Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 7844. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: EM64W-G09RevD.01 13-Apr-2013 23-May-2019 ****************************************** %chk=\\icnas2.cc.ic.ac.uk\zl4817\Desktop\ICL\isomers\LZY_isomer_B.chk Default route: MaxDisk=10GB -------------------------------------------------------- # freq b3lyp/6-31g(d,p) pop=(nbo,full) geom=connectivity -------------------------------------------------------- 1/10=4,30=1,38=1,57=2/1,3; 2/12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=101,11=2,16=1,25=1,30=1,71=2,74=-5,140=1/1,2,3; 4//1; 5/5=2,38=5,98=1/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1/2; 6/7=3,18=1,28=1,40=1/1,7; 7/8=1,10=1,25=1/1,2,3,16; 1/10=4,30=1/3; 99//99; ------------- ISOMER B FREQ ------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 Al 1.26956 0.50565 -0.17742 Al -1.94477 -0.22531 -0.22586 Br -0.38954 0.22126 1.59294 Br 2.78041 -1.13598 -0.12116 Cl 1.81112 2.52776 -0.32198 Cl -0.30127 0.05166 -1.80097 Cl -2.56293 -2.22936 -0.20217 Cl -3.35298 1.31881 -0.39663 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 Number of steps in this run= 2 maximum allowed number of steps= 2. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 1.269564 0.505651 -0.177423 2 13 0 -1.944766 -0.225308 -0.225855 3 35 0 -0.389535 0.221258 1.592942 4 35 0 2.780413 -1.135984 -0.121161 5 17 0 1.811125 2.527761 -0.321985 6 17 0 -0.301274 0.051661 -1.800972 7 17 0 -2.562935 -2.229358 -0.202167 8 17 0 -3.352980 1.318815 -0.396625 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 3.296751 0.000000 3 Br 2.442884 2.434376 0.000000 4 Br 2.231770 4.813274 3.850821 0.000000 5 Cl 2.098360 4.657826 3.718845 3.795112 0.000000 6 Cl 2.304246 2.293201 3.399295 3.705275 3.575011 7 Cl 4.708390 2.097358 3.735184 5.454667 6.463508 8 Cl 4.698638 2.096794 3.734302 6.612142 5.304253 6 7 8 6 Cl 0.000000 7 Cl 3.588082 0.000000 8 Cl 3.590373 3.640263 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 1.269564 0.505651 -0.177423 2 13 0 -1.944766 -0.225308 -0.225855 3 35 0 -0.389535 0.221258 1.592942 4 35 0 2.780413 -1.135984 -0.121161 5 17 0 1.811125 2.527761 -0.321985 6 17 0 -0.301274 0.051661 -1.800972 7 17 0 -2.562935 -2.229358 -0.202167 8 17 0 -3.352980 1.318815 -0.396625 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5622972 0.2753595 0.2430115 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1736.3828866305 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 174 RedAO= T EigKep= 6.79D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 ExpMin= 5.57D-02 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=118699583. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -7469.53986468 A.U. after 13 cycles NFock= 13 Conv=0.14D-08 -V/T= 2.0053 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 174 NBasis= 174 NAE= 82 NBE= 82 NFC= 0 NFV= 0 NROrb= 174 NOA= 82 NOB= 82 NVA= 92 NVB= 92 **** Warning!!: The largest alpha MO coefficient is 0.16429495D+02 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 9 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=11111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=118590666. There are 27 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 24 vectors produced by pass 0 Test12= 2.79D-14 3.70D-09 XBig12= 1.01D+02 2.98D+00. AX will form 24 AO Fock derivatives at one time. 24 vectors produced by pass 1 Test12= 2.79D-14 3.70D-09 XBig12= 1.14D+01 6.94D-01. 24 vectors produced by pass 2 Test12= 2.79D-14 3.70D-09 XBig12= 1.86D-01 9.04D-02. 24 vectors produced by pass 3 Test12= 2.79D-14 3.70D-09 XBig12= 9.81D-03 1.40D-02. 24 vectors produced by pass 4 Test12= 2.79D-14 3.70D-09 XBig12= 3.88D-05 8.49D-04. 24 vectors produced by pass 5 Test12= 2.79D-14 3.70D-09 XBig12= 1.21D-07 5.01D-05. 10 vectors produced by pass 6 Test12= 2.79D-14 3.70D-09 XBig12= 2.39D-10 2.10D-06. 3 vectors produced by pass 7 Test12= 2.79D-14 3.70D-09 XBig12= 3.48D-13 6.98D-08. InvSVY: IOpt=1 It= 1 EMax= 3.01D-15 Solved reduced A of dimension 157 with 27 vectors. Isotropic polarizability for W= 0.000000 111.39 Bohr**3. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -482.98219-482.92867-101.60328-101.55065-101.55032 Alpha occ. eigenvalues -- -101.55010 -61.94421 -61.89113 -56.46055 -56.46018 Alpha occ. eigenvalues -- -56.45877 -56.40804 -56.40623 -56.40617 -56.16972 Alpha occ. eigenvalues -- -56.16797 -9.52363 -9.46923 -9.46890 -9.46869 Alpha occ. eigenvalues -- -8.65311 -8.60045 -7.28246 -7.28152 -7.27813 Alpha occ. eigenvalues -- -7.22961 -7.22928 -7.22907 -7.22499 -7.22478 Alpha occ. eigenvalues -- -7.22467 -7.22446 -7.22444 -7.22423 -6.59955 Alpha occ. eigenvalues -- -6.59918 -6.59395 -6.54946 -6.54285 -6.54259 Alpha occ. eigenvalues -- -4.24706 -4.24560 -2.80163 -2.80077 -2.80023 Alpha occ. eigenvalues -- -2.79927 -2.79895 -2.79749 -2.71775 -2.71759 Alpha occ. eigenvalues -- -2.71338 -2.71310 -2.71186 -2.66593 -2.66399 Alpha occ. eigenvalues -- -2.66378 -2.65849 -2.65849 -0.89355 -0.84081 Alpha occ. eigenvalues -- -0.83361 -0.82746 -0.82523 -0.78253 -0.49964 Alpha occ. eigenvalues -- -0.49466 -0.44289 -0.42666 -0.42189 -0.40134 Alpha occ. eigenvalues -- -0.39450 -0.39310 -0.38313 -0.36523 -0.35342 Alpha occ. eigenvalues -- -0.35176 -0.34559 -0.34374 -0.33910 -0.33362 Alpha occ. eigenvalues -- -0.32169 -0.31810 Alpha virt. eigenvalues -- -0.05465 -0.04640 -0.02673 0.01620 0.02223 Alpha virt. eigenvalues -- 0.03107 0.03606 0.04837 0.08015 0.10853 Alpha virt. eigenvalues -- 0.13332 0.14519 0.15079 0.16186 0.18209 Alpha virt. eigenvalues -- 0.19941 0.23565 0.27311 0.30211 0.31344 Alpha virt. eigenvalues -- 0.31479 0.33160 0.33769 0.35309 0.36127 Alpha virt. eigenvalues -- 0.37472 0.39166 0.40087 0.40831 0.43192 Alpha virt. eigenvalues -- 0.43539 0.44215 0.44406 0.46516 0.48053 Alpha virt. eigenvalues -- 0.48731 0.49952 0.51135 0.51681 0.52786 Alpha virt. eigenvalues -- 0.53903 0.54940 0.55833 0.56339 0.57680 Alpha virt. eigenvalues -- 0.59885 0.60278 0.62208 0.63195 0.64357 Alpha virt. eigenvalues -- 0.64614 0.65524 0.67488 0.67807 0.69327 Alpha virt. eigenvalues -- 0.70662 0.74563 0.81941 0.82901 0.85299 Alpha virt. eigenvalues -- 0.85596 0.85638 0.85808 0.86012 0.86433 Alpha virt. eigenvalues -- 0.88590 0.92945 0.93476 0.94554 0.95070 Alpha virt. eigenvalues -- 0.95941 0.98115 0.98930 1.01423 1.03996 Alpha virt. eigenvalues -- 1.08232 1.11794 1.23777 1.25750 1.28229 Alpha virt. eigenvalues -- 1.65277 1.70103 2.03522 2.06051 4.22382 Alpha virt. eigenvalues -- 4.25649 4.27587 4.28181 8.71748 8.76936 Alpha virt. eigenvalues -- 75.91145 76.87048 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -482.98219-482.92867-101.60328-101.55065-101.55032 1 1 Al 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 2 2S -0.00001 0.00001 -0.00001 -0.00002 0.00000 3 2PX -0.00001 0.00001 0.00001 0.00000 0.00000 4 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 5 2PZ 0.00004 0.00000 0.00001 0.00000 0.00000 6 3S 0.00012 -0.00047 -0.00003 0.00013 0.00002 7 3PX -0.00021 0.00005 -0.00005 0.00001 -0.00001 8 3PY -0.00005 0.00000 -0.00002 0.00008 0.00000 9 3PZ -0.00002 0.00000 -0.00006 -0.00001 0.00000 10 4S 0.00214 0.00365 -0.00011 -0.00018 -0.00005 11 4PX -0.00079 0.00093 0.00002 -0.00004 0.00005 12 4PY -0.00021 -0.00242 0.00001 -0.00023 -0.00006 13 4PZ 0.00089 0.00009 0.00007 0.00002 0.00000 14 5XX -0.00005 0.00007 0.00005 -0.00005 0.00000 15 5YY 0.00002 0.00000 -0.00001 0.00002 0.00000 16 5ZZ -0.00012 0.00010 0.00005 -0.00005 0.00000 17 5XY -0.00001 0.00011 0.00002 0.00003 0.00000 18 5XZ 0.00011 -0.00001 0.00006 0.00000 0.00000 19 5YZ 0.00002 0.00000 0.00002 -0.00001 0.00000 20 2 Al 1S 0.00000 0.00000 0.00000 0.00000 0.00000 21 2S 0.00001 0.00002 -0.00001 0.00000 -0.00002 22 2PX 0.00001 0.00001 -0.00001 0.00000 0.00000 23 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00004 0.00000 0.00001 0.00000 0.00000 25 3S 0.00016 0.00001 -0.00002 0.00002 0.00013 26 3PX 0.00021 -0.00008 0.00006 0.00002 -0.00001 27 3PY 0.00005 -0.00001 0.00001 0.00000 -0.00008 28 3PZ -0.00001 0.00003 -0.00005 0.00000 0.00000 29 4S 0.00191 -0.00049 -0.00012 -0.00006 -0.00021 30 4PX 0.00069 -0.00035 -0.00003 -0.00005 0.00005 31 4PY 0.00023 0.00077 0.00000 0.00005 0.00022 32 4PZ 0.00094 -0.00002 0.00007 0.00000 0.00000 33 5XX -0.00004 0.00000 0.00005 0.00000 -0.00005 34 5YY 0.00002 0.00002 -0.00001 0.00000 0.00002 35 5ZZ -0.00013 0.00003 0.00005 0.00000 -0.00005 36 5XY -0.00003 -0.00002 0.00001 0.00000 0.00003 37 5XZ -0.00011 0.00001 -0.00006 0.00000 0.00000 38 5YZ -0.00003 0.00000 -0.00001 0.00000 0.00000 39 3 Br 1S 0.99491 -0.00069 0.00000 0.00000 0.00000 40 2S 0.03265 0.00006 -0.00001 -0.00001 -0.00001 41 3S -0.04448 -0.00024 0.00003 0.00002 0.00002 42 4S -0.04487 -0.00028 0.00003 0.00003 0.00003 43 5S -0.02268 0.00031 0.00002 0.00001 0.00001 44 6S -0.02875 -0.00155 0.00006 0.00004 0.00004 45 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 46 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 47 7PZ -0.00003 0.00000 0.00000 0.00000 0.00000 48 8PX 0.00000 -0.00001 0.00000 0.00000 0.00000 49 8PY 0.00000 0.00001 0.00000 0.00000 0.00000 50 8PZ 0.00009 -0.00001 0.00000 0.00000 0.00000 51 9PX 0.00002 0.00008 0.00000 0.00001 -0.00001 52 9PY -0.00003 -0.00005 0.00000 0.00000 0.00000 53 9PZ -0.00049 0.00002 0.00000 -0.00001 -0.00001 54 10PX -0.00006 -0.00046 0.00000 -0.00001 0.00000 55 10PY 0.00007 0.00020 0.00000 0.00001 0.00000 56 10PZ 0.00141 0.00011 0.00000 0.00000 0.00000 57 11XX 0.04294 0.00029 -0.00004 -0.00003 -0.00003 58 11YY 0.04292 0.00028 -0.00004 -0.00003 -0.00002 59 11ZZ 0.04293 0.00029 -0.00003 -0.00003 -0.00003 60 11XY 0.00000 -0.00001 0.00000 0.00000 0.00000 61 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 12XX 0.01286 0.00025 -0.00001 -0.00001 -0.00001 64 12YY 0.01298 0.00037 -0.00002 -0.00001 -0.00001 65 12ZZ 0.01286 0.00030 -0.00005 0.00000 0.00000 66 12XY -0.00003 0.00006 0.00000 0.00000 0.00000 67 12XZ 0.00001 0.00004 0.00000 0.00000 0.00000 68 12YZ -0.00001 -0.00004 0.00000 0.00000 0.00000 69 4 Br 1S 0.00072 0.99489 0.00000 0.00000 0.00000 70 2S 0.00011 0.03257 -0.00001 0.00001 0.00000 71 3S -0.00031 -0.04424 0.00002 -0.00002 -0.00001 72 4S -0.00035 -0.04459 0.00003 -0.00001 -0.00001 73 5S 0.00020 -0.02263 0.00002 0.00004 0.00002 74 6S -0.00137 -0.02833 0.00004 -0.00017 -0.00007 75 7PX 0.00000 -0.00002 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00002 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00009 0.00000 0.00000 0.00000 79 8PY 0.00001 -0.00007 0.00000 0.00000 0.00000 80 8PZ -0.00001 0.00000 0.00000 0.00000 0.00000 81 9PX -0.00004 -0.00045 -0.00001 -0.00001 0.00000 82 9PY -0.00003 0.00036 0.00000 0.00000 0.00000 83 9PZ 0.00004 -0.00001 0.00000 0.00000 0.00000 84 10PX 0.00031 0.00129 0.00001 0.00003 -0.00001 85 10PY -0.00004 -0.00104 0.00001 0.00002 -0.00001 86 10PZ -0.00018 0.00003 0.00000 0.00000 0.00000 87 11XX 0.00035 0.04265 -0.00003 0.00002 0.00001 88 11YY 0.00035 0.04264 -0.00003 0.00002 0.00001 89 11ZZ 0.00035 0.04264 -0.00003 0.00002 0.00001 90 11XY 0.00000 -0.00001 0.00000 0.00000 0.00000 91 11XZ 0.00001 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00001 0.00000 0.00000 0.00000 0.00000 93 12XX 0.00025 0.01266 -0.00001 0.00004 0.00002 94 12YY 0.00031 0.01274 0.00000 0.00004 0.00001 95 12ZZ 0.00033 0.01274 -0.00001 0.00005 0.00001 96 12XY 0.00001 0.00007 0.00000 -0.00001 0.00000 97 12XZ -0.00003 0.00000 -0.00001 0.00000 0.00000 98 12YZ -0.00004 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00001 0.99600 -0.00009 100 2S 0.00002 -0.00001 0.00000 0.01516 0.00000 101 2PX 0.00000 -0.00002 0.00000 -0.00001 0.00000 102 2PY -0.00001 0.00000 0.00000 -0.00004 0.00000 103 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 104 3S 0.00008 0.00001 -0.00001 -0.02106 0.00000 105 3PX -0.00002 0.00010 -0.00001 0.00002 0.00000 106 3PY 0.00004 -0.00003 -0.00001 0.00006 0.00000 107 3PZ 0.00003 -0.00001 0.00000 0.00000 0.00000 108 4S -0.00049 0.00022 0.00002 0.00184 0.00005 109 4PX 0.00021 -0.00035 0.00001 -0.00003 -0.00001 110 4PY 0.00008 0.00027 0.00000 -0.00006 -0.00001 111 4PZ -0.00017 0.00001 0.00000 0.00000 0.00000 112 5XX 0.00001 -0.00001 0.00001 0.00753 -0.00001 113 5YY 0.00001 -0.00008 0.00001 0.00751 -0.00001 114 5ZZ 0.00003 -0.00004 0.00000 0.00753 0.00000 115 5XY -0.00002 0.00002 0.00000 -0.00001 0.00000 116 5XZ -0.00001 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00001 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.99600 -0.00001 -0.00001 119 2S 0.00006 0.00002 0.01517 0.00000 0.00000 120 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 122 2PZ -0.00002 0.00001 0.00004 0.00000 0.00000 123 3S 0.00014 0.00009 -0.02104 -0.00001 -0.00001 124 3PX 0.00000 0.00006 0.00000 0.00001 0.00000 125 3PY 0.00000 -0.00003 0.00000 0.00000 0.00000 126 3PZ 0.00009 -0.00005 -0.00004 0.00001 0.00001 127 4S -0.00129 -0.00062 0.00169 0.00002 0.00002 128 4PX -0.00002 -0.00046 0.00000 -0.00001 0.00000 129 4PY -0.00003 0.00016 0.00000 0.00000 0.00000 130 4PZ -0.00058 -0.00004 -0.00001 -0.00001 -0.00001 131 5XX 0.00010 0.00001 0.00754 0.00001 0.00001 132 5YY 0.00010 0.00004 0.00756 0.00000 0.00000 133 5ZZ 0.00014 0.00002 0.00753 0.00001 0.00001 134 5XY 0.00000 0.00002 -0.00001 0.00000 0.00000 135 5XZ 0.00000 -0.00003 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00001 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00001 0.00009 0.99600 138 2S 0.00002 -0.00003 0.00000 0.00000 0.01516 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 140 2PY 0.00001 0.00000 0.00000 0.00000 0.00004 141 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 142 3S 0.00008 -0.00005 -0.00001 -0.00001 -0.02106 143 3PX 0.00002 0.00002 0.00001 0.00000 -0.00002 144 3PY -0.00004 -0.00001 0.00001 0.00000 -0.00006 145 3PZ 0.00004 0.00000 0.00000 0.00000 0.00000 146 4S -0.00045 0.00058 0.00002 0.00005 0.00184 147 4PX -0.00020 0.00004 -0.00001 0.00001 0.00003 148 4PY -0.00009 0.00008 0.00000 0.00001 0.00006 149 4PZ -0.00019 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 -0.00006 0.00000 0.00000 0.00753 151 5YY 0.00001 -0.00006 0.00001 0.00000 0.00751 152 5ZZ 0.00003 -0.00005 0.00000 0.00000 0.00753 153 5XY -0.00002 0.00000 0.00000 0.00000 -0.00001 154 5XZ 0.00001 0.00000 0.00000 0.00000 0.00000 155 5YZ -0.00001 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00001 -0.00003 0.00068 157 2S 0.00002 0.00002 0.00000 0.00000 0.00001 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 160 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 161 3S 0.00008 0.00005 -0.00001 0.00000 -0.00002 162 3PX 0.00000 0.00000 0.00001 0.00000 0.00001 163 3PY 0.00005 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00004 0.00000 0.00000 0.00000 0.00000 165 4S -0.00049 -0.00047 0.00002 -0.00002 -0.00002 166 4PX -0.00022 -0.00006 -0.00001 0.00001 -0.00002 167 4PY -0.00003 0.00004 -0.00001 0.00000 -0.00002 168 4PZ -0.00020 -0.00002 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00005 0.00001 0.00000 0.00001 170 5YY 0.00003 0.00005 0.00001 0.00000 0.00002 171 5ZZ 0.00003 0.00005 0.00000 0.00000 0.00002 172 5XY 0.00001 0.00001 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00002 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -101.55010 -61.94421 -61.89113 -56.46055 -56.46018 1 1 Al 1S 0.00000 0.00001 -0.00005 0.00005 -0.00010 2 2S 0.00000 -0.00005 0.00009 0.00051 -0.00003 3 2PX 0.00000 -0.00007 0.00009 0.00008 0.00006 4 2PY 0.00000 -0.00001 -0.00009 0.00002 0.00002 5 2PZ 0.00000 0.00035 0.00001 0.00000 0.00001 6 3S 0.00002 0.00107 -0.00390 0.00260 0.00233 7 3PX -0.00002 -0.00185 0.00044 -0.00007 -0.00190 8 3PY 0.00000 -0.00044 -0.00002 0.00001 -0.00038 9 3PZ 0.00000 -0.00014 -0.00002 -0.00087 0.00145 10 4S -0.00008 0.01844 0.03116 -0.01899 0.00321 11 4PX 0.00002 -0.00675 0.00804 0.00780 -0.00205 12 4PY 0.00008 -0.00186 -0.02074 0.00206 -0.00034 13 4PZ 0.00000 0.00761 0.00071 -0.00318 -0.00009 14 5XX 0.00000 -0.00045 0.00057 0.00021 0.00006 15 5YY 0.00000 0.00018 -0.00001 -0.00026 -0.00029 16 5ZZ 0.00000 -0.00106 0.00084 -0.00026 -0.00057 17 5XY 0.00000 -0.00012 0.00098 0.00019 0.00009 18 5XZ 0.00000 0.00096 -0.00011 0.00017 -0.00014 19 5YZ 0.00000 0.00016 -0.00003 0.00006 -0.00005 20 2 Al 1S 0.00000 0.00001 -0.00001 -0.00006 -0.00010 21 2S -0.00002 0.00004 0.00020 -0.00048 -0.00001 22 2PX 0.00000 0.00008 0.00011 0.00009 -0.00006 23 2PY 0.00000 0.00004 0.00002 0.00002 -0.00001 24 2PZ 0.00000 0.00035 -0.00001 0.00001 0.00001 25 3S 0.00013 0.00144 0.00008 -0.00216 0.00256 26 3PX -0.00005 0.00180 -0.00067 -0.00007 0.00182 27 3PY 0.00007 0.00039 -0.00009 0.00003 0.00049 28 3PZ -0.00001 -0.00004 0.00022 0.00089 0.00148 29 4S -0.00020 0.01632 -0.00441 0.01833 0.00282 30 4PX 0.00014 0.00594 -0.00311 0.00774 0.00175 31 4PY -0.00017 0.00201 0.00655 0.00176 0.00035 32 4PZ 0.00002 0.00803 -0.00022 0.00342 -0.00011 33 5XX -0.00002 -0.00032 0.00004 -0.00034 0.00002 34 5YY -0.00001 0.00018 0.00018 0.00015 -0.00034 35 5ZZ -0.00005 -0.00108 0.00024 0.00018 -0.00061 36 5XY -0.00005 -0.00021 -0.00021 -0.00011 0.00011 37 5XZ 0.00001 -0.00094 0.00008 0.00013 0.00014 38 5YZ -0.00001 -0.00029 0.00001 0.00003 0.00002 39 3 Br 1S 0.00000 -0.42098 0.00290 -0.00001 0.00008 40 2S -0.00001 1.16977 -0.00740 0.00002 0.00173 41 3S 0.00002 -0.28822 0.00046 -0.00002 -0.00464 42 4S 0.00003 -0.40653 0.00152 -0.00002 -0.00314 43 5S 0.00001 -0.19197 0.00445 -0.00012 0.00677 44 6S 0.00006 -0.24507 -0.01118 0.00026 -0.02902 45 7PX 0.00000 0.00001 0.00001 0.95285 -0.03636 46 7PY 0.00000 -0.00002 0.00000 0.21420 0.04254 47 7PZ 0.00000 -0.00053 0.00001 0.02618 0.97542 48 8PX 0.00000 -0.00003 -0.00011 0.06016 -0.00229 49 8PY 0.00000 0.00004 0.00007 0.01352 0.00268 50 8PZ 0.00000 0.00075 -0.00007 0.00165 0.06141 51 9PX -0.00001 0.00017 0.00073 -0.02030 0.00076 52 9PY 0.00000 -0.00022 -0.00042 -0.00454 -0.00086 53 9PZ -0.00001 -0.00412 0.00024 -0.00053 -0.01992 54 10PX 0.00001 -0.00056 -0.00399 0.01610 -0.00055 55 10PY 0.00001 0.00063 0.00172 0.00355 0.00056 56 10PZ 0.00000 0.01207 0.00086 0.00032 0.01337 57 11XX -0.00003 0.36922 -0.00092 0.00001 0.00450 58 11YY -0.00003 0.36906 -0.00103 0.00002 0.00438 59 11ZZ -0.00003 0.36922 -0.00096 0.00002 0.00461 60 11XY 0.00000 0.00004 -0.00005 0.00001 0.00003 61 11XZ 0.00000 -0.00001 -0.00002 0.00015 -0.00001 62 11YZ 0.00000 0.00001 0.00004 0.00003 0.00001 63 12XX -0.00001 0.10928 0.00117 0.00005 0.00739 64 12YY -0.00001 0.11028 0.00220 -0.00007 0.00826 65 12ZZ -0.00001 0.10927 0.00162 -0.00007 0.00636 66 12XY 0.00000 -0.00023 0.00053 -0.00008 -0.00024 67 12XZ 0.00000 0.00005 0.00036 -0.00131 0.00006 68 12YZ 0.00000 -0.00008 -0.00034 -0.00028 -0.00010 69 4 Br 1S 0.00000 -0.00275 -0.42105 -0.00003 -0.00002 70 2S -0.00001 0.00830 1.16935 -0.00013 -0.00009 71 3S 0.00002 -0.00340 -0.28685 0.00052 0.00037 72 4S 0.00002 -0.00396 -0.40551 0.00029 0.00024 73 5S -0.00004 0.00117 -0.19213 -0.00262 0.00018 74 6S 0.00015 -0.01252 -0.24179 0.00848 0.00048 75 7PX 0.00000 0.00000 -0.00039 -0.00127 -0.00033 76 7PY 0.00000 0.00000 0.00043 -0.00047 0.00095 77 7PZ 0.00000 0.00000 -0.00001 0.00067 0.00074 78 8PX 0.00000 0.00004 0.00069 -0.00014 -0.00003 79 8PY 0.00000 0.00007 -0.00056 -0.00005 0.00010 80 8PZ 0.00000 -0.00007 0.00002 0.00007 0.00008 81 9PX 0.00000 -0.00033 -0.00379 0.00046 0.00001 82 9PY 0.00000 -0.00026 0.00310 0.00005 -0.00021 83 9PZ 0.00000 0.00037 -0.00009 -0.00020 -0.00016 84 10PX -0.00002 0.00270 0.01106 -0.00229 0.00046 85 10PY 0.00001 -0.00034 -0.00891 0.00048 0.00036 86 10PZ 0.00000 -0.00155 0.00025 0.00076 0.00019 87 11XX -0.00002 0.00402 0.36787 -0.00051 -0.00033 88 11YY -0.00002 0.00398 0.36780 -0.00047 -0.00036 89 11ZZ -0.00002 0.00395 0.36777 -0.00048 -0.00036 90 11XY 0.00000 0.00001 -0.00010 0.00003 0.00000 91 11XZ 0.00000 0.00006 0.00000 0.00000 0.00002 92 11YZ 0.00000 0.00005 0.00000 -0.00003 0.00001 93 12XX -0.00003 0.00244 0.10781 -0.00127 -0.00050 94 12YY -0.00003 0.00295 0.10842 -0.00167 -0.00021 95 12ZZ -0.00003 0.00313 0.10846 -0.00159 -0.00029 96 12XY 0.00000 0.00009 0.00059 -0.00026 0.00002 97 12XZ 0.00000 -0.00027 0.00001 -0.00002 -0.00009 98 12YZ 0.00000 -0.00037 -0.00001 0.00021 -0.00007 99 5 Cl 1S 0.00003 0.00001 -0.00001 -0.00001 0.00000 100 2S 0.00000 0.00015 -0.00010 -0.00017 0.00001 101 2PX 0.00000 0.00003 -0.00015 -0.00003 0.00000 102 2PY 0.00000 -0.00007 0.00004 0.00002 -0.00003 103 2PZ 0.00000 -0.00005 0.00001 0.00002 0.00003 104 3S 0.00000 0.00070 0.00003 -0.00038 0.00006 105 3PX 0.00001 -0.00019 0.00084 0.00021 -0.00003 106 3PY 0.00000 0.00035 -0.00024 -0.00004 0.00015 107 3PZ 0.00000 0.00025 -0.00005 -0.00013 -0.00017 108 4S -0.00002 -0.00416 0.00192 0.00337 -0.00044 109 4PX -0.00001 0.00182 -0.00305 -0.00144 0.00055 110 4PY 0.00000 0.00074 0.00231 -0.00090 -0.00010 111 4PZ 0.00000 -0.00148 0.00007 0.00077 0.00023 112 5XX 0.00000 0.00007 -0.00010 -0.00027 -0.00006 113 5YY 0.00000 0.00011 -0.00067 -0.00026 0.00000 114 5ZZ 0.00000 0.00023 -0.00036 -0.00027 0.00000 115 5XY 0.00000 -0.00016 0.00017 0.00012 -0.00008 116 5XZ 0.00000 -0.00012 -0.00002 0.00001 -0.00002 117 5YZ 0.00000 0.00010 0.00000 -0.00008 0.00002 118 6 Cl 1S -0.00001 0.00003 0.00002 0.00000 0.00001 119 2S 0.00000 0.00050 0.00019 -0.00001 0.00013 120 2PX 0.00000 -0.00001 -0.00009 0.00009 0.00000 121 2PY 0.00000 -0.00001 0.00005 0.00002 0.00000 122 2PZ 0.00000 -0.00016 0.00009 0.00000 0.00006 123 3S -0.00001 0.00124 0.00079 -0.00003 0.00049 124 3PX -0.00001 0.00004 0.00054 -0.00050 0.00002 125 3PY 0.00000 0.00004 -0.00029 -0.00010 -0.00001 126 3PZ 0.00001 0.00079 -0.00044 0.00000 -0.00030 127 4S 0.00003 -0.01105 -0.00524 0.00021 -0.00377 128 4PX 0.00000 -0.00020 -0.00394 0.00264 -0.00002 129 4PY 0.00000 -0.00024 0.00137 0.00054 -0.00004 130 4PZ -0.00001 -0.00500 -0.00030 0.00007 -0.00037 131 5XX 0.00000 0.00078 0.00004 -0.00002 0.00017 132 5YY 0.00000 0.00083 0.00037 -0.00002 0.00012 133 5ZZ 0.00001 0.00113 0.00017 -0.00002 0.00025 134 5XY 0.00000 0.00000 0.00018 0.00000 0.00001 135 5XZ 0.00000 -0.00002 -0.00022 0.00010 0.00000 136 5YZ 0.00000 0.00002 0.00010 0.00002 0.00001 137 7 Cl 1S -0.00068 0.00001 -0.00001 0.00001 0.00000 138 2S -0.00001 0.00015 -0.00023 0.00017 0.00001 139 2PX 0.00000 -0.00003 -0.00004 -0.00004 0.00000 140 2PY 0.00000 0.00007 0.00001 0.00002 0.00003 141 2PZ 0.00000 -0.00007 0.00000 -0.00002 0.00003 142 3S 0.00001 0.00067 -0.00049 0.00039 0.00005 143 3PX 0.00001 0.00018 0.00016 0.00024 0.00003 144 3PY 0.00001 -0.00032 -0.00006 -0.00003 -0.00015 145 3PZ 0.00000 0.00034 -0.00001 0.00015 -0.00015 146 4S -0.00003 -0.00385 0.00505 -0.00349 -0.00037 147 4PX -0.00003 -0.00174 0.00034 -0.00154 -0.00050 148 4PY 0.00001 -0.00074 0.00070 -0.00092 0.00011 149 4PZ 0.00000 -0.00165 0.00002 -0.00079 0.00019 150 5XX 0.00000 0.00003 -0.00049 0.00028 -0.00006 151 5YY 0.00001 0.00009 -0.00050 0.00028 0.00000 152 5ZZ 0.00001 0.00026 -0.00039 0.00031 0.00001 153 5XY 0.00000 -0.00015 0.00004 -0.00012 -0.00007 154 5XZ 0.00000 0.00011 0.00000 0.00001 0.00002 155 5YZ 0.00000 -0.00012 0.00000 -0.00009 -0.00003 156 8 Cl 1S 0.99600 0.00002 0.00001 0.00001 0.00000 157 2S 0.01516 0.00016 0.00020 0.00016 0.00001 158 2PX 0.00003 0.00000 0.00001 -0.00003 0.00001 159 2PY -0.00003 -0.00008 0.00000 -0.00003 -0.00003 160 2PZ 0.00000 -0.00006 0.00000 -0.00002 0.00003 161 3S -0.02106 0.00071 0.00045 0.00036 0.00005 162 3PX -0.00004 0.00002 0.00000 0.00019 -0.00003 163 3PY 0.00004 0.00040 -0.00004 0.00015 0.00014 164 3PZ 0.00000 0.00030 0.00002 0.00014 -0.00016 165 4S 0.00184 -0.00419 -0.00399 -0.00326 -0.00032 166 4PX 0.00005 -0.00191 -0.00050 -0.00172 -0.00041 167 4PY -0.00005 -0.00022 0.00033 0.00008 -0.00030 168 4PZ 0.00001 -0.00169 -0.00013 -0.00083 0.00022 169 5XX 0.00752 -0.00002 0.00039 0.00018 -0.00010 170 5YY 0.00752 0.00024 0.00043 0.00035 0.00004 171 5ZZ 0.00753 0.00026 0.00039 0.00027 0.00000 172 5XY 0.00002 0.00007 0.00006 0.00007 0.00002 173 5XZ 0.00000 0.00003 0.00000 -0.00004 0.00000 174 5YZ 0.00000 0.00016 0.00001 0.00008 0.00003 11 12 13 14 15 O O O O O Eigenvalues -- -56.45877 -56.40804 -56.40623 -56.40617 -56.16972 1 1 Al 1S 0.00000 0.00021 0.00000 0.00000 0.99681 2 2S -0.00001 0.00017 -0.00033 -0.00002 0.01264 3 2PX -0.00001 -0.00026 -0.00001 0.00000 -0.00006 4 2PY 0.00006 0.00027 0.00004 0.00000 -0.00001 5 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 6 3S -0.00001 -0.00546 -0.00280 -0.00015 -0.02688 7 3PX 0.00010 -0.00043 0.00019 0.00007 0.00021 8 3PY -0.00046 0.00017 -0.00045 -0.00001 -0.00001 9 3PZ 0.00002 -0.00002 -0.00001 -0.00006 0.00001 10 4S 0.00053 -0.00999 0.00982 0.00063 0.00277 11 4PX 0.00088 0.00078 -0.00827 -0.00049 -0.00008 12 4PY -0.00355 0.00379 -0.00503 -0.00041 -0.00001 13 4PZ 0.00021 -0.00013 0.00068 -0.00398 -0.00002 14 5XX -0.00005 0.00238 0.00023 -0.00002 0.00917 15 5YY -0.00002 0.00267 0.00018 0.00002 0.00923 16 5ZZ 0.00000 0.00140 0.00045 0.00001 0.00931 17 5XY 0.00012 -0.00151 -0.00019 0.00001 0.00000 18 5XZ 0.00005 0.00011 -0.00001 0.00004 0.00002 19 5YZ -0.00024 -0.00002 0.00001 0.00021 0.00001 20 2 Al 1S 0.00000 -0.00004 0.00002 0.00000 -0.00117 21 2S 0.00000 -0.00013 0.00023 0.00001 -0.00003 22 2PX -0.00001 -0.00005 0.00002 0.00001 -0.00001 23 2PY 0.00006 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00001 -0.00002 0.00000 25 3S 0.00000 -0.00049 0.00137 0.00005 -0.00001 26 3PX 0.00011 0.00026 0.00004 -0.00008 -0.00012 27 3PY -0.00048 -0.00003 0.00000 0.00002 -0.00002 28 3PZ 0.00003 -0.00003 0.00000 0.00021 -0.00003 29 4S -0.00006 0.00353 -0.00744 -0.00072 -0.00049 30 4PX 0.00065 0.00192 -0.00401 -0.00038 -0.00036 31 4PY -0.00299 -0.00087 -0.00070 -0.00005 -0.00009 32 4PZ 0.00017 0.00013 -0.00007 0.00030 -0.00008 33 5XX 0.00004 0.00011 -0.00009 -0.00003 0.00003 34 5YY -0.00005 -0.00005 0.00000 0.00000 -0.00002 35 5ZZ 0.00002 -0.00010 0.00025 0.00002 -0.00009 36 5XY -0.00008 0.00004 0.00004 0.00002 0.00002 37 5XZ 0.00006 0.00001 -0.00005 0.00013 0.00000 38 5YZ -0.00025 0.00001 0.00001 -0.00003 0.00000 39 3 Br 1S 0.00000 0.00001 0.00003 -0.00002 0.00000 40 2S 0.00001 0.00004 0.00011 -0.00009 -0.00003 41 3S -0.00004 -0.00016 -0.00044 0.00034 0.00012 42 4S -0.00003 -0.00013 -0.00026 0.00023 -0.00005 43 5S 0.00010 -0.00128 0.00195 -0.00093 -0.00072 44 6S -0.00036 0.00316 -0.00671 0.00360 0.00245 45 7PX -0.21273 -0.00039 0.00136 -0.00028 -0.00004 46 7PY 0.95236 -0.00067 0.00009 -0.00117 0.00000 47 7PZ -0.04947 -0.00090 -0.00031 -0.00078 0.00015 48 8PX -0.01335 -0.00001 0.00002 0.00000 0.00001 49 8PY 0.05976 -0.00001 0.00000 -0.00002 0.00000 50 8PZ -0.00310 -0.00002 0.00000 -0.00002 -0.00002 51 9PX 0.00412 -0.00019 0.00037 -0.00011 0.00004 52 9PY -0.01834 -0.00010 0.00000 -0.00022 0.00002 53 9PZ 0.00095 -0.00011 -0.00013 -0.00015 0.00009 54 10PX -0.00225 0.00163 -0.00204 0.00070 0.00030 55 10PY 0.00969 0.00016 0.00007 0.00051 0.00002 56 10PZ -0.00047 -0.00044 0.00098 0.00020 -0.00071 57 11XX 0.00004 0.00015 0.00040 -0.00034 -0.00007 58 11YY 0.00004 0.00018 0.00041 -0.00033 -0.00006 59 11ZZ 0.00003 0.00016 0.00043 -0.00032 -0.00007 60 11XY 0.00000 0.00000 -0.00001 -0.00002 0.00000 61 11XZ -0.00001 0.00002 -0.00002 0.00000 0.00000 62 11YZ 0.00006 -0.00001 0.00000 0.00001 0.00000 63 12XX 0.00005 -0.00015 0.00125 -0.00059 -0.00044 64 12YY 0.00004 -0.00042 0.00119 -0.00064 -0.00054 65 12ZZ 0.00012 -0.00024 0.00105 -0.00077 -0.00044 66 12XY 0.00003 -0.00004 0.00013 0.00012 0.00002 67 12XZ 0.00013 -0.00027 0.00021 0.00000 -0.00003 68 12YZ -0.00054 0.00005 -0.00004 -0.00005 0.00000 69 4 Br 1S 0.00004 -0.00010 0.00005 0.00000 0.00001 70 2S 0.00014 -0.00198 0.00010 0.00001 0.00005 71 3S -0.00054 0.00541 -0.00053 -0.00006 -0.00020 72 4S -0.00035 0.00369 -0.00031 -0.00004 -0.00022 73 5S 0.00160 -0.00490 0.00159 0.00011 -0.00053 74 6S -0.00603 0.02755 -0.00562 -0.00044 0.00128 75 7PX -0.00016 -0.68485 0.69401 0.06269 0.00018 76 7PY 0.00058 0.69660 0.67980 0.08519 -0.00022 77 7PZ 0.00098 -0.01689 -0.10441 0.97136 0.00001 78 8PX -0.00001 -0.04317 0.04360 0.00394 -0.00002 79 8PY 0.00006 0.04385 0.04265 0.00534 0.00003 80 8PZ 0.00010 -0.00107 -0.00655 0.06088 0.00000 81 9PX -0.00003 0.01399 -0.01367 -0.00122 0.00010 82 9PY -0.00011 -0.01391 -0.01299 -0.00160 -0.00012 83 9PZ -0.00021 0.00034 0.00200 -0.01834 0.00000 84 10PX 0.00065 -0.00868 0.00842 0.00068 -0.00052 85 10PY -0.00007 0.00784 0.00641 0.00076 0.00058 86 10PZ 0.00029 -0.00020 -0.00105 0.00903 -0.00001 87 11XX 0.00053 -0.00527 0.00057 0.00006 0.00022 88 11YY 0.00052 -0.00524 0.00044 0.00005 0.00021 89 11ZZ 0.00052 -0.00525 0.00050 0.00006 0.00022 90 11XY 0.00001 0.00002 -0.00002 0.00000 0.00001 91 11XZ 0.00002 0.00000 0.00000 0.00002 0.00000 92 11YZ 0.00000 0.00000 0.00001 -0.00003 0.00000 93 12XX 0.00104 -0.00733 0.00051 0.00007 -0.00015 94 12YY 0.00119 -0.00759 0.00174 0.00016 -0.00017 95 12ZZ 0.00115 -0.00750 0.00120 0.00009 -0.00012 96 12XY -0.00004 -0.00011 0.00022 0.00000 0.00005 97 12XZ -0.00009 -0.00001 0.00003 -0.00029 0.00000 98 12YZ -0.00002 0.00001 -0.00006 0.00033 0.00000 99 5 Cl 1S -0.00001 0.00000 -0.00001 0.00000 0.00000 100 2S -0.00010 -0.00007 -0.00010 0.00000 -0.00002 101 2PX 0.00000 -0.00003 0.00008 0.00001 -0.00001 102 2PY 0.00004 0.00002 0.00003 0.00001 -0.00004 103 2PZ -0.00004 0.00000 -0.00001 0.00008 0.00000 104 3S -0.00024 -0.00009 -0.00027 0.00000 0.00020 105 3PX 0.00000 0.00010 -0.00043 -0.00003 0.00004 106 3PY -0.00017 -0.00004 -0.00012 -0.00004 0.00019 107 3PZ 0.00021 0.00000 0.00004 -0.00044 -0.00002 108 4S 0.00224 0.00131 0.00234 -0.00001 0.00086 109 4PX -0.00039 -0.00012 0.00153 0.00010 -0.00019 110 4PY 0.00001 -0.00087 -0.00025 0.00010 -0.00078 111 4PZ -0.00033 0.00004 -0.00009 0.00135 0.00006 112 5XX -0.00013 -0.00022 -0.00024 0.00000 -0.00009 113 5YY -0.00018 0.00000 -0.00011 -0.00001 -0.00030 114 5ZZ -0.00016 -0.00008 -0.00020 0.00001 -0.00008 115 5XY 0.00003 -0.00010 -0.00009 0.00000 -0.00006 116 5XZ 0.00002 0.00001 0.00001 -0.00002 0.00000 117 5YZ 0.00000 0.00000 0.00000 -0.00008 0.00002 118 6 Cl 1S 0.00000 0.00000 0.00001 0.00000 0.00000 119 2S 0.00001 -0.00008 0.00012 0.00005 -0.00004 120 2PX -0.00002 0.00000 -0.00004 -0.00001 0.00001 121 2PY 0.00010 0.00002 0.00000 -0.00004 0.00000 122 2PZ 0.00000 -0.00004 -0.00001 0.00004 0.00002 123 3S 0.00002 -0.00022 0.00028 0.00015 0.00008 124 3PX 0.00013 -0.00005 0.00022 0.00008 0.00002 125 3PY -0.00054 -0.00011 0.00000 0.00023 0.00000 126 3PZ 0.00002 0.00021 0.00006 -0.00022 -0.00006 127 4S -0.00012 0.00198 -0.00267 -0.00147 0.00099 128 4PX -0.00048 0.00140 -0.00163 -0.00086 0.00032 129 4PY 0.00179 0.00025 0.00004 -0.00059 0.00010 130 4PZ -0.00012 0.00023 -0.00088 0.00044 0.00062 131 5XX 0.00000 -0.00002 0.00022 0.00006 -0.00014 132 5YY 0.00002 -0.00013 0.00020 0.00006 -0.00011 133 5ZZ 0.00000 -0.00006 0.00013 0.00012 -0.00014 134 5XY 0.00000 -0.00002 0.00005 -0.00003 -0.00001 135 5XZ -0.00003 0.00011 -0.00007 -0.00002 -0.00006 136 5YZ 0.00010 -0.00002 0.00002 -0.00001 -0.00002 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00009 0.00006 -0.00002 0.00000 0.00001 139 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 140 2PY 0.00004 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00004 0.00000 0.00000 0.00000 0.00000 142 3S 0.00022 0.00011 -0.00003 0.00000 0.00001 143 3PX 0.00000 0.00001 -0.00006 0.00000 0.00001 144 3PY -0.00018 0.00001 -0.00001 0.00001 0.00002 145 3PZ -0.00018 0.00001 0.00000 -0.00002 0.00000 146 4S -0.00205 -0.00123 0.00057 0.00007 -0.00008 147 4PX -0.00038 -0.00029 0.00046 0.00005 0.00002 148 4PY 0.00002 -0.00019 0.00013 0.00001 -0.00004 149 4PZ 0.00029 -0.00003 0.00001 0.00000 0.00002 150 5XX 0.00011 0.00011 -0.00004 0.00000 0.00002 151 5YY 0.00016 0.00012 -0.00005 0.00000 0.00002 152 5ZZ 0.00015 0.00009 0.00001 0.00000 0.00003 153 5XY -0.00003 -0.00002 0.00003 0.00001 0.00001 154 5XZ 0.00002 0.00000 0.00000 0.00001 0.00000 155 5YZ -0.00001 0.00000 0.00000 -0.00001 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00009 -0.00002 -0.00003 0.00000 0.00001 158 2PX -0.00002 -0.00001 0.00002 0.00000 0.00000 159 2PY 0.00003 0.00000 0.00002 0.00000 0.00000 160 2PZ -0.00004 0.00000 0.00000 0.00000 0.00000 161 3S -0.00022 -0.00006 -0.00006 -0.00001 0.00001 162 3PX 0.00007 0.00004 -0.00014 -0.00001 0.00002 163 3PY -0.00014 0.00001 -0.00009 -0.00001 -0.00001 164 3PZ 0.00020 0.00000 0.00000 0.00002 0.00000 165 4S 0.00208 0.00045 0.00058 0.00008 -0.00008 166 4PX 0.00035 -0.00012 0.00067 0.00007 -0.00001 167 4PY 0.00014 -0.00009 0.00017 0.00001 0.00005 168 4PZ -0.00030 0.00000 0.00002 -0.00007 0.00001 169 5XX -0.00011 -0.00005 -0.00002 0.00000 0.00002 170 5YY -0.00018 -0.00004 -0.00007 -0.00001 0.00001 171 5ZZ -0.00015 -0.00006 -0.00003 0.00000 0.00003 172 5XY 0.00001 -0.00001 -0.00002 0.00000 0.00000 173 5XZ -0.00001 0.00000 0.00000 0.00000 0.00000 174 5YZ -0.00001 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 O O O O O Eigenvalues -- -56.16797 -9.52363 -9.46923 -9.46890 -9.46869 1 1 Al 1S 0.00117 0.00001 0.00000 0.00000 0.00000 2 2S 0.00000 -0.00008 -0.00007 0.00009 0.00008 3 2PX 0.00001 0.00002 0.00002 -0.00003 -0.00002 4 2PY 0.00000 0.00000 0.00008 0.00000 -0.00001 5 2PZ 0.00000 -0.00003 0.00000 0.00000 0.00000 6 3S -0.00010 0.00051 0.00018 0.00034 0.00026 7 3PX 0.00012 -0.00090 0.00024 0.00008 0.00014 8 3PY 0.00002 -0.00025 0.00053 0.00003 0.00001 9 3PZ -0.00003 -0.00045 -0.00004 0.00005 0.00006 10 4S -0.00031 0.00503 0.00854 -0.00277 -0.00175 11 4PX 0.00034 -0.00194 -0.00163 0.00051 0.00142 12 4PY 0.00001 -0.00070 0.00525 0.00218 -0.00161 13 4PZ -0.00006 -0.00136 -0.00038 -0.00004 0.00016 14 5XX 0.00007 0.00005 0.00000 -0.00004 0.00002 15 5YY 0.00001 -0.00003 -0.00048 0.00007 0.00002 16 5ZZ -0.00006 -0.00014 -0.00014 0.00004 0.00005 17 5XY 0.00001 0.00002 -0.00009 0.00004 -0.00007 18 5XZ 0.00001 0.00006 -0.00003 -0.00001 -0.00001 19 5YZ 0.00000 0.00001 0.00004 0.00000 0.00000 20 2 Al 1S 0.99680 0.00002 0.00000 0.00001 0.00001 21 2S 0.01264 -0.00005 0.00008 -0.00006 -0.00005 22 2PX 0.00006 -0.00001 0.00003 -0.00003 -0.00006 23 2PY 0.00001 0.00000 0.00000 -0.00008 0.00005 24 2PZ 0.00000 -0.00003 0.00000 0.00000 -0.00001 25 3S -0.02708 0.00068 0.00028 0.00028 0.00032 26 3PX -0.00016 0.00092 -0.00014 -0.00020 -0.00041 27 3PY -0.00003 0.00018 -0.00004 -0.00051 0.00035 28 3PZ 0.00001 -0.00042 0.00005 0.00000 -0.00004 29 4S 0.00268 0.00444 -0.00223 0.00861 0.00867 30 4PX 0.00006 0.00188 -0.00060 0.00125 -0.00109 31 4PY 0.00004 0.00040 -0.00205 -0.00507 0.00489 32 4PZ -0.00002 -0.00136 0.00013 0.00019 -0.00035 33 5XX 0.00922 0.00005 -0.00004 -0.00005 -0.00018 34 5YY 0.00928 -0.00006 0.00006 -0.00050 -0.00037 35 5ZZ 0.00935 -0.00015 0.00005 -0.00014 -0.00014 36 5XY -0.00002 0.00002 0.00002 -0.00007 0.00024 37 5XZ -0.00002 -0.00004 0.00001 0.00004 0.00001 38 5YZ 0.00000 -0.00001 0.00000 0.00000 0.00005 39 3 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S -0.00002 0.00020 0.00005 0.00004 0.00005 41 3S 0.00010 -0.00057 -0.00013 -0.00012 -0.00014 42 4S -0.00007 -0.00009 -0.00002 -0.00002 -0.00002 43 5S -0.00069 0.00257 0.00111 0.00102 0.00122 44 6S 0.00236 -0.00865 -0.00340 -0.00307 -0.00368 45 7PX 0.00004 0.00000 0.00001 -0.00001 -0.00001 46 7PY 0.00002 0.00000 0.00001 -0.00001 0.00000 47 7PZ 0.00015 -0.00001 0.00000 0.00000 0.00000 48 8PX -0.00001 0.00000 -0.00003 0.00003 0.00004 49 8PY 0.00000 0.00000 -0.00003 0.00003 -0.00001 50 8PZ -0.00002 0.00004 -0.00001 -0.00001 -0.00001 51 9PX -0.00003 0.00003 0.00019 -0.00022 -0.00026 52 9PY -0.00001 -0.00002 0.00021 -0.00020 0.00009 53 9PZ 0.00009 -0.00028 0.00002 0.00003 0.00001 54 10PX -0.00030 -0.00013 -0.00102 0.00112 0.00127 55 10PY -0.00010 0.00009 -0.00090 0.00090 -0.00030 56 10PZ -0.00071 0.00163 0.00039 0.00032 0.00045 57 11XX -0.00005 0.00040 0.00009 0.00008 0.00012 58 11YY -0.00005 0.00042 0.00009 0.00009 0.00008 59 11ZZ -0.00005 0.00040 0.00010 0.00009 0.00011 60 11XY 0.00000 -0.00001 0.00003 0.00003 -0.00002 61 11XZ 0.00000 0.00000 -0.00001 0.00001 0.00002 62 11YZ 0.00000 0.00000 -0.00002 0.00002 -0.00001 63 12XX -0.00042 0.00173 0.00058 0.00054 0.00047 64 12YY -0.00051 0.00163 0.00056 0.00049 0.00079 65 12ZZ -0.00042 0.00165 0.00053 0.00050 0.00058 66 12XY 0.00003 0.00004 -0.00024 -0.00024 0.00014 67 12XZ 0.00003 0.00001 0.00012 -0.00011 -0.00017 68 12YZ 0.00001 0.00000 0.00015 -0.00016 0.00008 69 4 Br 1S 0.00001 0.00000 0.00000 0.00000 0.00000 70 2S 0.00003 0.00005 -0.00009 -0.00009 0.00009 71 3S -0.00013 -0.00016 0.00024 0.00027 -0.00024 72 4S -0.00008 -0.00003 0.00004 0.00003 -0.00004 73 5S 0.00014 0.00102 -0.00032 -0.00129 0.00088 74 6S -0.00070 -0.00314 0.00174 0.00432 -0.00305 75 7PX -0.00004 0.00000 0.00001 0.00000 0.00000 76 7PY 0.00002 -0.00001 0.00001 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00002 -0.00003 -0.00001 0.00000 79 8PY 0.00000 0.00002 -0.00002 0.00001 -0.00001 80 8PZ 0.00000 0.00001 0.00000 0.00000 0.00000 81 9PX -0.00004 -0.00014 0.00014 0.00008 -0.00004 82 9PY 0.00002 -0.00007 0.00018 -0.00007 0.00007 83 9PZ 0.00000 -0.00006 -0.00003 0.00000 0.00000 84 10PX 0.00006 0.00085 -0.00030 -0.00053 0.00019 85 10PY -0.00008 -0.00004 -0.00081 0.00030 -0.00025 86 10PZ 0.00002 0.00031 0.00009 -0.00001 -0.00001 87 11XX 0.00013 0.00013 -0.00020 -0.00019 0.00017 88 11YY 0.00013 0.00010 -0.00015 -0.00018 0.00017 89 11ZZ 0.00012 0.00011 -0.00017 -0.00019 0.00018 90 11XY 0.00000 0.00000 -0.00001 0.00001 0.00000 91 11XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 92 11YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 93 12XX 0.00019 0.00041 -0.00026 -0.00083 0.00065 94 12YY 0.00018 0.00064 -0.00065 -0.00089 0.00065 95 12ZZ 0.00021 0.00062 -0.00044 -0.00079 0.00064 96 12XY 0.00000 0.00005 0.00012 -0.00006 0.00004 97 12XZ 0.00000 0.00003 -0.00002 0.00000 0.00000 98 12YZ 0.00001 0.00008 0.00002 0.00000 -0.00001 99 5 Cl 1S 0.00000 -0.00001 -0.28457 0.00405 -0.00278 100 2S 0.00001 0.00010 1.02237 -0.01451 0.00991 101 2PX 0.00000 0.00001 -0.00102 0.00001 -0.00001 102 2PY 0.00000 -0.00002 -0.00362 0.00005 -0.00004 103 2PZ 0.00000 0.00001 0.00028 0.00000 0.00000 104 3S 0.00001 0.00020 0.07569 -0.00095 0.00057 105 3PX -0.00001 -0.00008 -0.00051 0.00003 -0.00002 106 3PY -0.00002 0.00007 -0.00117 0.00002 0.00000 107 3PZ 0.00000 -0.00005 0.00009 0.00000 0.00000 108 4S -0.00009 -0.00123 -0.02083 -0.00059 0.00116 109 4PX -0.00001 0.00060 0.00155 -0.00003 -0.00018 110 4PY 0.00006 0.00026 0.00312 0.00001 -0.00016 111 4PZ 0.00001 0.00027 -0.00024 -0.00003 0.00002 112 5XX 0.00002 0.00005 -0.01593 0.00031 -0.00027 113 5YY 0.00002 0.00007 -0.01568 0.00029 -0.00027 114 5ZZ 0.00003 0.00010 -0.01593 0.00030 -0.00024 115 5XY 0.00001 -0.00005 0.00004 -0.00001 0.00002 116 5XZ 0.00000 0.00002 0.00000 0.00000 0.00000 117 5YZ 0.00000 -0.00002 -0.00002 0.00000 0.00000 118 6 Cl 1S 0.00000 -0.28460 0.00002 0.00002 0.00002 119 2S -0.00004 1.02254 0.00001 0.00001 0.00002 120 2PX -0.00001 -0.00014 -0.00002 0.00002 0.00002 121 2PY 0.00000 0.00019 -0.00002 0.00002 -0.00001 122 2PZ 0.00002 0.00361 0.00002 0.00002 0.00002 123 3S 0.00010 0.07623 0.00021 0.00019 0.00023 124 3PX -0.00001 -0.00002 0.00014 -0.00015 -0.00017 125 3PY -0.00001 0.00006 0.00012 -0.00013 0.00005 126 3PZ -0.00006 0.00118 -0.00012 -0.00010 -0.00012 127 4S 0.00096 -0.02178 -0.00153 -0.00138 -0.00163 128 4PX -0.00038 0.00002 -0.00098 0.00111 0.00123 129 4PY -0.00004 -0.00017 -0.00084 0.00080 -0.00028 130 4PZ 0.00061 -0.00348 -0.00010 -0.00011 -0.00008 131 5XX -0.00015 -0.01579 0.00009 0.00008 0.00003 132 5YY -0.00011 -0.01585 0.00006 0.00006 0.00013 133 5ZZ -0.00015 -0.01585 0.00008 0.00007 0.00010 134 5XY -0.00001 0.00002 -0.00008 -0.00008 0.00006 135 5XZ 0.00006 -0.00001 -0.00004 0.00005 0.00006 136 5YZ 0.00001 0.00000 -0.00006 0.00005 -0.00003 137 7 Cl 1S 0.00000 -0.00001 -0.00399 -0.28454 -0.00524 138 2S -0.00003 0.00010 0.01440 1.02224 0.01883 139 2PX 0.00001 -0.00001 0.00002 0.00119 0.00005 140 2PY 0.00004 0.00002 0.00005 0.00360 0.00006 141 2PZ 0.00000 0.00001 0.00000 -0.00001 0.00000 142 3S 0.00019 0.00018 0.00119 0.07566 0.00139 143 3PX -0.00005 0.00008 -0.00002 0.00055 -0.00014 144 3PY -0.00019 -0.00007 0.00002 0.00116 0.00010 145 3PZ 0.00000 -0.00004 0.00000 0.00000 -0.00002 146 4S 0.00091 -0.00114 -0.00115 -0.02072 -0.00029 147 4PX 0.00023 -0.00061 0.00000 -0.00162 0.00054 148 4PY 0.00079 -0.00020 -0.00013 -0.00306 -0.00074 149 4PZ 0.00000 0.00028 -0.00002 -0.00001 0.00010 150 5XX -0.00010 0.00004 -0.00014 -0.01593 -0.00025 151 5YY -0.00030 0.00007 -0.00015 -0.01570 -0.00038 152 5ZZ -0.00008 0.00009 -0.00015 -0.01594 -0.00031 153 5XY -0.00007 -0.00005 -0.00001 0.00005 0.00005 154 5XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00003 0.00000 -0.00001 0.00001 156 8 Cl 1S 0.00000 -0.00001 0.00284 0.00520 -0.28455 157 2S -0.00002 0.00011 -0.01028 -0.01868 1.02229 158 2PX 0.00003 0.00000 -0.00003 -0.00003 0.00260 159 2PY -0.00003 -0.00002 0.00002 0.00007 -0.00274 160 2PZ 0.00000 0.00001 0.00000 0.00000 0.00033 161 3S 0.00020 0.00020 -0.00093 -0.00138 0.07566 162 3PX -0.00012 0.00005 -0.00001 -0.00012 0.00098 163 3PY 0.00015 0.00010 0.00003 -0.00012 -0.00081 164 3PZ -0.00002 -0.00005 -0.00001 -0.00001 0.00011 165 4S 0.00088 -0.00123 0.00158 0.00045 -0.02067 166 4PX 0.00054 -0.00066 0.00030 0.00026 -0.00274 167 4PY -0.00061 -0.00005 -0.00011 0.00083 0.00210 168 4PZ 0.00007 0.00028 0.00003 0.00002 -0.00029 169 5XX -0.00018 0.00002 0.00006 0.00034 -0.01586 170 5YY -0.00021 0.00011 0.00003 0.00019 -0.01578 171 5ZZ -0.00008 0.00010 0.00007 0.00027 -0.01594 172 5XY 0.00013 0.00002 -0.00001 0.00004 -0.00014 173 5XZ -0.00001 -0.00001 0.00000 0.00001 0.00001 174 5YZ 0.00002 -0.00003 0.00000 0.00000 -0.00002 21 22 23 24 25 O O O O O Eigenvalues -- -8.65311 -8.60045 -7.28246 -7.28152 -7.27813 1 1 Al 1S -0.00003 0.00007 -0.00001 0.00003 0.00000 2 2S 0.00013 -0.00004 -0.00031 0.00010 0.00001 3 2PX 0.00010 -0.00015 -0.00015 -0.00012 0.00000 4 2PY 0.00001 0.00014 -0.00004 -0.00002 -0.00001 5 2PZ -0.00049 -0.00001 -0.00010 -0.00006 0.00000 6 3S -0.00170 0.00514 -0.00074 0.00322 -0.00001 7 3PX 0.00271 -0.00069 0.00040 -0.00034 -0.00003 8 3PY 0.00065 0.00011 0.00002 -0.00013 0.00018 9 3PZ 0.00003 0.00003 -0.00042 -0.00056 -0.00002 10 4S -0.02636 -0.04563 0.01485 -0.00024 -0.00032 11 4PX 0.00992 -0.01149 -0.00588 -0.00089 -0.00071 12 4PY 0.00246 0.03014 -0.00178 0.00013 0.00291 13 4PZ -0.01115 -0.00106 -0.00271 0.00125 -0.00014 14 5XX 0.00069 -0.00062 -0.00075 -0.00105 0.00004 15 5YY -0.00015 0.00022 -0.00001 -0.00049 0.00003 16 5ZZ 0.00153 -0.00095 -0.00050 -0.00125 0.00003 17 5XY 0.00017 -0.00134 -0.00028 -0.00020 -0.00006 18 5XZ -0.00126 0.00016 -0.00049 -0.00048 0.00002 19 5YZ -0.00020 0.00004 -0.00015 -0.00017 -0.00011 20 2 Al 1S -0.00003 0.00002 0.00000 0.00003 0.00000 21 2S -0.00001 -0.00030 0.00028 0.00011 0.00000 22 2PX -0.00010 -0.00015 -0.00017 0.00011 0.00000 23 2PY -0.00005 -0.00003 -0.00003 0.00002 -0.00002 24 2PZ -0.00048 0.00001 0.00010 -0.00005 0.00000 25 3S -0.00225 -0.00027 0.00032 0.00326 -0.00001 26 3PX -0.00265 0.00090 0.00038 0.00037 -0.00005 27 3PY -0.00059 0.00016 0.00011 0.00006 0.00024 28 3PZ -0.00010 -0.00031 0.00044 -0.00050 -0.00002 29 4S -0.02366 0.00682 -0.01433 -0.00049 0.00007 30 4PX -0.00866 0.00475 -0.00607 0.00051 -0.00056 31 4PY -0.00285 -0.00943 -0.00111 0.00012 0.00261 32 4PZ -0.01175 0.00031 0.00252 0.00147 -0.00016 33 5XX 0.00053 -0.00006 0.00094 -0.00109 -0.00001 34 5YY -0.00012 -0.00023 0.00007 -0.00049 0.00000 35 5ZZ 0.00156 -0.00031 0.00060 -0.00123 0.00001 36 5XY 0.00028 0.00031 0.00019 -0.00013 0.00003 37 5XZ 0.00123 -0.00011 -0.00056 0.00052 0.00002 38 5YZ 0.00038 -0.00002 -0.00009 0.00006 -0.00012 39 3 Br 1S 0.16762 -0.00036 0.00000 0.00002 0.00000 40 2S -0.94160 0.00163 0.00000 0.00007 0.00000 41 3S 0.87170 -0.00090 -0.00001 -0.00036 0.00001 42 4S 1.24496 -0.00237 0.00001 0.00002 0.00000 43 5S 0.26938 -0.00592 0.00016 0.00035 -0.00005 44 6S 0.34864 0.01663 -0.00043 -0.00280 0.00016 45 7PX -0.00003 -0.00004 0.00002 0.00000 -0.00001 46 7PY 0.00008 0.00003 0.00000 0.00000 0.00002 47 7PZ 0.00171 -0.00003 0.00000 0.00001 0.00000 48 8PX 0.00008 0.00015 -0.00006 0.00000 0.00002 49 8PY -0.00021 -0.00009 -0.00001 0.00000 -0.00008 50 8PZ -0.00444 0.00010 0.00000 -0.00005 0.00000 51 9PX -0.00022 -0.00107 0.00049 -0.00002 -0.00013 52 9PY 0.00029 0.00060 0.00010 0.00003 0.00052 53 9PZ 0.00549 -0.00031 -0.00001 0.00040 -0.00003 54 10PX 0.00077 0.00592 -0.00226 0.00004 0.00038 55 10PY -0.00089 -0.00251 -0.00047 -0.00007 -0.00147 56 10PZ -0.01736 -0.00131 0.00004 -0.00079 0.00007 57 11XX -0.44285 0.00017 0.00001 0.00032 -0.00001 58 11YY -0.44362 0.00033 0.00000 0.00032 0.00000 59 11ZZ -0.44287 0.00023 0.00001 0.00019 0.00000 60 11XY 0.00022 0.00008 0.00000 0.00000 0.00000 61 11XZ 0.00000 0.00003 -0.00004 0.00000 0.00001 62 11YZ 0.00004 -0.00006 -0.00001 -0.00001 -0.00002 63 12XX -0.15351 -0.00189 0.00006 0.00030 -0.00001 64 12YY -0.15504 -0.00338 0.00010 0.00034 -0.00002 65 12ZZ -0.15347 -0.00257 0.00008 0.00118 -0.00005 66 12XY 0.00036 -0.00078 0.00003 -0.00002 -0.00002 67 12XZ -0.00008 -0.00055 0.00038 -0.00003 -0.00004 68 12YZ 0.00012 0.00049 0.00007 0.00005 0.00017 69 4 Br 1S 0.00030 0.16765 0.00001 -0.00001 -0.00001 70 2S -0.00207 -0.94140 0.00003 -0.00004 -0.00003 71 3S 0.00252 0.87089 -0.00018 0.00022 0.00015 72 4S 0.00255 1.24499 0.00004 -0.00006 -0.00002 73 5S -0.00388 0.27050 0.00202 -0.00075 -0.00108 74 6S 0.01527 0.34449 -0.00619 0.00253 0.00373 75 7PX 0.00001 0.00136 -0.00001 0.00001 0.00000 76 7PY 0.00002 -0.00139 0.00000 -0.00001 0.00000 77 7PZ -0.00003 0.00004 0.00000 0.00001 -0.00001 78 8PX -0.00005 -0.00356 0.00002 -0.00003 0.00002 79 8PY -0.00008 0.00360 0.00002 0.00002 -0.00001 80 8PZ 0.00009 -0.00010 0.00001 -0.00003 0.00004 81 9PX 0.00046 0.00508 -0.00021 0.00015 -0.00008 82 9PY 0.00038 -0.00409 -0.00007 -0.00015 0.00009 83 9PZ -0.00054 0.00011 -0.00008 0.00020 -0.00023 84 10PX -0.00383 -0.01587 0.00159 -0.00012 -0.00025 85 10PY 0.00041 0.01276 -0.00041 0.00026 -0.00002 86 10PZ 0.00230 -0.00035 0.00050 -0.00049 0.00042 87 11XX -0.00155 -0.44245 0.00014 -0.00015 -0.00011 88 11YY -0.00149 -0.44224 0.00013 -0.00016 -0.00012 89 11ZZ -0.00145 -0.44289 0.00013 -0.00015 -0.00012 90 11XY -0.00001 -0.00064 -0.00002 0.00000 -0.00001 91 11XZ -0.00007 0.00002 -0.00002 -0.00002 0.00003 92 11YZ -0.00007 -0.00002 -0.00002 0.00000 0.00000 93 12XX -0.00225 -0.15178 0.00086 -0.00071 -0.00062 94 12YY -0.00301 -0.15264 0.00105 -0.00065 -0.00062 95 12ZZ -0.00322 -0.15277 0.00106 -0.00067 -0.00058 96 12XY -0.00014 -0.00092 0.00018 0.00005 0.00008 97 12XZ 0.00032 -0.00001 0.00008 0.00011 -0.00017 98 12YZ 0.00053 0.00001 0.00015 -0.00001 0.00003 99 5 Cl 1S -0.00003 0.00002 0.00001 0.00000 0.00000 100 2S -0.00021 0.00007 0.00011 -0.00003 0.00005 101 2PX -0.00004 0.00018 -0.00002 0.00003 0.00003 102 2PY 0.00009 -0.00005 0.00007 0.00009 0.00010 103 2PZ 0.00006 -0.00001 -0.00003 0.00007 0.00009 104 3S -0.00105 0.00015 0.00038 -0.00008 0.00020 105 3PX 0.00029 -0.00118 -0.00010 0.00005 0.00005 106 3PY -0.00048 0.00038 0.00008 0.00018 0.00019 107 3PZ -0.00037 0.00006 -0.00007 0.00017 0.00020 108 4S 0.00605 -0.00257 -0.00272 0.00034 -0.00158 109 4PX -0.00271 0.00437 0.00095 0.00010 0.00015 110 4PY -0.00107 -0.00342 0.00078 -0.00025 -0.00018 111 4PZ 0.00221 -0.00009 0.00041 -0.00048 -0.00044 112 5XX -0.00011 0.00003 0.00015 -0.00009 0.00004 113 5YY -0.00017 0.00079 0.00009 -0.00010 0.00008 114 5ZZ -0.00032 0.00036 0.00016 -0.00008 0.00005 115 5XY 0.00023 -0.00024 -0.00006 -0.00004 0.00000 116 5XZ 0.00013 0.00003 0.00005 0.00003 0.00004 117 5YZ -0.00015 -0.00001 -0.00004 0.00001 0.00002 118 6 Cl 1S -0.00008 -0.00003 -0.00004 0.00113 0.00000 119 2S -0.00056 -0.00025 0.00017 -0.00403 -0.00001 120 2PX 0.00001 0.00011 0.96629 -0.00033 -0.21772 121 2PY 0.00001 -0.00006 0.21726 0.05932 0.96496 122 2PZ 0.00018 -0.00011 -0.01271 0.98894 -0.05796 123 3S -0.00221 -0.00121 0.00002 0.00044 -0.00001 124 3PX -0.00006 -0.00078 0.03021 0.00001 -0.00641 125 3PY -0.00005 0.00042 0.00678 0.00179 0.02838 126 3PZ -0.00106 0.00061 -0.00037 0.02969 -0.00170 127 4S 0.01556 0.00765 -0.00014 -0.00106 0.00007 128 4PX 0.00025 0.00582 -0.01411 -0.00008 0.00222 129 4PY 0.00036 -0.00201 -0.00314 -0.00064 -0.00958 130 4PZ 0.00711 0.00050 0.00000 -0.00980 0.00058 131 5XX -0.00090 -0.00004 -0.00002 0.00022 0.00000 132 5YY -0.00093 -0.00050 0.00003 0.00009 0.00001 133 5ZZ -0.00127 -0.00023 0.00000 0.00059 -0.00002 134 5XY -0.00001 -0.00026 0.00002 0.00003 -0.00001 135 5XZ 0.00002 0.00031 0.00030 -0.00001 -0.00003 136 5YZ -0.00002 -0.00014 0.00007 0.00003 0.00016 137 7 Cl 1S -0.00003 0.00004 -0.00001 0.00000 0.00000 138 2S -0.00019 0.00027 -0.00011 -0.00003 -0.00005 139 2PX 0.00003 0.00004 -0.00002 -0.00004 0.00004 140 2PY -0.00008 -0.00001 0.00008 -0.00007 0.00009 141 2PZ 0.00008 0.00000 0.00002 0.00008 -0.00010 142 3S -0.00099 0.00093 -0.00038 -0.00009 -0.00019 143 3PX -0.00026 -0.00020 -0.00011 -0.00007 0.00006 144 3PY 0.00043 0.00008 0.00010 -0.00014 0.00016 145 3PZ -0.00049 0.00001 0.00005 0.00018 -0.00021 146 4S 0.00564 -0.00730 0.00276 0.00041 0.00149 147 4PX 0.00256 -0.00057 0.00106 -0.00001 0.00012 148 4PY 0.00111 -0.00102 0.00069 0.00017 -0.00011 149 4PZ 0.00244 -0.00002 -0.00042 -0.00052 0.00044 150 5XX -0.00007 0.00059 -0.00015 -0.00009 -0.00004 151 5YY -0.00015 0.00060 -0.00011 -0.00009 -0.00007 152 5ZZ -0.00035 0.00046 -0.00016 -0.00008 -0.00005 153 5XY 0.00021 -0.00006 0.00008 -0.00004 0.00000 154 5XZ -0.00011 0.00000 0.00004 -0.00002 0.00003 155 5YZ 0.00017 0.00000 -0.00005 -0.00001 0.00002 156 8 Cl 1S -0.00003 -0.00003 -0.00001 -0.00001 0.00000 157 2S -0.00021 -0.00021 -0.00010 -0.00003 0.00005 158 2PX 0.00000 -0.00001 0.00001 -0.00007 -0.00007 159 2PY 0.00009 -0.00001 -0.00008 0.00005 0.00008 160 2PZ 0.00007 0.00000 0.00003 0.00007 0.00009 161 3S -0.00105 -0.00082 -0.00036 -0.00011 0.00020 162 3PX -0.00005 0.00001 -0.00006 -0.00013 -0.00013 163 3PY -0.00055 0.00005 -0.00013 0.00012 0.00014 164 3PZ -0.00043 -0.00003 0.00006 0.00017 0.00019 165 4S 0.00602 0.00562 0.00262 0.00051 -0.00153 166 4PX 0.00280 0.00064 0.00124 0.00009 -0.00007 167 4PY 0.00031 -0.00047 -0.00021 -0.00023 -0.00019 168 4PZ 0.00249 0.00019 -0.00038 -0.00050 -0.00041 169 5XX 0.00003 -0.00045 -0.00008 -0.00012 0.00005 170 5YY -0.00034 -0.00049 -0.00015 -0.00008 0.00007 171 5ZZ -0.00034 -0.00045 -0.00016 -0.00009 0.00005 172 5XY -0.00010 -0.00007 -0.00006 0.00002 -0.00002 173 5XZ -0.00001 0.00001 0.00002 -0.00003 -0.00004 174 5YZ -0.00021 -0.00001 0.00006 0.00000 0.00000 26 27 28 29 30 O O O O O Eigenvalues -- -7.22961 -7.22928 -7.22907 -7.22499 -7.22478 1 1 Al 1S -0.00004 0.00000 0.00000 0.00000 0.00002 2 2S -0.00014 0.00006 -0.00006 0.00000 0.00025 3 2PX -0.00007 -0.00003 0.00004 0.00000 0.00005 4 2PY -0.00035 -0.00002 -0.00001 0.00000 0.00002 5 2PZ 0.00003 0.00000 0.00000 0.00005 -0.00001 6 3S -0.00447 0.00028 -0.00029 -0.00002 0.00205 7 3PX 0.00003 0.00016 -0.00021 -0.00004 -0.00017 8 3PY 0.00124 0.00011 0.00003 -0.00001 -0.00042 9 3PZ -0.00011 -0.00002 0.00001 -0.00012 0.00006 10 4S -0.00280 -0.00153 0.00170 -0.00001 -0.00679 11 4PX 0.00066 0.00077 -0.00081 -0.00010 0.00861 12 4PY 0.00063 0.00017 -0.00021 0.00032 -0.00105 13 4PZ 0.00000 -0.00007 0.00008 0.00370 -0.00006 14 5XX 0.00077 -0.00011 0.00016 0.00001 -0.00011 15 5YY 0.00376 -0.00003 -0.00002 0.00001 -0.00001 16 5ZZ 0.00074 0.00005 -0.00005 0.00001 -0.00030 17 5XY 0.00107 -0.00008 0.00000 0.00001 -0.00033 18 5XZ -0.00004 0.00001 0.00000 -0.00012 0.00002 19 5YZ -0.00024 -0.00001 -0.00002 -0.00014 -0.00001 20 2 Al 1S 0.00000 0.00003 -0.00004 0.00000 -0.00001 21 2S -0.00004 0.00013 -0.00013 0.00000 -0.00017 22 2PX -0.00003 -0.00009 0.00024 0.00000 -0.00003 23 2PY -0.00002 -0.00036 -0.00026 0.00000 -0.00001 24 2PZ 0.00000 0.00000 0.00003 0.00002 0.00000 25 3S -0.00020 0.00422 -0.00453 0.00002 -0.00104 26 3PX 0.00019 0.00013 -0.00067 0.00007 0.00009 27 3PY 0.00013 0.00125 0.00099 0.00003 0.00002 28 3PZ 0.00001 -0.00001 -0.00012 -0.00018 -0.00001 29 4S 0.00127 0.00300 -0.00323 0.00018 0.00579 30 4PX 0.00061 0.00105 -0.00130 0.00010 0.00314 31 4PY 0.00011 0.00063 0.00008 0.00000 0.00070 32 4PZ 0.00010 0.00001 -0.00005 -0.00026 0.00006 33 5XX 0.00012 -0.00078 0.00217 0.00002 0.00009 34 5YY 0.00001 -0.00364 0.00255 0.00000 0.00007 35 5ZZ -0.00003 -0.00067 0.00074 0.00001 -0.00020 36 5XY 0.00008 -0.00123 -0.00197 0.00002 0.00011 37 5XZ 0.00001 0.00007 0.00017 -0.00009 0.00002 38 5YZ -0.00001 0.00004 -0.00024 -0.00009 -0.00001 39 3 Br 1S 0.00001 -0.00001 0.00001 0.00001 -0.00001 40 2S 0.00003 -0.00002 0.00002 0.00003 -0.00002 41 3S -0.00013 0.00012 -0.00013 -0.00014 0.00012 42 4S 0.00004 -0.00004 0.00004 0.00002 -0.00003 43 5S 0.00003 0.00008 -0.00008 0.00089 -0.00135 44 6S -0.00026 -0.00008 0.00006 -0.00309 0.00437 45 7PX 0.00000 0.00000 0.00000 0.00001 -0.00001 46 7PY 0.00001 0.00001 0.00001 -0.00001 0.00000 47 7PZ -0.00001 0.00001 -0.00001 0.00001 0.00000 48 8PX -0.00001 0.00000 0.00002 -0.00002 0.00002 49 8PY -0.00004 -0.00004 -0.00003 0.00003 0.00001 50 8PZ 0.00003 -0.00002 0.00003 -0.00003 -0.00001 51 9PX 0.00000 -0.00002 -0.00007 0.00017 -0.00019 52 9PY 0.00022 0.00022 0.00018 -0.00018 -0.00008 53 9PZ -0.00017 0.00013 -0.00016 0.00017 0.00008 54 10PX 0.00055 0.00060 -0.00045 -0.00078 0.00117 55 10PY -0.00038 -0.00033 -0.00055 0.00022 0.00060 56 10PZ -0.00002 0.00015 -0.00011 -0.00023 -0.00073 57 11XX 0.00008 -0.00008 0.00010 0.00012 -0.00007 58 11YY 0.00011 -0.00010 0.00009 0.00010 -0.00009 59 11ZZ 0.00009 -0.00008 0.00008 0.00009 -0.00010 60 11XY 0.00002 -0.00002 -0.00002 -0.00002 0.00001 61 11XZ 0.00001 0.00001 -0.00001 0.00000 0.00001 62 11YZ -0.00001 -0.00001 -0.00001 0.00001 0.00000 63 12XX 0.00037 -0.00028 0.00020 0.00039 -0.00080 64 12YY 0.00016 -0.00010 0.00023 0.00056 -0.00064 65 12ZZ 0.00034 -0.00031 0.00032 0.00059 -0.00055 66 12XY -0.00012 0.00010 0.00015 0.00012 -0.00002 67 12XZ -0.00014 -0.00015 0.00012 -0.00001 -0.00011 68 12YZ 0.00006 0.00003 0.00010 -0.00007 -0.00004 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00002 70 2S 0.00000 0.00000 0.00000 0.00000 0.00006 71 3S 0.00000 -0.00003 -0.00002 0.00002 -0.00033 72 4S 0.00000 0.00000 0.00001 0.00000 0.00005 73 5S -0.00090 -0.00003 0.00014 -0.00011 0.00197 74 6S 0.00263 0.00004 -0.00044 0.00037 -0.00661 75 7PX 0.00001 0.00000 0.00000 0.00000 0.00002 76 7PY 0.00001 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00002 0.00000 78 8PX -0.00002 0.00000 0.00001 0.00000 -0.00006 79 8PY -0.00004 0.00000 0.00000 0.00000 -0.00001 80 8PZ 0.00000 0.00000 0.00000 -0.00007 0.00000 81 9PX 0.00012 0.00001 -0.00004 0.00001 0.00034 82 9PY 0.00020 0.00002 0.00000 0.00002 0.00015 83 9PZ -0.00002 -0.00001 0.00000 0.00044 -0.00001 84 10PX -0.00074 -0.00010 0.00015 -0.00003 -0.00068 85 10PY 0.00021 -0.00005 0.00001 -0.00003 -0.00107 86 10PZ 0.00001 0.00003 -0.00002 -0.00124 0.00006 87 11XX 0.00001 0.00002 0.00001 -0.00002 0.00023 88 11YY 0.00000 0.00002 0.00001 -0.00001 0.00026 89 11ZZ -0.00001 0.00002 0.00002 -0.00002 0.00025 90 11XY 0.00002 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 -0.00002 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00002 0.00000 93 12XX -0.00039 0.00004 0.00008 -0.00007 0.00136 94 12YY -0.00026 0.00001 0.00011 -0.00008 0.00109 95 12ZZ -0.00028 0.00004 0.00007 -0.00006 0.00120 96 12XY -0.00017 0.00000 0.00001 0.00001 0.00003 97 12XZ 0.00001 0.00000 0.00000 0.00018 -0.00001 98 12YZ 0.00000 0.00000 -0.00001 -0.00018 0.00000 99 5 Cl 1S -0.00117 0.00000 0.00000 0.00000 -0.00002 100 2S 0.00425 -0.00001 0.00000 0.00000 -0.00001 101 2PX 0.26212 -0.00043 -0.00025 0.00874 0.95545 102 2PY 0.95238 -0.00194 -0.00082 0.07507 -0.26209 103 2PZ -0.07469 0.00018 0.00015 0.98806 0.01147 104 3S -0.00011 -0.00002 0.00001 0.00000 -0.00027 105 3PX 0.00800 0.00001 -0.00002 0.00025 0.02822 106 3PY 0.02890 -0.00005 -0.00001 0.00220 -0.00765 107 3PZ -0.00226 0.00001 0.00001 0.02880 0.00032 108 4S 0.00060 0.00014 -0.00014 -0.00001 0.00165 109 4PX -0.00235 -0.00010 0.00011 -0.00004 -0.01021 110 4PY -0.00808 -0.00002 0.00002 -0.00070 0.00209 111 4PZ 0.00062 0.00001 -0.00003 -0.00908 -0.00003 112 5XX -0.00006 -0.00001 0.00000 0.00000 -0.00022 113 5YY -0.00124 -0.00001 0.00001 -0.00003 -0.00005 114 5ZZ 0.00003 -0.00001 0.00000 0.00003 -0.00014 115 5XY -0.00040 0.00000 -0.00001 -0.00001 -0.00009 116 5XZ 0.00003 0.00000 0.00000 -0.00006 0.00001 117 5YZ 0.00011 0.00000 0.00000 -0.00019 -0.00001 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 119 2S -0.00001 0.00001 -0.00001 -0.00003 -0.00007 120 2PX -0.00007 -0.00007 0.00015 0.00009 0.00008 121 2PY -0.00020 -0.00018 -0.00014 -0.00018 0.00001 122 2PZ -0.00014 0.00014 -0.00013 -0.00013 -0.00001 123 3S -0.00004 0.00005 -0.00006 -0.00013 -0.00025 124 3PX 0.00006 0.00006 -0.00014 -0.00013 -0.00011 125 3PY 0.00022 0.00020 0.00016 0.00021 -0.00003 126 3PZ 0.00014 -0.00014 0.00013 0.00017 -0.00002 127 4S 0.00048 -0.00060 0.00064 0.00107 0.00201 128 4PX 0.00042 0.00046 -0.00029 0.00077 0.00096 129 4PY -0.00044 -0.00041 -0.00054 -0.00038 0.00056 130 4PZ 0.00004 -0.00004 0.00010 -0.00043 0.00056 131 5XX 0.00007 -0.00006 0.00004 0.00001 -0.00014 132 5YY 0.00000 0.00001 0.00002 -0.00003 -0.00007 133 5ZZ 0.00007 -0.00006 0.00006 -0.00005 -0.00004 134 5XY -0.00002 0.00003 0.00004 -0.00004 0.00000 135 5XZ 0.00006 0.00006 -0.00006 0.00002 0.00003 136 5YZ 0.00000 0.00000 -0.00002 -0.00002 0.00002 137 7 Cl 1S 0.00000 0.00118 -0.00004 0.00000 0.00000 138 2S 0.00000 -0.00427 0.00010 0.00000 0.00002 139 2PX 0.00068 0.30496 -0.01291 0.00034 0.01201 140 2PY 0.00183 0.94186 -0.03208 -0.00015 -0.00400 141 2PZ -0.00002 -0.00353 -0.00010 -0.00335 0.00001 142 3S 0.00003 0.00010 -0.00015 0.00001 0.00007 143 3PX 0.00004 0.00931 -0.00060 0.00001 0.00048 144 3PY 0.00007 0.02859 -0.00076 0.00000 -0.00013 145 3PZ 0.00000 -0.00011 -0.00003 -0.00012 0.00001 146 4S -0.00016 -0.00054 0.00137 -0.00003 -0.00053 147 4PX -0.00010 -0.00279 0.00077 -0.00002 -0.00066 148 4PY -0.00005 -0.00795 0.00052 0.00000 -0.00007 149 4PZ -0.00002 0.00003 0.00004 0.00009 -0.00002 150 5XX 0.00002 0.00008 -0.00012 0.00000 0.00004 151 5YY 0.00002 0.00122 -0.00002 0.00000 0.00003 152 5ZZ 0.00001 -0.00004 -0.00003 0.00000 0.00002 153 5XY 0.00000 0.00045 -0.00003 0.00000 -0.00002 154 5XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 155 5YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 -0.00004 -0.00118 0.00000 0.00000 157 2S 0.00001 0.00019 0.00427 0.00000 0.00000 158 2PX -0.00063 -0.02188 -0.67500 -0.00013 -0.00019 159 2PY 0.00069 0.02652 0.71896 0.00003 -0.00009 160 2PZ -0.00001 -0.00294 -0.08708 0.00223 0.00011 161 3S 0.00000 0.00014 -0.00010 0.00000 -0.00002 162 3PX -0.00002 -0.00057 -0.02055 -0.00001 0.00001 163 3PY 0.00003 0.00109 0.02178 0.00001 0.00000 164 3PZ 0.00001 -0.00009 -0.00263 0.00009 0.00001 165 4S -0.00008 -0.00132 0.00062 -0.00002 -0.00016 166 4PX -0.00006 -0.00050 0.00594 -0.00001 -0.00025 167 4PY -0.00005 -0.00027 -0.00597 -0.00001 -0.00008 168 4PZ -0.00003 -0.00003 0.00073 -0.00003 -0.00001 169 5XX 0.00000 0.00008 -0.00059 0.00000 -0.00001 170 5YY 0.00001 -0.00003 -0.00071 0.00000 0.00002 171 5ZZ 0.00000 0.00003 0.00003 0.00000 -0.00004 172 5XY 0.00000 0.00008 0.00079 0.00000 0.00001 173 5XZ 0.00000 0.00000 -0.00009 0.00000 0.00000 174 5YZ 0.00000 0.00001 0.00010 -0.00001 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -7.22467 -7.22446 -7.22444 -7.22423 -6.59955 1 1 Al 1S 0.00000 0.00000 0.00001 0.00001 -0.00002 2 2S 0.00000 0.00000 0.00020 0.00018 -0.00033 3 2PX 0.00000 0.00000 -0.00003 -0.00003 -0.00007 4 2PY 0.00001 0.00000 -0.00001 0.00000 -0.00001 5 2PZ 0.00002 0.00002 0.00000 0.00000 0.00002 6 3S 0.00003 0.00000 0.00121 0.00112 -0.00186 7 3PX -0.00006 -0.00007 0.00009 0.00006 0.00020 8 3PY -0.00005 0.00000 -0.00001 0.00003 0.00002 9 3PZ -0.00017 -0.00016 0.00001 0.00001 0.00046 10 4S 0.00017 0.00027 -0.00640 -0.00600 0.01318 11 4PX -0.00007 -0.00013 0.00343 0.00311 -0.00538 12 4PY -0.00004 -0.00004 0.00075 0.00078 -0.00139 13 4PZ -0.00029 -0.00026 0.00004 0.00004 0.00236 14 5XX 0.00001 0.00002 -0.00010 -0.00015 -0.00020 15 5YY 0.00001 -0.00001 -0.00007 -0.00001 0.00019 16 5ZZ 0.00001 0.00001 0.00021 0.00020 0.00012 17 5XY 0.00002 0.00000 -0.00008 0.00006 -0.00015 18 5XZ 0.00009 0.00011 0.00001 0.00000 -0.00002 19 5YZ 0.00008 -0.00004 0.00002 0.00002 -0.00002 20 2 Al 1S 0.00000 0.00000 -0.00002 -0.00002 0.00001 21 2S -0.00001 0.00000 -0.00027 -0.00025 0.00031 22 2PX 0.00000 0.00000 0.00005 0.00005 -0.00008 23 2PY 0.00000 0.00000 0.00002 0.00000 -0.00002 24 2PZ 0.00006 0.00005 0.00001 0.00001 -0.00003 25 3S -0.00003 0.00001 -0.00216 -0.00197 0.00137 26 3PX 0.00005 0.00004 -0.00022 -0.00032 0.00006 27 3PY 0.00000 0.00002 -0.00032 0.00022 -0.00002 28 3PZ -0.00010 -0.00009 -0.00004 -0.00006 -0.00058 29 4S 0.00009 -0.00006 0.00792 0.00727 -0.01299 30 4PX -0.00008 -0.00026 0.00881 0.00704 -0.00549 31 4PY 0.00010 0.00028 -0.00042 0.00424 -0.00125 32 4PZ 0.00404 0.00355 0.00062 0.00028 -0.00251 33 5XX 0.00000 0.00000 0.00015 0.00032 0.00028 34 5YY 0.00003 0.00000 -0.00001 -0.00020 -0.00010 35 5ZZ 0.00000 0.00001 0.00032 0.00030 0.00000 36 5XY 0.00002 -0.00001 0.00032 -0.00016 0.00010 37 5XZ 0.00016 0.00018 -0.00001 0.00002 0.00000 38 5YZ 0.00012 -0.00006 0.00004 0.00001 0.00001 39 3 Br 1S 0.00001 0.00001 0.00001 0.00001 0.00005 40 2S 0.00003 0.00003 0.00002 0.00002 -0.00031 41 3S -0.00016 -0.00014 -0.00013 -0.00012 0.00039 42 4S 0.00002 0.00002 0.00003 0.00003 0.00034 43 5S 0.00107 0.00092 0.00153 0.00137 -0.00020 44 6S -0.00365 -0.00314 -0.00489 -0.00438 0.00099 45 7PX -0.00001 0.00000 -0.00001 -0.00001 -0.41900 46 7PY 0.00001 -0.00001 0.00000 0.00000 -0.09644 47 7PZ 0.00001 0.00001 0.00000 0.00000 -0.03707 48 8PX 0.00002 0.00001 0.00003 0.00003 1.02822 49 8PY -0.00003 0.00004 0.00001 0.00000 0.23666 50 8PZ -0.00002 -0.00002 0.00001 0.00001 0.09097 51 9PX -0.00019 -0.00008 -0.00023 -0.00023 0.02812 52 9PY 0.00016 -0.00023 -0.00010 -0.00002 0.00646 53 9PZ 0.00015 0.00015 -0.00009 -0.00009 0.00244 54 10PX 0.00087 0.00059 0.00134 0.00137 -0.01219 55 10PY -0.00017 0.00052 0.00067 0.00001 -0.00275 56 10PZ -0.00013 -0.00017 0.00082 0.00078 -0.00086 57 11XX 0.00013 0.00010 0.00007 0.00007 -0.00010 58 11YY 0.00011 0.00011 0.00010 0.00009 -0.00016 59 11ZZ 0.00011 0.00010 0.00011 0.00010 -0.00034 60 11XY -0.00002 0.00002 -0.00001 0.00000 -0.00006 61 11XZ 0.00000 -0.00001 0.00001 0.00001 -0.00139 62 11YZ -0.00001 0.00001 0.00000 0.00000 -0.00032 63 12XX 0.00050 0.00052 0.00090 0.00080 -0.00032 64 12YY 0.00067 0.00047 0.00072 0.00066 -0.00028 65 12ZZ 0.00068 0.00061 0.00061 0.00054 -0.00023 66 12XY 0.00010 -0.00015 0.00002 0.00005 0.00005 67 12XZ -0.00001 0.00003 -0.00012 -0.00012 0.00067 68 12YZ 0.00007 -0.00006 -0.00005 -0.00001 0.00014 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00001 70 2S 0.00000 0.00000 0.00002 -0.00001 0.00003 71 3S 0.00001 -0.00001 -0.00009 0.00004 -0.00016 72 4S 0.00000 0.00000 0.00001 -0.00001 0.00005 73 5S 0.00001 0.00003 0.00001 -0.00044 0.00190 74 6S -0.00001 -0.00009 -0.00014 0.00133 -0.00563 75 7PX 0.00000 0.00000 0.00000 0.00001 0.00002 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00001 77 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 78 8PX 0.00000 0.00000 0.00000 -0.00002 -0.00004 79 8PY 0.00000 0.00000 -0.00001 -0.00001 -0.00002 80 8PZ 0.00000 0.00000 0.00000 0.00000 0.00002 81 9PX 0.00000 -0.00001 0.00003 0.00015 -0.00028 82 9PY -0.00001 0.00000 0.00004 0.00006 -0.00003 83 9PZ 0.00002 -0.00003 0.00000 0.00000 0.00013 84 10PX 0.00001 0.00003 -0.00032 -0.00062 0.00153 85 10PY 0.00001 0.00000 -0.00012 -0.00008 -0.00036 86 10PZ 0.00000 0.00007 0.00000 0.00000 -0.00054 87 11XX -0.00001 0.00000 0.00007 -0.00003 0.00012 88 11YY -0.00001 0.00000 0.00008 -0.00001 0.00010 89 11ZZ -0.00001 0.00001 0.00006 -0.00003 0.00010 90 11XY 0.00000 0.00000 0.00001 0.00001 -0.00002 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00002 93 12XX -0.00002 0.00002 0.00015 -0.00017 0.00080 94 12YY -0.00001 0.00002 0.00007 -0.00029 0.00104 95 12ZZ -0.00001 0.00002 0.00023 -0.00019 0.00100 96 12XY 0.00000 0.00000 -0.00005 -0.00006 0.00017 97 12XZ 0.00002 0.00001 0.00000 0.00000 0.00001 98 12YZ 0.00002 0.00001 0.00000 0.00000 -0.00014 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00001 100 2S 0.00000 0.00000 -0.00003 0.00000 0.00010 101 2PX 0.00077 -0.00005 -0.01224 0.00072 0.00002 102 2PY 0.00006 -0.00025 0.00325 -0.00020 -0.00002 103 2PZ 0.00323 -0.00243 -0.00033 0.00007 -0.00002 104 3S 0.00000 0.00000 -0.00008 0.00001 0.00033 105 3PX 0.00002 0.00000 -0.00023 0.00003 -0.00013 106 3PY 0.00000 0.00000 0.00008 -0.00001 0.00003 107 3PZ 0.00007 -0.00004 -0.00001 0.00000 0.00009 108 4S -0.00002 -0.00004 0.00062 0.00024 -0.00233 109 4PX 0.00001 0.00002 -0.00046 -0.00024 0.00096 110 4PY 0.00001 0.00000 -0.00016 -0.00006 0.00063 111 4PZ 0.00004 0.00000 0.00000 0.00000 -0.00055 112 5XX 0.00000 0.00000 -0.00004 -0.00001 0.00015 113 5YY 0.00000 0.00000 -0.00004 -0.00001 0.00013 114 5ZZ 0.00000 0.00000 -0.00002 0.00003 0.00015 115 5XY 0.00000 0.00000 0.00003 0.00001 -0.00007 116 5XZ 0.00000 0.00001 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00005 118 6 Cl 1S 0.00000 0.00000 0.00001 0.00001 0.00000 119 2S -0.00003 -0.00003 0.00008 0.00007 0.00000 120 2PX -0.00008 0.00000 0.00009 0.00008 -0.00007 121 2PY 0.00015 -0.00020 0.00002 0.00002 -0.00001 122 2PZ -0.00016 -0.00013 0.00002 0.00002 0.00000 123 3S -0.00015 -0.00014 0.00028 0.00025 0.00000 124 3PX 0.00012 0.00002 -0.00014 -0.00013 0.00032 125 3PY -0.00016 0.00024 -0.00003 -0.00002 0.00007 126 3PZ 0.00021 0.00016 0.00001 0.00001 0.00002 127 4S 0.00121 0.00110 -0.00225 -0.00204 0.00001 128 4PX -0.00078 -0.00052 0.00118 0.00121 -0.00179 129 4PY 0.00026 -0.00066 0.00048 -0.00005 -0.00037 130 4PZ -0.00052 -0.00040 -0.00063 -0.00054 -0.00004 131 5XX 0.00000 -0.00003 0.00015 0.00013 0.00001 132 5YY -0.00004 -0.00001 0.00010 0.00009 0.00001 133 5ZZ -0.00006 -0.00005 0.00005 0.00005 0.00000 134 5XY -0.00003 0.00004 0.00001 0.00002 0.00000 135 5XZ -0.00001 -0.00001 0.00004 0.00004 -0.00007 136 5YZ 0.00001 -0.00003 0.00002 0.00000 -0.00001 137 7 Cl 1S 0.00000 0.00000 0.00002 -0.00001 -0.00001 138 2S 0.00000 0.00000 0.00001 -0.00006 -0.00011 139 2PX -0.05707 -0.00815 0.93988 -0.04231 0.00003 140 2PY 0.02217 0.00233 -0.30432 0.01127 -0.00002 141 2PZ 0.98716 -0.06181 0.06043 -0.00248 0.00002 142 3S 0.00001 -0.00002 0.00023 -0.00033 -0.00035 143 3PX -0.00166 -0.00026 0.02776 -0.00090 -0.00015 144 3PY 0.00064 0.00009 -0.00886 0.00051 0.00004 145 3PZ 0.02880 -0.00143 0.00180 -0.00006 -0.00009 146 4S -0.00002 0.00013 -0.00136 0.00220 0.00242 147 4PX 0.00048 0.00016 -0.01007 -0.00075 0.00107 148 4PY -0.00020 -0.00005 0.00247 0.00003 0.00064 149 4PZ -0.00918 -0.00066 -0.00068 -0.00005 0.00054 150 5XX -0.00001 -0.00001 0.00021 -0.00015 -0.00015 151 5YY 0.00000 -0.00001 0.00001 -0.00005 -0.00014 152 5ZZ 0.00000 -0.00001 0.00012 -0.00011 -0.00017 153 5XY -0.00001 0.00000 0.00008 -0.00003 0.00008 154 5XZ 0.00007 -0.00003 0.00000 0.00000 -0.00001 155 5YZ 0.00019 -0.00009 0.00001 0.00000 0.00006 156 8 Cl 1S 0.00000 0.00000 -0.00001 0.00002 -0.00001 157 2S 0.00000 0.00000 -0.00006 0.00002 -0.00010 158 2PX -0.00434 -0.06718 0.02929 0.72118 0.00002 159 2PY 0.00340 0.05619 0.03246 0.67806 0.00003 160 2PZ 0.06079 0.98511 0.01243 0.00997 0.00002 161 3S -0.00001 0.00001 -0.00031 0.00026 -0.00032 162 3PX -0.00015 -0.00196 0.00126 0.02132 -0.00012 163 3PY 0.00011 0.00165 0.00094 0.01992 -0.00011 164 3PZ 0.00215 0.02869 0.00039 0.00031 -0.00008 165 4S 0.00011 -0.00005 0.00206 -0.00156 0.00228 166 4PX 0.00011 0.00059 -0.00137 -0.00797 0.00119 167 4PY -0.00011 -0.00053 -0.00093 -0.00649 -0.00005 168 4PZ -0.00179 -0.00901 -0.00015 -0.00020 0.00058 169 5XX 0.00000 -0.00002 -0.00013 0.00025 -0.00009 170 5YY 0.00000 -0.00002 -0.00005 0.00000 -0.00019 171 5ZZ -0.00001 0.00003 -0.00010 0.00013 -0.00015 172 5XY -0.00001 0.00002 -0.00002 0.00004 -0.00005 173 5XZ -0.00005 0.00014 0.00000 0.00001 0.00002 174 5YZ 0.00005 -0.00014 -0.00001 0.00001 -0.00005 36 37 38 39 40 O O O O O Eigenvalues -- -6.59918 -6.59395 -6.54946 -6.54285 -6.54259 1 1 Al 1S -0.00002 0.00000 0.00003 0.00000 0.00002 2 2S 0.00000 0.00001 -0.00001 0.00000 0.00024 3 2PX -0.00001 0.00000 0.00018 0.00000 0.00001 4 2PY -0.00001 -0.00003 -0.00020 0.00000 -0.00002 5 2PZ -0.00002 0.00000 0.00000 0.00002 0.00000 6 3S -0.00164 0.00001 0.00326 -0.00003 0.00189 7 3PX 0.00119 -0.00007 0.00018 -0.00004 -0.00019 8 3PY 0.00024 0.00030 0.00004 -0.00002 0.00029 9 3PZ -0.00099 -0.00002 0.00001 0.00001 0.00001 10 4S -0.00287 -0.00037 0.00681 0.00002 -0.00712 11 4PX 0.00172 -0.00063 -0.00035 -0.00004 0.00604 12 4PY 0.00032 0.00255 -0.00249 0.00006 0.00371 13 4PZ -0.00002 -0.00016 0.00009 0.00299 -0.00029 14 5XX 0.00009 0.00003 -0.00147 0.00002 -0.00013 15 5YY 0.00020 0.00001 -0.00168 -0.00001 -0.00005 16 5ZZ 0.00047 0.00000 -0.00071 0.00001 -0.00028 17 5XY -0.00002 -0.00007 0.00116 -0.00002 0.00010 18 5XZ 0.00001 -0.00003 -0.00008 -0.00004 0.00001 19 5YZ 0.00002 0.00016 0.00002 -0.00013 -0.00002 20 2 Al 1S -0.00003 0.00000 0.00000 0.00000 -0.00001 21 2S -0.00005 0.00000 0.00008 0.00000 -0.00017 22 2PX 0.00002 0.00001 0.00003 0.00000 -0.00002 23 2PY 0.00000 -0.00004 0.00000 0.00000 0.00000 24 2PZ -0.00002 0.00000 0.00000 0.00001 0.00000 25 3S -0.00197 -0.00001 0.00032 0.00003 -0.00100 26 3PX -0.00115 -0.00007 -0.00018 0.00006 0.00000 27 3PY -0.00031 0.00032 0.00002 -0.00001 0.00000 28 3PZ -0.00094 -0.00002 0.00001 -0.00014 -0.00002 29 4S -0.00107 0.00006 -0.00226 0.00015 0.00541 30 4PX -0.00089 -0.00047 -0.00124 0.00008 0.00292 31 4PY -0.00016 0.00219 0.00060 0.00001 0.00051 32 4PZ 0.00029 -0.00012 -0.00009 -0.00023 0.00004 33 5XX 0.00008 -0.00002 -0.00008 0.00002 0.00009 34 5YY 0.00024 0.00003 0.00003 0.00000 0.00001 35 5ZZ 0.00051 -0.00002 0.00006 0.00000 -0.00017 36 5XY -0.00005 0.00004 -0.00003 -0.00001 -0.00003 37 5XZ -0.00001 -0.00004 -0.00001 -0.00009 0.00003 38 5YZ 0.00001 0.00016 -0.00001 0.00002 -0.00001 39 3 Br 1S 0.00055 0.00000 0.00000 0.00000 0.00000 40 2S -0.00375 0.00001 -0.00001 0.00002 -0.00002 41 3S 0.00495 0.00000 0.00004 -0.00010 0.00011 42 4S 0.00392 -0.00001 -0.00001 0.00002 -0.00004 43 5S -0.00493 -0.00007 0.00075 0.00085 -0.00143 44 6S 0.01898 0.00020 -0.00202 -0.00278 0.00442 45 7PX 0.04109 0.09482 0.00000 0.00001 -0.00004 46 7PY -0.01347 -0.42054 0.00003 0.00005 0.00000 47 7PZ -0.42941 0.02226 0.00004 0.00003 0.00001 48 8PX -0.10083 -0.23273 -0.00001 -0.00003 0.00012 49 8PY 0.03306 1.03215 -0.00008 -0.00012 0.00001 50 8PZ 1.05380 -0.05464 -0.00010 -0.00007 -0.00003 51 9PX -0.00274 -0.00596 0.00011 0.00010 -0.00026 52 9PY 0.00087 0.02638 0.00008 0.00017 0.00001 53 9PZ 0.02819 -0.00140 0.00009 0.00011 0.00009 54 10PX 0.00114 0.00180 -0.00105 -0.00060 0.00142 55 10PY -0.00027 -0.00772 -0.00015 -0.00038 -0.00007 56 10PZ -0.01016 0.00039 0.00028 -0.00011 -0.00070 57 11XX -0.00176 -0.00001 -0.00003 0.00008 -0.00007 58 11YY -0.00173 -0.00011 -0.00004 0.00008 -0.00008 59 11ZZ -0.00427 0.00012 -0.00003 0.00007 -0.00009 60 11XY 0.00000 0.00003 0.00000 0.00001 0.00001 61 11XZ 0.00016 0.00031 -0.00001 0.00000 0.00001 62 11YZ -0.00012 -0.00137 0.00000 0.00000 0.00000 63 12XX -0.00479 -0.00002 0.00009 0.00042 -0.00077 64 12YY -0.00525 -0.00002 0.00027 0.00044 -0.00073 65 12ZZ -0.00427 -0.00007 0.00014 0.00053 -0.00062 66 12XY 0.00013 -0.00002 0.00001 -0.00008 -0.00009 67 12XZ -0.00008 -0.00007 0.00018 0.00000 -0.00015 68 12YZ 0.00004 0.00031 -0.00002 0.00003 0.00003 69 4 Br 1S 0.00000 -0.00001 -0.00061 0.00000 -0.00001 70 2S 0.00002 -0.00003 0.00423 -0.00001 -0.00004 71 3S -0.00009 0.00015 -0.00560 0.00002 0.00018 72 4S 0.00002 -0.00003 -0.00441 0.00001 -0.00006 73 5S -0.00009 -0.00125 0.00393 -0.00001 -0.00135 74 6S -0.00001 0.00401 -0.01831 0.00005 0.00409 75 7PX 0.00001 0.00001 0.29423 -0.00703 -0.31568 76 7PY -0.00002 -0.00001 -0.31560 -0.01698 -0.29393 77 7PZ -0.00001 -0.00002 0.00762 -0.43129 0.01672 78 8PX -0.00003 -0.00002 -0.72204 0.01726 0.77477 79 8PY 0.00005 0.00003 0.77447 0.04167 0.72140 80 8PZ 0.00003 0.00005 -0.01871 1.05852 -0.04103 81 9PX 0.00000 0.00001 -0.01952 0.00044 0.02009 82 9PY 0.00014 0.00007 0.02071 0.00105 0.01842 83 9PZ 0.00010 0.00014 -0.00051 0.02692 -0.00106 84 10PX -0.00039 -0.00043 0.00656 -0.00009 -0.00680 85 10PY -0.00022 0.00004 -0.00633 -0.00026 -0.00507 86 10PZ -0.00011 -0.00021 0.00016 -0.00738 0.00034 87 11XX 0.00005 -0.00011 0.00331 -0.00004 -0.00149 88 11YY 0.00007 -0.00010 0.00348 0.00007 0.00124 89 11ZZ 0.00007 -0.00010 0.00204 -0.00006 -0.00013 90 11XY 0.00000 -0.00001 -0.00157 -0.00002 0.00013 91 11XZ -0.00001 -0.00001 0.00004 -0.00106 0.00002 92 11YZ -0.00001 0.00000 -0.00004 0.00113 -0.00007 93 12XX 0.00026 -0.00064 0.00487 -0.00002 -0.00042 94 12YY 0.00007 -0.00073 0.00504 -0.00003 -0.00116 95 12ZZ 0.00011 -0.00070 0.00479 -0.00001 -0.00084 96 12XY -0.00003 0.00003 -0.00015 0.00001 -0.00015 97 12XZ 0.00006 0.00007 0.00001 0.00016 -0.00001 98 12YZ 0.00005 0.00001 -0.00001 -0.00019 0.00002 99 5 Cl 1S 0.00000 0.00001 0.00000 0.00000 0.00001 100 2S -0.00002 0.00006 0.00005 0.00000 0.00006 101 2PX 0.00000 -0.00001 0.00002 0.00000 -0.00007 102 2PY 0.00003 -0.00003 -0.00002 0.00000 -0.00003 103 2PZ -0.00003 0.00004 0.00000 -0.00007 0.00000 104 3S -0.00004 0.00021 0.00011 -0.00002 0.00025 105 3PX 0.00002 0.00001 -0.00007 0.00000 0.00029 106 3PY -0.00011 0.00012 0.00005 0.00002 0.00009 107 3PZ 0.00011 -0.00015 0.00000 0.00031 -0.00001 108 4S 0.00040 -0.00157 -0.00099 0.00012 -0.00166 109 4PX -0.00041 0.00026 0.00008 0.00000 -0.00109 110 4PY 0.00003 -0.00001 0.00060 -0.00008 0.00015 111 4PZ -0.00015 0.00025 -0.00003 -0.00098 0.00000 112 5XX 0.00003 0.00007 0.00013 -0.00001 0.00014 113 5YY 0.00000 0.00010 -0.00001 0.00000 0.00006 114 5ZZ 0.00000 0.00009 0.00005 -0.00001 0.00011 115 5XY 0.00005 -0.00002 0.00006 0.00000 0.00005 116 5XZ 0.00001 -0.00001 -0.00001 0.00001 -0.00001 117 5YZ -0.00002 0.00000 0.00000 0.00005 0.00000 118 6 Cl 1S -0.00001 0.00000 0.00000 0.00000 -0.00001 119 2S -0.00007 0.00000 0.00005 -0.00003 -0.00008 120 2PX 0.00001 0.00002 0.00000 0.00000 0.00003 121 2PY 0.00000 -0.00009 -0.00002 0.00004 0.00000 122 2PZ -0.00005 0.00000 0.00004 -0.00004 0.00000 123 3S -0.00036 -0.00001 0.00016 -0.00011 -0.00025 124 3PX -0.00003 -0.00009 0.00001 -0.00004 -0.00015 125 3PY 0.00000 0.00037 0.00008 -0.00016 -0.00001 126 3PZ 0.00021 -0.00002 -0.00014 0.00015 -0.00003 127 4S 0.00245 0.00008 -0.00129 0.00095 0.00196 128 4PX 0.00012 0.00034 -0.00089 0.00053 0.00120 129 4PY 0.00004 -0.00127 -0.00020 0.00044 0.00000 130 4PZ 0.00015 0.00008 -0.00014 -0.00036 0.00059 131 5XX -0.00006 0.00000 0.00000 -0.00002 -0.00013 132 5YY -0.00004 -0.00001 0.00007 -0.00002 -0.00011 133 5ZZ -0.00014 0.00000 0.00002 -0.00006 -0.00007 134 5XY -0.00001 0.00000 0.00001 0.00002 -0.00003 135 5XZ 0.00001 0.00002 -0.00007 0.00001 0.00004 136 5YZ 0.00000 -0.00006 0.00001 0.00001 -0.00001 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 -0.00005 -0.00003 0.00000 0.00001 139 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 140 2PY -0.00003 -0.00003 0.00000 0.00000 0.00000 141 2PZ -0.00003 -0.00003 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00019 -0.00010 0.00000 0.00003 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 144 3PY 0.00011 0.00012 0.00000 -0.00001 0.00000 145 3PZ 0.00011 0.00013 -0.00001 0.00001 0.00000 146 4S 0.00007 0.00145 0.00080 -0.00002 -0.00040 147 4PX 0.00027 0.00025 0.00019 -0.00001 -0.00033 148 4PY -0.00012 -0.00002 0.00012 0.00000 -0.00009 149 4PZ -0.00019 -0.00022 0.00002 0.00000 -0.00001 150 5XX 0.00005 -0.00006 -0.00006 0.00000 0.00002 151 5YY 0.00002 -0.00009 -0.00006 0.00000 0.00003 152 5ZZ 0.00001 -0.00008 -0.00005 0.00000 0.00000 153 5XY 0.00004 0.00001 0.00001 0.00000 -0.00002 154 5XZ -0.00001 -0.00001 0.00000 0.00000 0.00000 155 5YZ 0.00001 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00006 0.00001 0.00000 0.00002 158 2PX -0.00001 0.00002 0.00001 0.00000 -0.00002 159 2PY 0.00002 -0.00002 0.00000 0.00000 -0.00001 160 2PZ -0.00003 0.00004 0.00000 0.00000 0.00000 161 3S 0.00001 0.00019 0.00005 0.00001 0.00005 162 3PX 0.00004 -0.00005 -0.00003 0.00000 0.00010 163 3PY -0.00009 0.00010 -0.00001 0.00000 0.00006 164 3PZ 0.00012 -0.00014 0.00000 -0.00002 0.00000 165 4S 0.00005 -0.00147 -0.00031 -0.00003 -0.00042 166 4PX 0.00019 -0.00023 0.00007 -0.00002 -0.00048 167 4PY 0.00020 -0.00010 0.00006 0.00000 -0.00012 168 4PZ -0.00021 0.00023 0.00000 0.00005 -0.00001 169 5XX 0.00007 0.00006 0.00002 0.00000 0.00001 170 5YY -0.00001 0.00010 0.00002 0.00000 0.00004 171 5ZZ 0.00001 0.00008 0.00003 0.00000 0.00002 172 5XY -0.00001 0.00000 0.00001 0.00000 0.00001 173 5XZ 0.00000 0.00001 0.00000 0.00000 0.00000 174 5YZ -0.00002 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 O O O O O Eigenvalues -- -4.24706 -4.24560 -2.80163 -2.80077 -2.80023 1 1 Al 1S -0.26159 -0.00009 -0.00006 -0.00129 0.00001 2 2S 1.02356 0.00035 0.00024 0.00520 -0.00008 3 2PX -0.00421 0.00002 0.06133 0.97115 -0.00557 4 2PY -0.00119 0.00001 0.07066 0.18851 -0.00096 5 2PZ 0.00015 0.00000 0.98812 -0.07378 0.00084 6 3S 0.06966 -0.00037 -0.00020 -0.00304 -0.00006 7 3PX -0.00130 -0.00083 0.00207 0.03359 0.00004 8 3PY -0.00028 -0.00018 0.00228 0.00650 0.00003 9 3PZ 0.00007 0.00006 0.03138 -0.00250 0.00026 10 4S -0.01008 0.00351 -0.00130 0.00018 0.00100 11 4PX 0.00148 -0.00240 0.00013 -0.00667 -0.00025 12 4PY 0.00011 -0.00037 -0.00031 -0.00135 -0.00017 13 4PZ 0.00011 0.00028 -0.00651 0.00024 -0.00064 14 5XX -0.01656 0.00023 -0.00006 -0.00059 -0.00015 15 5YY -0.01685 0.00018 0.00007 0.00370 -0.00007 16 5ZZ -0.01734 0.00036 0.00022 -0.00039 -0.00003 17 5XY -0.00004 0.00002 -0.00022 -0.00154 -0.00004 18 5XZ -0.00011 -0.00002 -0.00274 0.00035 -0.00023 19 5YZ -0.00006 0.00001 -0.00079 -0.00019 -0.00005 20 2 Al 1S 0.00008 -0.26158 0.00000 -0.00002 -0.00004 21 2S -0.00032 1.02355 -0.00004 -0.00014 0.00017 22 2PX -0.00002 0.00450 -0.00125 -0.00776 -0.10221 23 2PY 0.00000 0.00100 -0.00031 -0.00143 0.03113 24 2PZ 0.00000 0.00030 -0.00054 0.00492 0.98675 25 3S -0.00043 0.07040 -0.00006 -0.00087 -0.00017 26 3PX 0.00081 0.00127 -0.00031 -0.00154 -0.00335 27 3PY 0.00017 0.00029 -0.00006 -0.00032 0.00097 28 3PZ 0.00008 0.00011 0.00019 0.00013 0.03137 29 4S 0.00389 -0.01008 0.00079 -0.00187 -0.00127 30 4PX 0.00241 -0.00140 0.00030 -0.00041 0.00009 31 4PY 0.00063 -0.00037 0.00002 -0.00015 -0.00030 32 4PZ 0.00037 0.00007 -0.00060 -0.00020 -0.00640 33 5XX 0.00026 -0.01675 -0.00019 0.00005 -0.00034 34 5YY 0.00019 -0.01709 -0.00004 -0.00019 0.00017 35 5ZZ 0.00038 -0.01746 -0.00003 -0.00057 0.00037 36 5XY 0.00001 0.00010 -0.00002 0.00007 0.00004 37 5XZ 0.00001 0.00015 0.00022 0.00002 0.00292 38 5YZ 0.00002 0.00001 0.00005 -0.00002 0.00066 39 3 Br 1S 0.00000 0.00000 -0.00004 0.00003 -0.00004 40 2S 0.00012 0.00012 0.00023 -0.00032 0.00025 41 3S -0.00037 -0.00037 -0.00025 0.00059 -0.00029 42 4S 0.00012 0.00012 -0.00042 0.00030 -0.00043 43 5S 0.00363 0.00355 0.00120 -0.00391 0.00140 44 6S -0.01046 -0.01026 -0.00233 0.01032 -0.00292 45 7PX 0.00002 -0.00002 0.00009 -0.00006 -0.00009 46 7PY 0.00000 -0.00001 0.00002 -0.00001 -0.00002 47 7PZ -0.00005 -0.00006 -0.00008 0.00012 -0.00009 48 8PX -0.00004 0.00004 -0.00024 0.00016 0.00024 49 8PY 0.00000 0.00002 -0.00004 0.00002 0.00007 50 8PZ 0.00016 0.00017 0.00024 -0.00034 0.00026 51 9PX -0.00017 0.00019 0.00025 0.00018 -0.00024 52 9PY -0.00008 0.00002 0.00004 0.00006 -0.00007 53 9PZ -0.00049 -0.00049 -0.00031 0.00067 -0.00034 54 10PX -0.00084 0.00073 -0.00230 0.00131 0.00221 55 10PY 0.00003 0.00032 -0.00039 0.00012 0.00064 56 10PZ 0.00320 0.00322 0.00226 -0.00421 0.00247 57 11XX 0.00023 0.00022 0.00148 -0.00051 0.00123 58 11YY 0.00014 0.00014 -0.00170 0.00176 -0.00170 59 11ZZ 0.00025 0.00025 0.00055 -0.00222 0.00086 60 11XY 0.00002 0.00002 0.00068 -0.00043 0.00102 61 11XZ -0.00005 0.00005 -0.00350 0.00386 0.00370 62 11YZ 0.00000 0.00002 -0.00066 0.00065 0.00100 63 12XX 0.00174 0.00176 -0.00061 -0.00204 -0.00042 64 12YY 0.00243 0.00237 0.00063 -0.00248 0.00072 65 12ZZ 0.00154 0.00148 0.00040 -0.00078 0.00045 66 12XY -0.00015 -0.00020 -0.00029 0.00010 -0.00035 67 12XZ 0.00044 -0.00041 0.00075 -0.00061 -0.00076 68 12YZ 0.00004 -0.00015 0.00015 -0.00005 -0.00019 69 4 Br 1S -0.00003 0.00000 0.00000 -0.00007 0.00000 70 2S 0.00012 -0.00003 0.00001 0.00041 0.00001 71 3S -0.00013 0.00014 0.00000 -0.00046 -0.00003 72 4S -0.00002 -0.00004 -0.00003 -0.00064 0.00002 73 5S 0.00198 -0.00037 -0.00015 0.00130 0.00031 74 6S -0.00601 0.00134 0.00049 -0.00351 -0.00093 75 7PX -0.00009 0.00000 0.00000 -0.00014 0.00000 76 7PY 0.00011 -0.00001 0.00001 0.00020 0.00000 77 7PZ 0.00000 0.00000 0.00004 -0.00001 0.00000 78 8PX 0.00027 -0.00001 0.00000 0.00039 0.00000 79 8PY -0.00032 0.00002 -0.00002 -0.00056 0.00000 80 8PZ 0.00001 0.00000 -0.00011 0.00003 0.00002 81 9PX -0.00031 0.00004 0.00002 -0.00033 -0.00004 82 9PY 0.00048 -0.00010 0.00002 0.00044 0.00001 83 9PZ -0.00001 0.00002 0.00007 -0.00004 -0.00009 84 10PX 0.00192 0.00015 -0.00014 0.00156 0.00017 85 10PY -0.00237 0.00031 -0.00010 -0.00253 -0.00007 86 10PZ 0.00004 -0.00009 -0.00064 0.00021 0.00025 87 11XX 0.00004 -0.00009 -0.00008 -0.00011 0.00002 88 11YY 0.00005 -0.00010 0.00021 0.00290 0.00001 89 11ZZ -0.00008 -0.00008 -0.00014 -0.00222 0.00003 90 11XY -0.00013 0.00000 -0.00015 -0.00407 0.00002 91 11XZ 0.00000 0.00000 -0.00112 0.00022 0.00000 92 11YZ 0.00000 0.00000 0.00121 -0.00028 0.00000 93 12XX 0.00094 -0.00044 -0.00003 0.00098 0.00017 94 12YY 0.00097 -0.00030 -0.00019 -0.00025 0.00019 95 12ZZ 0.00109 -0.00045 -0.00006 0.00052 0.00019 96 12XY 0.00011 0.00003 0.00001 0.00014 0.00002 97 12XZ 0.00000 0.00001 0.00057 -0.00005 -0.00005 98 12YZ 0.00000 -0.00002 -0.00060 0.00008 0.00003 99 5 Cl 1S 0.00004 0.00000 0.00000 0.00012 0.00000 100 2S -0.00013 0.00000 -0.00003 -0.00050 0.00002 101 2PX 0.00007 0.00000 0.00000 0.00005 0.00000 102 2PY 0.00038 -0.00001 0.00001 0.00057 0.00000 103 2PZ -0.00003 0.00000 -0.00011 -0.00003 0.00001 104 3S -0.00015 -0.00004 -0.00002 0.00054 0.00005 105 3PX -0.00006 0.00000 0.00002 -0.00011 -0.00002 106 3PY -0.00068 0.00007 -0.00003 -0.00072 -0.00001 107 3PZ 0.00005 0.00001 0.00008 0.00003 -0.00008 108 4S -0.00281 0.00001 0.00016 -0.00203 -0.00028 109 4PX 0.00050 0.00029 -0.00013 -0.00005 0.00008 110 4PY 0.00288 -0.00014 -0.00001 0.00266 0.00012 111 4PZ -0.00024 -0.00006 -0.00073 -0.00007 0.00025 112 5XX 0.00020 -0.00004 -0.00001 0.00004 0.00002 113 5YY 0.00079 -0.00002 0.00002 0.00031 0.00001 114 5ZZ 0.00018 -0.00005 -0.00004 -0.00005 0.00002 115 5XY 0.00018 -0.00003 0.00002 0.00026 0.00000 116 5XZ -0.00001 0.00000 0.00005 -0.00002 -0.00001 117 5YZ -0.00005 0.00000 0.00016 -0.00004 -0.00001 118 6 Cl 1S 0.00003 0.00003 -0.00010 -0.00010 -0.00010 119 2S 0.00010 0.00009 0.00028 0.00017 0.00030 120 2PX -0.00005 0.00006 0.00028 0.00013 -0.00032 121 2PY -0.00002 0.00001 0.00008 0.00005 -0.00005 122 2PZ -0.00011 -0.00012 0.00028 0.00028 0.00028 123 3S 0.00061 0.00057 -0.00110 -0.00126 -0.00109 124 3PX -0.00016 0.00013 -0.00033 0.00020 0.00037 125 3PY -0.00003 0.00005 -0.00010 0.00001 0.00006 126 3PZ 0.00024 0.00025 -0.00042 -0.00040 -0.00042 127 4S -0.00421 -0.00413 0.00308 0.00431 0.00305 128 4PX -0.00079 0.00099 0.00291 0.00057 -0.00313 129 4PY -0.00029 0.00004 0.00081 0.00039 -0.00053 130 4PZ -0.00272 -0.00270 0.00285 0.00358 0.00273 131 5XX 0.00026 0.00027 0.00023 -0.00029 0.00024 132 5YY 0.00037 0.00037 -0.00013 -0.00028 -0.00012 133 5ZZ 0.00020 0.00021 -0.00010 0.00018 -0.00012 134 5XY -0.00003 -0.00003 0.00010 0.00001 0.00009 135 5XZ -0.00002 0.00001 0.00016 0.00007 -0.00013 136 5YZ -0.00001 -0.00001 0.00004 0.00005 -0.00003 137 7 Cl 1S 0.00000 0.00005 0.00000 0.00001 0.00000 138 2S 0.00000 -0.00012 0.00001 0.00002 -0.00002 139 2PX 0.00000 -0.00009 0.00000 -0.00005 0.00001 140 2PY 0.00001 -0.00037 0.00000 -0.00002 -0.00002 141 2PZ 0.00000 0.00000 0.00001 0.00000 -0.00011 142 3S -0.00003 -0.00012 0.00005 0.00014 -0.00002 143 3PX 0.00001 0.00010 0.00003 0.00023 -0.00003 144 3PY -0.00006 0.00068 0.00001 0.00010 0.00003 145 3PZ 0.00002 -0.00001 -0.00007 0.00000 0.00009 146 4S 0.00002 -0.00305 -0.00029 -0.00034 0.00019 147 4PX -0.00032 -0.00066 -0.00009 -0.00041 0.00018 148 4PY 0.00010 -0.00290 -0.00010 -0.00022 -0.00004 149 4PZ -0.00009 0.00001 0.00024 0.00002 -0.00076 150 5XX -0.00003 0.00023 0.00002 0.00006 0.00000 151 5YY -0.00001 0.00080 0.00002 0.00006 -0.00002 152 5ZZ -0.00004 0.00019 0.00002 0.00008 -0.00001 153 5XY -0.00004 0.00021 0.00000 0.00002 0.00002 154 5XZ 0.00000 -0.00001 0.00001 0.00000 -0.00006 155 5YZ -0.00001 -0.00001 0.00001 0.00000 -0.00016 156 8 Cl 1S 0.00000 0.00005 0.00000 0.00001 0.00000 157 2S 0.00000 -0.00012 0.00001 0.00002 -0.00002 158 2PX 0.00001 -0.00024 -0.00001 -0.00005 0.00000 159 2PY -0.00001 0.00030 0.00000 0.00000 0.00001 160 2PZ 0.00000 -0.00003 0.00001 0.00000 -0.00012 161 3S -0.00002 -0.00013 0.00005 0.00013 -0.00002 162 3PX -0.00002 0.00038 0.00003 0.00026 -0.00002 163 3PY 0.00006 -0.00057 -0.00001 0.00001 -0.00003 164 3PZ 0.00001 0.00006 -0.00007 0.00001 0.00009 165 4S -0.00005 -0.00298 -0.00027 -0.00032 0.00015 166 4PX -0.00025 -0.00181 -0.00013 -0.00048 0.00016 167 4PY -0.00023 0.00233 0.00007 0.00003 0.00004 168 4PZ -0.00008 -0.00028 0.00023 0.00001 -0.00077 169 5XX -0.00005 0.00047 0.00002 0.00007 0.00002 170 5YY 0.00001 0.00055 0.00002 0.00005 0.00000 171 5ZZ -0.00003 0.00019 0.00002 0.00008 -0.00004 172 5XY 0.00001 -0.00039 0.00000 -0.00001 -0.00002 173 5XZ -0.00001 0.00004 0.00001 0.00000 -0.00012 174 5YZ 0.00000 -0.00005 -0.00001 0.00000 0.00012 46 47 48 49 50 O O O O O Eigenvalues -- -2.79927 -2.79895 -2.79749 -2.71775 -2.71759 1 1 Al 1S 0.00000 -0.00009 0.00000 -0.00007 0.00000 2 2S 0.00022 0.00044 0.00001 0.00021 -0.00006 3 2PX 0.00780 -0.19286 -0.00054 -0.00400 0.00085 4 2PY -0.00073 0.97138 0.00247 -0.00069 0.00022 5 2PZ 0.00096 -0.05749 -0.00014 0.00420 0.00051 6 3S 0.00081 0.00052 0.00000 0.00046 0.00021 7 3PX -0.00101 -0.00663 0.00007 -0.00107 0.00094 8 3PY -0.00033 0.03397 -0.00017 -0.00017 0.00019 9 3PZ 0.00001 -0.00201 0.00001 0.00157 0.00003 10 4S 0.00150 0.00054 -0.00011 0.00443 0.00029 11 4PX -0.00069 0.00053 -0.00036 -0.00202 0.00065 12 4PY 0.00007 -0.00509 0.00172 -0.00049 0.00009 13 4PZ 0.00013 0.00029 -0.00009 -0.00001 0.00075 14 5XX -0.00007 -0.00094 -0.00001 -0.00012 -0.00089 15 5YY 0.00022 0.00076 0.00005 -0.00025 -0.00010 16 5ZZ 0.00058 -0.00009 0.00001 0.00031 0.00017 17 5XY -0.00008 0.00190 0.00003 0.00000 -0.00023 18 5XZ -0.00002 -0.00009 0.00000 -0.00052 0.00018 19 5YZ 0.00002 -0.00006 -0.00002 -0.00010 0.00004 20 2 Al 1S 0.00135 0.00000 -0.00001 0.00007 0.00001 21 2S -0.00549 -0.00001 0.00003 -0.00023 -0.00007 22 2PX 0.96266 0.00278 -0.21672 -0.00394 -0.00117 23 2PY 0.22092 -0.00190 0.96664 -0.00113 -0.00025 24 2PZ 0.09280 0.00025 -0.05295 -0.00463 0.00025 25 3S 0.00276 0.00006 -0.00001 -0.00064 0.00022 26 3PX 0.03343 0.00007 -0.00760 -0.00093 -0.00100 27 3PY 0.00767 -0.00028 0.03387 -0.00030 -0.00023 28 3PZ 0.00318 0.00002 -0.00185 -0.00161 -0.00009 29 4S -0.00077 -0.00048 0.00002 -0.00435 -0.00017 30 4PX -0.00665 -0.00064 0.00120 -0.00194 -0.00090 31 4PY -0.00160 0.00161 -0.00529 -0.00043 -0.00013 32 4PZ -0.00037 -0.00011 0.00029 -0.00007 0.00072 33 5XX 0.00085 -0.00001 0.00078 0.00026 -0.00087 34 5YY -0.00383 -0.00004 -0.00078 0.00028 -0.00009 35 5ZZ 0.00046 -0.00001 0.00001 -0.00031 0.00014 36 5XY 0.00128 -0.00004 -0.00192 -0.00004 -0.00023 37 5XZ 0.00021 0.00000 0.00013 -0.00047 -0.00025 38 5YZ 0.00033 -0.00002 -0.00007 -0.00014 -0.00005 39 3 Br 1S -0.00003 0.00000 0.00000 0.00000 0.00001 40 2S 0.00032 -0.00001 0.00000 0.00002 -0.00007 41 3S -0.00058 0.00002 0.00000 -0.00003 0.00009 42 4S -0.00032 0.00001 0.00000 -0.00003 0.00006 43 5S 0.00363 -0.00012 -0.00004 0.00008 -0.00099 44 6S -0.00957 0.00027 0.00012 -0.00016 0.00217 45 7PX -0.00006 -0.00001 -0.00001 -0.00067 0.00001 46 7PY -0.00002 0.00003 0.00003 -0.00015 -0.00004 47 7PZ -0.00012 0.00000 0.00000 0.00000 -0.00069 48 8PX 0.00015 0.00003 0.00002 0.00175 -0.00002 49 8PY 0.00005 -0.00009 -0.00009 0.00039 0.00009 50 8PZ 0.00035 -0.00001 0.00000 0.00001 0.00182 51 9PX 0.00023 -0.00007 -0.00009 0.00013 0.00002 52 9PY 0.00002 0.00039 0.00036 0.00003 -0.00002 53 9PZ -0.00065 0.00001 -0.00002 0.00000 -0.00035 54 10PX 0.00104 0.00028 0.00032 -0.00426 -0.00010 55 10PY 0.00043 -0.00143 -0.00136 -0.00096 -0.00010 56 10PZ 0.00412 -0.00005 0.00005 -0.00002 -0.00176 57 11XX 0.00013 -0.00030 0.00026 -0.02015 -0.83114 58 11YY -0.00171 0.00026 -0.00034 0.01451 -0.01545 59 11ZZ 0.00251 0.00000 0.00007 0.00567 0.84650 60 11XY 0.00073 0.00065 -0.00064 0.04661 -0.22342 61 11XZ 0.00388 0.00026 0.00021 0.96928 -0.01474 62 11YZ 0.00115 -0.00070 -0.00078 0.21961 0.04766 63 12XX 0.00198 0.00018 -0.00023 -0.00049 -0.01907 64 12YY 0.00230 -0.00025 0.00027 0.00039 -0.00100 65 12ZZ 0.00063 -0.00012 -0.00010 0.00020 0.01908 66 12XY -0.00013 -0.00059 0.00051 0.00111 -0.00494 67 12XZ -0.00048 -0.00017 -0.00022 0.02331 -0.00030 68 12YZ -0.00021 0.00084 0.00084 0.00528 0.00112 69 4 Br 1S -0.00001 0.00011 0.00000 0.00000 0.00000 70 2S -0.00004 -0.00068 0.00000 -0.00001 0.00000 71 3S 0.00019 0.00084 0.00000 0.00004 -0.00001 72 4S -0.00009 0.00095 0.00000 0.00000 0.00001 73 5S -0.00088 -0.00295 -0.00031 0.00044 0.00040 74 6S 0.00274 0.00849 0.00111 -0.00102 -0.00114 75 7PX 0.00002 0.00029 -0.00001 0.00000 0.00000 76 7PY 0.00000 -0.00028 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00001 0.00000 0.00000 0.00000 78 8PX -0.00006 -0.00084 0.00002 0.00001 -0.00001 79 8PY 0.00000 0.00080 0.00000 0.00001 -0.00002 80 8PZ 0.00000 -0.00002 0.00000 0.00001 -0.00001 81 9PX 0.00031 0.00082 -0.00011 -0.00009 0.00006 82 9PY -0.00003 -0.00069 0.00001 -0.00003 0.00009 83 9PZ 0.00001 0.00001 -0.00002 -0.00003 0.00008 84 10PX -0.00057 -0.00371 0.00011 0.00049 -0.00005 85 10PY 0.00013 0.00306 0.00000 0.00007 -0.00036 86 10PZ -0.00004 -0.00005 0.00004 -0.00003 -0.00027 87 11XX -0.00012 -0.00262 -0.00001 -0.00002 0.00001 88 11YY -0.00011 -0.00206 -0.00001 -0.00006 0.00001 89 11ZZ -0.00015 0.00364 0.00001 -0.00001 0.00000 90 11XY -0.00005 0.00695 0.00002 0.00004 -0.00001 91 11XZ 0.00000 -0.00021 0.00000 -0.00002 -0.00001 92 11YZ 0.00000 0.00019 0.00000 0.00002 0.00000 93 12XX -0.00068 -0.00086 -0.00017 -0.00001 0.00023 94 12YY -0.00072 -0.00177 -0.00011 0.00021 0.00013 95 12ZZ -0.00083 -0.00132 -0.00004 0.00010 0.00018 96 12XY 0.00000 -0.00003 0.00005 0.00004 0.00004 97 12XZ 0.00000 -0.00003 -0.00001 0.00004 0.00006 98 12YZ -0.00001 0.00005 0.00000 -0.00007 -0.00007 99 5 Cl 1S -0.00001 0.00024 0.00000 0.00000 0.00000 100 2S -0.00003 -0.00096 0.00001 0.00003 0.00001 101 2PX -0.00005 0.00038 -0.00002 0.00000 -0.00002 102 2PY -0.00002 0.00112 -0.00001 -0.00001 0.00000 103 2PZ 0.00000 -0.00008 0.00000 0.00001 -0.00001 104 3S -0.00016 0.00107 0.00006 0.00006 0.00005 105 3PX 0.00024 -0.00059 0.00010 -0.00004 0.00009 106 3PY 0.00011 -0.00154 0.00006 0.00001 -0.00002 107 3PZ 0.00000 0.00011 0.00002 -0.00005 0.00006 108 4S 0.00046 -0.00539 -0.00066 -0.00063 -0.00038 109 4PX -0.00043 0.00213 -0.00016 0.00040 -0.00027 110 4PY -0.00029 0.00486 -0.00010 0.00009 0.00018 111 4PZ -0.00002 -0.00038 -0.00004 -0.00001 -0.00028 112 5XX -0.00007 0.00000 0.00002 0.00003 0.00004 113 5YY -0.00007 0.00122 0.00003 0.00007 0.00002 114 5ZZ -0.00010 -0.00005 0.00000 0.00003 0.00002 115 5XY -0.00001 0.00029 0.00001 -0.00004 0.00001 116 5XZ 0.00000 -0.00002 0.00000 0.00001 0.00001 117 5YZ 0.00000 -0.00010 0.00000 0.00003 0.00003 118 6 Cl 1S 0.00010 0.00000 0.00000 0.00000 0.00000 119 2S -0.00020 0.00000 0.00000 0.00000 -0.00007 120 2PX 0.00016 0.00002 0.00002 -0.00004 0.00000 121 2PY 0.00002 -0.00008 -0.00008 -0.00001 0.00000 122 2PZ -0.00029 0.00001 0.00001 0.00000 -0.00005 123 3S 0.00120 -0.00004 -0.00001 0.00001 -0.00028 124 3PX 0.00017 -0.00005 -0.00006 0.00019 0.00000 125 3PY 0.00007 0.00028 0.00027 0.00004 0.00001 126 3PZ 0.00043 -0.00004 -0.00002 0.00000 0.00022 127 4S -0.00402 0.00006 0.00005 -0.00008 0.00168 128 4PX 0.00081 0.00028 0.00034 -0.00082 -0.00005 129 4PY -0.00005 -0.00150 -0.00144 -0.00018 0.00001 130 4PZ -0.00351 0.00019 0.00010 -0.00003 0.00013 131 5XX 0.00028 0.00008 -0.00009 0.00000 -0.00008 132 5YY 0.00026 -0.00013 0.00006 0.00001 -0.00008 133 5ZZ -0.00018 0.00003 0.00002 0.00000 0.00004 134 5XY 0.00001 -0.00021 0.00022 0.00000 0.00000 135 5XZ 0.00008 0.00007 0.00005 0.00000 0.00000 136 5YZ -0.00001 -0.00027 -0.00027 0.00000 0.00001 137 7 Cl 1S -0.00013 0.00000 -0.00023 0.00000 0.00000 138 2S 0.00056 -0.00002 0.00095 -0.00004 0.00001 139 2PX 0.00009 -0.00002 0.00041 0.00000 0.00002 140 2PY 0.00064 -0.00001 0.00108 -0.00001 0.00000 141 2PZ -0.00002 0.00000 -0.00001 -0.00001 -0.00001 142 3S -0.00061 -0.00007 -0.00100 -0.00007 0.00005 143 3PX -0.00017 0.00009 -0.00060 -0.00004 -0.00010 144 3PY -0.00079 0.00007 -0.00149 0.00001 0.00003 145 3PZ 0.00004 -0.00002 0.00001 0.00004 0.00006 146 4S 0.00247 0.00070 0.00494 0.00066 -0.00040 147 4PX 0.00022 -0.00009 0.00217 0.00040 0.00030 148 4PY 0.00299 -0.00010 0.00459 0.00011 -0.00021 149 4PZ -0.00018 0.00004 0.00002 0.00004 -0.00024 150 5XX -0.00005 -0.00002 0.00001 -0.00003 0.00004 151 5YY -0.00037 -0.00002 -0.00116 -0.00008 0.00002 152 5ZZ 0.00006 0.00000 0.00007 -0.00004 0.00002 153 5XY -0.00029 -0.00001 -0.00032 0.00003 0.00001 154 5XZ 0.00000 0.00000 0.00001 0.00001 -0.00001 155 5YZ -0.00001 0.00000 0.00003 0.00003 -0.00002 156 8 Cl 1S -0.00013 0.00000 0.00023 0.00000 0.00000 157 2S 0.00055 0.00002 -0.00095 -0.00003 0.00002 158 2PX 0.00035 0.00002 -0.00083 0.00000 0.00002 159 2PY -0.00054 -0.00001 0.00080 0.00001 0.00001 160 2PZ 0.00004 0.00000 -0.00010 -0.00001 -0.00001 161 3S -0.00063 0.00006 0.00100 -0.00007 0.00006 162 3PX -0.00049 -0.00011 0.00118 -0.00004 -0.00008 163 3PY 0.00064 0.00002 -0.00109 -0.00002 -0.00006 164 3PZ -0.00004 0.00001 0.00014 0.00005 0.00006 165 4S 0.00258 -0.00063 -0.00496 0.00065 -0.00043 166 4PX 0.00148 0.00019 -0.00392 0.00040 0.00018 167 4PY -0.00262 -0.00004 0.00322 0.00008 0.00029 168 4PZ 0.00012 -0.00003 -0.00045 0.00004 -0.00027 169 5XX -0.00031 0.00003 0.00041 -0.00002 0.00004 170 5YY -0.00012 0.00001 0.00073 -0.00009 0.00002 171 5ZZ 0.00005 0.00000 -0.00006 -0.00004 0.00002 172 5XY 0.00032 -0.00001 -0.00072 0.00000 0.00000 173 5XZ -0.00005 0.00000 0.00007 0.00002 -0.00002 174 5YZ 0.00004 0.00000 -0.00009 -0.00002 0.00002 51 52 53 54 55 O O O O O Eigenvalues -- -2.71338 -2.71310 -2.71186 -2.66593 -2.66399 1 1 Al 1S 0.00000 0.00000 -0.00002 -0.00022 0.00000 2 2S -0.00001 0.00001 0.00022 0.00128 0.00002 3 2PX 0.00014 -0.00016 -0.00215 0.00760 0.00005 4 2PY -0.00059 0.00068 -0.00037 -0.00831 -0.00023 5 2PZ 0.00002 -0.00003 0.00227 0.00031 -0.00184 6 3S -0.00005 0.00006 0.00131 0.00360 0.00007 7 3PX 0.00011 -0.00021 -0.00122 0.00174 0.00003 8 3PY -0.00037 0.00078 -0.00022 -0.00185 -0.00005 9 3PZ 0.00003 -0.00005 0.00119 0.00008 -0.00075 10 4S 0.00048 -0.00040 0.00065 0.00265 0.00002 11 4PX 0.00062 -0.00031 0.00035 -0.00134 -0.00005 12 4PY -0.00269 0.00153 -0.00002 0.00001 -0.00001 13 4PZ 0.00018 -0.00011 0.00002 0.00000 -0.00152 14 5XX 0.00003 0.00009 0.00017 -0.00074 -0.00004 15 5YY -0.00002 -0.00011 -0.00029 -0.00081 0.00003 16 5ZZ 0.00003 -0.00003 0.00000 -0.00066 -0.00006 17 5XY -0.00004 -0.00024 0.00010 0.00018 0.00000 18 5XZ 0.00008 -0.00006 -0.00039 -0.00002 -0.00020 19 5YZ -0.00031 0.00033 -0.00008 -0.00001 0.00043 20 2 Al 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 21 2S 0.00000 0.00000 0.00023 0.00005 0.00000 22 2PX -0.00017 -0.00014 0.00212 0.00002 0.00000 23 2PY 0.00075 0.00062 0.00061 -0.00001 0.00000 24 2PZ -0.00004 -0.00004 0.00244 0.00000 -0.00001 25 3S 0.00002 -0.00002 0.00140 0.00025 -0.00004 26 3PX -0.00010 -0.00015 0.00116 -0.00006 -0.00001 27 3PY 0.00046 0.00067 0.00033 0.00004 0.00001 28 3PZ -0.00002 -0.00004 0.00122 0.00000 0.00009 29 4S -0.00012 0.00012 0.00036 -0.00155 -0.00001 30 4PX -0.00065 -0.00011 -0.00043 -0.00076 -0.00001 31 4PY 0.00263 0.00078 -0.00006 -0.00020 0.00000 32 4PZ -0.00014 -0.00004 -0.00001 -0.00004 0.00016 33 5XX 0.00001 -0.00010 0.00011 -0.00004 0.00001 34 5YY 0.00003 0.00013 -0.00029 0.00000 0.00001 35 5ZZ -0.00003 -0.00003 0.00000 0.00001 0.00002 36 5XY -0.00001 0.00024 0.00013 0.00000 0.00001 37 5XZ -0.00008 -0.00007 0.00037 -0.00001 0.00005 38 5YZ 0.00036 0.00027 0.00010 -0.00001 -0.00001 39 3 Br 1S 0.00000 0.00000 0.00023 0.00000 0.00000 40 2S 0.00000 0.00000 -0.00144 -0.00001 0.00000 41 3S -0.00001 0.00000 0.00160 0.00005 -0.00003 42 4S 0.00000 -0.00001 0.00246 -0.00001 0.00000 43 5S 0.00009 -0.00008 0.00231 0.00032 -0.00052 44 6S -0.00025 0.00024 -0.00901 -0.00073 0.00128 45 7PX 0.00002 0.00015 -0.00001 0.00000 0.00000 46 7PY -0.00007 -0.00065 0.00002 0.00000 -0.00001 47 7PZ 0.00000 0.00004 0.00043 0.00000 0.00000 48 8PX -0.00005 -0.00038 0.00002 -0.00001 0.00001 49 8PY 0.00017 0.00170 -0.00005 -0.00001 0.00002 50 8PZ -0.00001 -0.00009 -0.00112 -0.00001 0.00001 51 9PX 0.00003 0.00006 0.00002 0.00008 -0.00008 52 9PY -0.00005 -0.00036 -0.00001 0.00007 -0.00009 53 9PZ 0.00000 0.00002 -0.00014 0.00003 -0.00006 54 10PX -0.00007 0.00034 -0.00012 -0.00055 0.00049 55 10PY -0.00007 -0.00119 0.00014 -0.00014 0.00020 56 10PZ 0.00002 0.00004 0.00288 0.00012 0.00003 57 11XX -0.36674 0.04424 -0.40484 -0.00003 0.00001 58 11YY 0.37665 0.04344 0.91953 -0.00006 0.00002 59 11ZZ -0.00990 -0.08768 -0.51679 -0.00002 0.00004 60 11XY 0.89091 -0.11399 -0.36372 0.00002 -0.00002 61 11XZ -0.07182 -0.21197 0.02387 -0.00005 0.00000 62 11YZ 0.08904 0.96202 -0.08451 0.00000 0.00000 63 12XX -0.00801 0.00094 -0.00709 -0.00005 -0.00003 64 12YY 0.00832 0.00091 0.02226 0.00006 -0.00018 65 12ZZ -0.00017 -0.00197 -0.00993 0.00003 -0.00020 66 12XY 0.01955 -0.00251 -0.00806 0.00003 0.00001 67 12XZ -0.00157 -0.00466 0.00054 0.00012 -0.00008 68 12YZ 0.00195 0.02113 -0.00189 -0.00006 0.00000 69 4 Br 1S 0.00000 0.00000 0.00000 0.00030 0.00000 70 2S 0.00002 -0.00001 0.00001 -0.00185 -0.00001 71 3S -0.00008 0.00005 -0.00004 0.00208 0.00001 72 4S 0.00005 -0.00004 0.00002 0.00314 0.00002 73 5S 0.00155 -0.00113 0.00035 0.00142 -0.00002 74 6S -0.00449 0.00320 -0.00107 -0.00833 0.00001 75 7PX 0.00000 0.00000 0.00000 0.00065 0.00003 76 7PY 0.00000 0.00000 0.00000 -0.00071 0.00004 77 7PZ -0.00001 0.00000 0.00000 0.00002 0.00073 78 8PX 0.00000 -0.00001 0.00000 -0.00173 -0.00007 79 8PY 0.00001 0.00000 -0.00001 0.00188 -0.00010 80 8PZ 0.00002 -0.00001 0.00000 -0.00004 -0.00193 81 9PX -0.00006 0.00008 -0.00001 0.00035 0.00002 82 9PY -0.00001 0.00000 0.00006 -0.00051 0.00002 83 9PZ -0.00007 0.00003 0.00001 0.00001 0.00045 84 10PX 0.00059 -0.00054 0.00006 0.00261 0.00004 85 10PY -0.00023 0.00019 -0.00013 -0.00247 0.00003 86 10PZ 0.00007 -0.00001 -0.00007 0.00007 0.00106 87 11XX 0.00006 -0.00004 0.00003 -0.20448 -0.03886 88 11YY 0.00005 -0.00003 0.00001 -0.30790 0.06876 89 11ZZ 0.00004 -0.00002 0.00004 0.50965 -0.02992 90 11XY -0.00003 0.00002 0.00002 0.85161 -0.01200 91 11XZ -0.00002 0.00001 -0.00001 -0.01961 -0.67729 92 11YZ 0.00001 0.00000 0.00001 0.02191 0.72615 93 12XX 0.00066 -0.00041 0.00021 -0.00336 -0.00087 94 12YY 0.00079 -0.00060 0.00023 -0.00577 0.00153 95 12ZZ 0.00076 -0.00059 0.00022 0.01357 -0.00067 96 12XY 0.00007 -0.00007 0.00000 0.02024 -0.00025 97 12XZ 0.00003 -0.00003 0.00003 -0.00048 -0.01516 98 12YZ -0.00004 0.00004 -0.00005 0.00053 0.01626 99 5 Cl 1S -0.00001 0.00000 0.00000 0.00000 0.00000 100 2S -0.00007 0.00005 0.00001 0.00004 0.00000 101 2PX 0.00000 0.00000 -0.00001 0.00002 0.00000 102 2PY 0.00002 -0.00001 0.00000 -0.00001 0.00000 103 2PZ -0.00002 0.00001 0.00000 0.00000 0.00003 104 3S -0.00026 0.00017 0.00005 0.00009 0.00001 105 3PX 0.00000 0.00000 0.00003 -0.00010 -0.00001 106 3PY -0.00008 0.00004 -0.00003 0.00001 -0.00001 107 3PZ 0.00010 -0.00005 0.00000 0.00000 -0.00018 108 4S 0.00174 -0.00119 -0.00027 -0.00073 -0.00008 109 4PX -0.00027 0.00026 -0.00005 0.00019 0.00002 110 4PY -0.00014 0.00016 0.00007 0.00017 0.00005 111 4PZ -0.00011 0.00004 -0.00008 -0.00002 0.00058 112 5XX -0.00010 0.00006 0.00002 0.00009 0.00001 113 5YY -0.00010 0.00009 0.00004 0.00004 0.00000 114 5ZZ -0.00010 0.00008 0.00002 0.00006 0.00001 115 5XY 0.00003 -0.00004 0.00000 0.00005 0.00000 116 5XZ -0.00001 0.00001 0.00000 0.00000 0.00000 117 5YZ -0.00002 0.00002 0.00002 0.00000 -0.00003 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 -0.00002 0.00003 0.00003 120 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 121 2PY 0.00000 -0.00002 0.00000 -0.00001 -0.00002 122 2PZ 0.00000 0.00000 0.00004 0.00001 0.00002 123 3S 0.00001 -0.00001 -0.00008 0.00005 0.00009 124 3PX 0.00001 -0.00004 0.00001 0.00001 0.00000 125 3PY 0.00001 0.00014 -0.00001 0.00007 0.00010 126 3PZ 0.00000 -0.00001 -0.00020 -0.00005 -0.00009 127 4S -0.00007 0.00006 0.00028 -0.00057 -0.00074 128 4PX -0.00006 0.00020 -0.00004 -0.00045 -0.00038 129 4PY -0.00002 -0.00064 0.00002 -0.00015 -0.00026 130 4PZ -0.00001 0.00005 0.00028 -0.00007 0.00011 131 5XX -0.00002 0.00000 -0.00005 0.00000 0.00001 132 5YY 0.00003 -0.00001 -0.00007 0.00004 0.00005 133 5ZZ 0.00000 0.00000 -0.00011 0.00003 0.00006 134 5XY 0.00005 -0.00001 0.00001 0.00001 0.00000 135 5XZ -0.00001 0.00001 0.00000 -0.00003 -0.00003 136 5YZ 0.00000 -0.00005 0.00000 0.00002 0.00000 137 7 Cl 1S -0.00001 0.00000 0.00000 0.00000 0.00000 138 2S -0.00008 -0.00003 0.00001 -0.00001 0.00000 139 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 140 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 141 2PZ -0.00002 -0.00001 0.00000 0.00000 0.00000 142 3S -0.00029 -0.00011 0.00004 -0.00003 0.00000 143 3PX 0.00000 -0.00001 -0.00003 -0.00002 0.00000 144 3PY 0.00008 0.00002 0.00003 0.00000 0.00000 145 3PZ 0.00009 0.00003 0.00000 0.00000 -0.00001 146 4S 0.00194 0.00077 -0.00025 0.00018 0.00000 147 4PX 0.00033 0.00020 0.00005 0.00013 -0.00001 148 4PY 0.00019 0.00013 -0.00006 0.00005 0.00000 149 4PZ -0.00010 -0.00001 -0.00007 0.00001 -0.00001 150 5XX -0.00011 -0.00004 0.00002 -0.00001 0.00000 151 5YY -0.00011 -0.00006 0.00004 -0.00001 0.00000 152 5ZZ -0.00012 -0.00006 0.00002 -0.00001 0.00000 153 5XY 0.00004 0.00003 0.00000 0.00001 0.00000 154 5XZ 0.00001 0.00001 -0.00001 0.00000 0.00000 155 5YZ 0.00003 0.00002 -0.00002 0.00000 0.00000 156 8 Cl 1S 0.00001 0.00000 0.00000 0.00000 0.00000 157 2S 0.00008 0.00003 0.00002 0.00000 0.00000 158 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 159 2PY -0.00001 0.00000 0.00001 0.00000 0.00000 160 2PZ 0.00002 0.00001 0.00000 0.00000 0.00000 161 3S 0.00028 0.00011 0.00005 -0.00002 0.00000 162 3PX -0.00003 0.00000 -0.00001 -0.00001 0.00000 163 3PY 0.00006 0.00002 -0.00004 -0.00001 0.00000 164 3PZ -0.00010 -0.00003 0.00000 0.00000 0.00001 165 4S -0.00190 -0.00080 -0.00030 0.00014 0.00000 166 4PX -0.00036 -0.00026 0.00002 0.00009 0.00000 167 4PY 0.00004 0.00003 0.00008 0.00002 0.00000 168 4PZ 0.00008 0.00000 -0.00008 0.00001 -0.00003 169 5XX 0.00009 0.00003 0.00003 0.00000 0.00000 170 5YY 0.00014 0.00008 0.00004 -0.00001 0.00000 171 5ZZ 0.00012 0.00006 0.00002 0.00000 0.00000 172 5XY 0.00002 0.00001 -0.00001 0.00000 0.00000 173 5XZ -0.00003 -0.00002 -0.00001 0.00000 0.00000 174 5YZ 0.00002 0.00001 0.00001 0.00000 0.00000 56 57 58 59 60 O O O O O Eigenvalues -- -2.66378 -2.65849 -2.65849 -0.89355 -0.84081 1 1 Al 1S 0.00001 0.00001 0.00000 0.00881 -0.00617 2 2S 0.00017 0.00002 0.00000 -0.04181 0.02996 3 2PX 0.00142 -0.00010 -0.00003 0.02229 -0.00510 4 2PY 0.00114 0.00013 0.00006 0.00415 0.00805 5 2PZ -0.00011 0.00001 0.00000 0.01609 0.01892 6 3S 0.00118 0.00022 0.00006 0.07838 -0.05549 7 3PX 0.00055 -0.00009 -0.00001 -0.04353 0.01134 8 3PY 0.00076 -0.00001 -0.00001 -0.00697 -0.01540 9 3PZ -0.00007 0.00007 -0.00012 -0.02842 -0.03345 10 4S -0.00412 -0.00143 -0.00046 -0.01230 -0.01961 11 4PX 0.00333 0.00064 0.00021 0.01019 0.00709 12 4PY 0.00225 0.00038 0.00009 0.00035 0.00659 13 4PZ -0.00022 0.00015 -0.00030 0.00934 -0.00342 14 5XX 0.00025 0.00006 0.00002 0.00714 0.00148 15 5YY -0.00035 0.00006 0.00002 -0.00909 -0.00235 16 5ZZ -0.00024 -0.00012 -0.00004 0.00405 0.00395 17 5XY 0.00004 0.00009 0.00003 0.00728 -0.00332 18 5XZ 0.00001 0.00002 -0.00005 0.01483 0.01660 19 5YZ 0.00002 0.00002 -0.00008 0.00435 0.00437 20 2 Al 1S 0.00000 -0.00001 0.00000 0.00945 -0.01226 21 2S -0.00011 -0.00004 -0.00001 -0.04471 0.05804 22 2PX -0.00002 0.00002 0.00001 -0.02211 -0.00952 23 2PY 0.00001 0.00000 0.00000 -0.00401 -0.00117 24 2PZ -0.00001 0.00000 0.00000 0.01588 0.01896 25 3S -0.00057 -0.00051 -0.00017 0.08489 -0.11792 26 3PX -0.00007 -0.00007 -0.00005 0.04226 0.01535 27 3PY -0.00003 -0.00002 -0.00002 0.00777 0.00183 28 3PZ 0.00001 0.00001 -0.00003 -0.02787 -0.03320 29 4S 0.00309 0.00180 0.00032 -0.01550 0.00438 30 4PX 0.00171 0.00120 0.00031 -0.00964 -0.00480 31 4PY 0.00008 -0.00020 -0.00013 -0.00087 -0.00298 32 4PZ 0.00005 0.00000 0.00021 0.00900 -0.00364 33 5XX -0.00001 0.00007 0.00002 0.00914 0.00448 34 5YY -0.00001 0.00008 0.00003 -0.00922 -0.01074 35 5ZZ -0.00013 0.00007 0.00001 0.00257 0.01296 36 5XY 0.00000 0.00004 0.00001 0.00401 0.00304 37 5XZ 0.00002 0.00001 0.00000 -0.01549 -0.01720 38 5YZ 0.00000 0.00000 0.00002 -0.00263 -0.00230 39 3 Br 1S 0.00000 0.00000 0.00000 -0.00887 0.03872 40 2S 0.00000 0.00002 -0.00002 0.05759 -0.25212 41 3S 0.00001 -0.00009 0.00009 -0.06682 0.29388 42 4S -0.00002 0.00004 -0.00004 -0.11791 0.51731 43 5S -0.00104 0.00047 -0.00035 0.09999 -0.46083 44 6S 0.00282 -0.00153 0.00117 0.05116 -0.18721 45 7PX -0.00001 0.00000 -0.00001 0.00006 0.00035 46 7PY 0.00000 0.00000 0.00000 -0.00019 0.00040 47 7PZ 0.00000 0.00000 0.00000 -0.00396 0.00770 48 8PX 0.00002 0.00000 0.00002 -0.00018 -0.00105 49 8PY 0.00000 0.00001 -0.00001 0.00057 -0.00123 50 8PZ -0.00001 0.00001 -0.00001 0.01205 -0.02354 51 9PX -0.00015 -0.00001 -0.00013 0.00035 0.00132 52 9PY 0.00001 -0.00006 0.00002 -0.00097 0.00213 53 9PZ 0.00009 -0.00006 0.00007 -0.02030 0.04228 54 10PX 0.00090 0.00020 0.00033 -0.00032 0.00372 55 10PY -0.00007 0.00018 0.00001 -0.00033 0.00128 56 10PZ -0.00056 0.00020 -0.00015 -0.00741 0.01238 57 11XX 0.00001 0.00006 -0.00007 0.03042 -0.13135 58 11YY 0.00000 0.00005 -0.00005 0.03235 -0.13795 59 11ZZ -0.00001 0.00006 -0.00006 0.02788 -0.12998 60 11XY 0.00002 0.00000 0.00001 -0.00055 0.00192 61 11XZ 0.00002 0.00000 0.00001 0.00004 0.00045 62 11YZ -0.00001 0.00001 0.00000 -0.00027 0.00055 63 12XX -0.00041 0.00039 -0.00030 0.01419 -0.06651 64 12YY -0.00046 0.00036 -0.00034 0.00953 -0.05289 65 12ZZ -0.00033 0.00033 -0.00032 0.01557 -0.07233 66 12XY -0.00010 -0.00001 0.00000 0.00132 -0.00391 67 12XZ -0.00015 -0.00003 -0.00001 0.00011 -0.00127 68 12YZ 0.00006 -0.00002 -0.00001 0.00043 -0.00156 69 4 Br 1S 0.00000 -0.00001 -0.00001 -0.00199 0.00244 70 2S -0.00002 0.00007 0.00003 0.01294 -0.01599 71 3S 0.00008 -0.00007 -0.00003 -0.01513 0.01882 72 4S -0.00004 -0.00013 -0.00005 -0.02609 0.03234 73 5S -0.00087 -0.00025 -0.00008 0.02099 -0.03155 74 6S 0.00259 0.00090 0.00029 0.01275 -0.00169 75 7PX -0.00053 -0.00001 0.00000 -0.00112 0.00085 76 7PY -0.00050 0.00001 0.00000 0.00084 -0.00083 77 7PZ 0.00004 0.00000 -0.00001 -0.00023 -0.00030 78 8PX 0.00138 0.00002 0.00001 0.00340 -0.00261 79 8PY 0.00130 -0.00003 -0.00001 -0.00258 0.00254 80 8PZ -0.00012 0.00000 0.00002 0.00070 0.00091 81 9PX -0.00011 0.00005 0.00002 -0.00556 0.00479 82 9PY -0.00024 0.00002 0.00000 0.00467 -0.00432 83 9PZ 0.00001 0.00002 -0.00004 -0.00099 -0.00171 84 10PX -0.00161 -0.00023 -0.00008 -0.00467 -0.00048 85 10PY -0.00076 0.00007 0.00003 0.00305 -0.00188 86 10PZ 0.00010 -0.00004 0.00008 -0.00119 0.00119 87 11XX 0.85964 -0.42479 -0.16874 0.00633 -0.00834 88 11YY -0.85671 -0.37940 -0.11882 0.00674 -0.00826 89 11ZZ -0.00308 0.80428 0.28761 0.00745 -0.00907 90 11XY -0.06977 -0.48065 -0.17123 0.00109 -0.00090 91 11XZ -0.02824 -0.25678 0.68214 -0.00025 -0.00030 92 11YZ 0.05717 -0.21655 0.64279 0.00016 0.00012 93 12XX 0.01885 -0.00918 -0.00363 0.00432 -0.00614 94 12YY -0.01975 -0.00823 -0.00258 0.00461 -0.00686 95 12ZZ -0.00058 0.01692 0.00605 0.00180 -0.00495 96 12XY -0.00162 -0.01026 -0.00366 -0.00302 0.00203 97 12XZ -0.00063 -0.00545 0.01449 0.00002 0.00007 98 12YZ 0.00129 -0.00461 0.01367 -0.00018 0.00030 99 5 Cl 1S 0.00001 0.00000 0.00000 0.00623 -0.01869 100 2S 0.00006 -0.00001 0.00000 -0.02841 0.08430 101 2PX -0.00002 0.00000 0.00000 0.00198 -0.00251 102 2PY -0.00001 -0.00001 -0.00001 0.00445 -0.00742 103 2PZ 0.00000 0.00000 0.00000 0.00028 0.00153 104 3S 0.00021 -0.00004 -0.00002 0.05406 -0.16794 105 3PX 0.00014 0.00000 0.00000 -0.00440 0.00595 106 3PY 0.00001 0.00007 0.00003 -0.01078 0.01742 107 3PZ -0.00001 0.00000 -0.00001 -0.00049 -0.00368 108 4S -0.00140 0.00014 0.00007 0.02531 -0.06306 109 4PX -0.00060 -0.00007 -0.00002 -0.00221 -0.00084 110 4PY 0.00037 -0.00015 -0.00006 -0.00260 0.00026 111 4PZ 0.00000 -0.00004 0.00009 -0.00059 0.00126 112 5XX 0.00014 -0.00001 -0.00001 -0.00096 0.00255 113 5YY 0.00005 -0.00003 -0.00002 0.00210 -0.00238 114 5ZZ 0.00012 -0.00001 0.00000 -0.00141 0.00285 115 5XY 0.00005 0.00000 0.00000 0.00157 -0.00185 116 5XZ 0.00000 0.00000 0.00000 0.00012 0.00045 117 5YZ 0.00000 0.00001 -0.00001 0.00001 0.00082 118 6 Cl 1S 0.00000 0.00000 0.00000 0.07973 0.02285 119 2S -0.00006 0.00001 0.00001 -0.36029 -0.10298 120 2PX 0.00001 0.00001 -0.00003 0.00107 -0.00155 121 2PY 0.00000 0.00000 0.00001 -0.00143 -0.00012 122 2PZ 0.00000 0.00001 -0.00001 -0.02760 -0.00007 123 3S -0.00019 0.00002 0.00007 0.71391 0.20857 124 3PX -0.00005 -0.00008 0.00013 -0.00254 0.00352 125 3PY -0.00001 -0.00001 -0.00006 0.00345 0.00028 126 3PZ -0.00003 -0.00003 0.00005 0.06661 0.00045 127 4S 0.00134 -0.00019 -0.00021 0.30068 0.09179 128 4PX 0.00069 0.00042 -0.00025 -0.00054 0.00310 129 4PY -0.00003 0.00011 0.00011 0.00086 0.00080 130 4PZ 0.00049 -0.00002 -0.00009 0.01566 0.00466 131 5XX -0.00007 0.00002 0.00003 0.00070 -0.00011 132 5YY -0.00010 0.00000 0.00003 -0.01471 -0.00304 133 5ZZ -0.00005 0.00000 0.00002 0.00234 -0.00207 134 5XY -0.00003 0.00000 0.00000 0.00425 0.00075 135 5XZ 0.00004 0.00001 0.00000 -0.00051 0.00085 136 5YZ -0.00002 0.00001 0.00000 0.00114 0.00022 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00633 -0.03254 138 2S 0.00002 0.00002 0.00001 -0.02887 0.14701 139 2PX 0.00000 -0.00002 0.00000 -0.00216 0.00426 140 2PY 0.00000 0.00000 0.00000 -0.00446 0.01329 141 2PZ 0.00000 0.00000 -0.00001 0.00060 0.00083 142 3S 0.00005 0.00011 0.00003 0.05492 -0.29149 143 3PX 0.00003 0.00009 0.00003 0.00490 -0.01002 144 3PY 0.00001 0.00000 0.00000 0.01084 -0.03127 145 3PZ 0.00000 0.00000 0.00003 -0.00127 -0.00206 146 4S -0.00042 -0.00058 -0.00016 0.02611 -0.11607 147 4PX -0.00023 -0.00035 -0.00010 0.00219 -0.00107 148 4PY -0.00010 -0.00011 -0.00002 0.00297 -0.00267 149 4PZ -0.00001 0.00001 -0.00007 -0.00075 0.00139 150 5XX 0.00002 0.00004 0.00001 -0.00088 0.00459 151 5YY 0.00003 0.00004 0.00001 0.00209 -0.00427 152 5ZZ 0.00001 0.00004 0.00001 -0.00143 0.00537 153 5XY -0.00001 -0.00002 0.00000 0.00171 -0.00351 154 5XZ 0.00000 0.00000 0.00000 -0.00025 -0.00027 155 5YZ 0.00000 0.00000 0.00000 -0.00031 -0.00024 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00631 -0.03228 157 2S 0.00000 0.00000 -0.00001 -0.02871 0.14575 158 2PX -0.00001 -0.00001 0.00000 -0.00384 0.00941 159 2PY 0.00000 0.00000 0.00000 0.00316 -0.01004 160 2PZ 0.00000 0.00000 0.00000 0.00018 0.00211 161 3S 0.00001 -0.00002 -0.00002 0.05477 -0.28937 162 3PX 0.00005 0.00005 0.00001 0.00900 -0.02211 163 3PY 0.00003 0.00002 0.00000 -0.00781 0.02360 164 3PZ 0.00000 0.00000 0.00001 -0.00024 -0.00507 165 4S -0.00008 0.00011 0.00014 0.02523 -0.11331 166 4PX -0.00023 -0.00018 -0.00002 0.00321 -0.00196 167 4PY -0.00007 -0.00006 -0.00003 -0.00178 0.00202 168 4PZ 0.00000 0.00001 -0.00004 -0.00051 0.00117 169 5XX 0.00000 -0.00001 -0.00001 0.00084 0.00061 170 5YY 0.00001 0.00000 -0.00001 0.00046 -0.00034 171 5ZZ 0.00000 -0.00001 -0.00001 -0.00141 0.00514 172 5XY 0.00000 0.00000 0.00000 -0.00243 0.00606 173 5XZ 0.00000 0.00000 0.00000 -0.00005 -0.00111 174 5YZ 0.00000 0.00000 0.00000 -0.00010 0.00092 61 62 63 64 65 O O O O O Eigenvalues -- -0.83361 -0.82746 -0.82523 -0.78253 -0.49964 1 1 Al 1S 0.01042 0.00468 -0.00014 -0.00942 0.02473 2 2S -0.04872 -0.02200 0.00066 0.04568 -0.11517 3 2PX -0.00429 -0.02073 0.00019 0.03025 0.01343 4 2PY -0.02680 -0.03515 0.00018 -0.03756 0.00082 5 2PZ -0.00428 0.01276 0.00000 0.00081 0.01619 6 3S 0.10370 0.04802 -0.00126 -0.08728 0.29934 7 3PX 0.00445 0.03925 -0.00027 -0.05372 -0.03596 8 3PY 0.05095 0.06702 -0.00064 0.06854 0.00105 9 3PZ 0.00674 -0.02295 0.00002 -0.00115 -0.04234 10 4S -0.02102 -0.02095 -0.00061 -0.01998 -0.01724 11 4PX 0.00775 -0.00027 -0.00172 -0.01368 0.01393 12 4PY -0.00925 -0.01043 0.00708 0.01906 0.00468 13 4PZ 0.00236 -0.00313 -0.00039 0.00013 0.00003 14 5XX -0.01024 -0.01611 0.00015 -0.00337 -0.01909 15 5YY 0.01602 0.02638 -0.00025 -0.00442 -0.01285 16 5ZZ -0.01231 -0.01711 0.00021 0.01508 0.00872 17 5XY 0.00895 0.00825 -0.00010 0.02668 0.00241 18 5XZ -0.00521 0.00780 0.00003 -0.00179 0.01382 19 5YZ -0.00342 -0.00151 -0.00001 0.00035 0.00436 20 2 Al 1S -0.00964 0.00318 0.00015 0.00072 -0.03236 21 2S 0.04471 -0.01496 -0.00071 -0.00301 0.15027 22 2PX -0.02673 0.02550 0.01355 -0.00322 0.02093 23 2PY -0.00721 0.00613 -0.05935 -0.00080 0.00350 24 2PZ -0.00862 0.01198 0.00330 -0.00055 -0.01608 25 3S -0.09898 0.03292 0.00155 0.00891 -0.39179 26 3PX 0.04880 -0.04895 -0.02560 0.00749 -0.05201 27 3PY 0.01308 -0.01183 0.11227 0.00181 -0.00859 28 3PZ 0.01597 -0.02134 -0.00626 0.00053 0.04220 29 4S 0.03882 -0.01748 -0.00031 -0.00524 0.01519 30 4PX 0.00404 0.00262 0.00398 -0.00352 0.01326 31 4PY 0.00460 0.00395 -0.01786 -0.00642 0.00278 32 4PZ 0.00178 -0.00402 0.00097 0.00052 -0.00016 33 5XX 0.00805 -0.00690 0.01359 0.00044 0.01149 34 5YY -0.02030 0.01695 -0.01370 -0.00189 0.01459 35 5ZZ 0.02006 -0.01547 -0.00002 0.00143 0.00065 36 5XY 0.00752 -0.00698 -0.03379 0.00114 0.00023 37 5XZ 0.00481 -0.00739 0.00252 -0.00018 0.01561 38 5YZ 0.00367 -0.00383 -0.00220 0.00018 0.00251 39 3 Br 1S -0.01590 0.02941 0.00005 -0.00393 -0.00162 40 2S 0.10347 -0.19134 -0.00030 0.02544 0.01062 41 3S -0.12050 0.22268 0.00036 -0.02936 -0.01242 42 4S -0.21263 0.39370 0.00061 -0.05296 -0.02257 43 5S 0.19196 -0.35732 -0.00076 0.04584 0.01959 44 6S 0.07240 -0.13278 0.00035 0.02801 0.01871 45 7PX 0.00169 -0.00003 -0.00017 -0.00124 0.03200 46 7PY 0.00051 0.00059 0.00063 0.00036 0.00774 47 7PZ -0.00284 0.00476 -0.00003 -0.00012 0.00709 48 8PX -0.00511 0.00009 0.00052 0.00377 -0.09823 49 8PY -0.00154 -0.00180 -0.00193 -0.00110 -0.02376 50 8PZ 0.00869 -0.01455 0.00009 0.00038 -0.02175 51 9PX 0.00752 -0.00032 -0.00093 -0.00638 0.17305 52 9PY 0.00234 0.00324 0.00352 0.00258 0.04191 53 9PZ -0.01591 0.02708 -0.00015 -0.00122 0.03851 54 10PX 0.01190 0.00064 0.00004 -0.00250 0.13047 55 10PY 0.00278 0.00023 -0.00035 -0.00372 0.03088 56 10PZ -0.00210 0.00136 -0.00006 0.00161 0.02587 57 11XX 0.05401 -0.09992 -0.00034 0.01349 0.00470 58 11YY 0.05634 -0.10397 0.00004 0.01328 0.00481 59 11ZZ 0.05332 -0.09847 -0.00020 0.01292 0.00731 60 11XY -0.00076 0.00085 0.00043 -0.00040 0.00065 61 11XZ 0.00167 0.00005 -0.00013 -0.00096 0.01183 62 11YZ 0.00034 0.00054 0.00035 0.00006 0.00288 63 12XX 0.02760 -0.05019 -0.00015 0.00480 0.00375 64 12YY 0.02261 -0.04242 -0.00015 0.00409 0.00249 65 12ZZ 0.02896 -0.05282 -0.00022 0.00454 -0.00314 66 12XY 0.00114 -0.00215 -0.00006 -0.00021 -0.00143 67 12XZ -0.00502 -0.00027 -0.00006 0.00219 -0.02868 68 12YZ -0.00052 -0.00045 0.00051 0.00105 -0.00681 69 4 Br 1S -0.00415 -0.00112 0.00013 0.05183 0.00580 70 2S 0.02702 0.00730 -0.00090 -0.33706 -0.03779 71 3S -0.03154 -0.00851 0.00116 0.39189 0.04390 72 4S -0.05505 -0.01489 0.00169 0.69369 0.08026 73 5S 0.04650 0.01053 -0.00417 -0.61322 -0.07050 74 6S 0.02391 0.01289 0.00749 -0.25868 -0.05873 75 7PX -0.00118 -0.00006 0.00004 0.00749 -0.01284 76 7PY 0.00149 0.00065 -0.00003 -0.00782 0.01201 77 7PZ 0.00005 -0.00022 0.00000 0.00025 -0.00162 78 8PX 0.00359 0.00017 -0.00011 -0.02284 0.03934 79 8PY -0.00454 -0.00199 0.00010 0.02386 -0.03681 80 8PZ -0.00016 0.00066 0.00000 -0.00076 0.00497 81 9PX -0.00603 -0.00040 0.00015 0.04046 -0.06859 82 9PY 0.00780 0.00331 -0.00024 -0.04219 0.06442 83 9PZ 0.00033 -0.00126 -0.00003 0.00140 -0.00883 84 10PX -0.00518 -0.00286 -0.00042 0.00016 -0.04560 85 10PY 0.00426 0.00291 0.00044 -0.00002 0.04027 86 10PZ -0.00053 0.00084 0.00007 -0.00040 -0.00456 87 11XX 0.01411 0.00414 -0.00052 -0.17541 -0.02133 88 11YY 0.01362 0.00325 -0.00053 -0.17448 -0.02086 89 11ZZ 0.01515 0.00416 -0.00058 -0.18214 -0.01724 90 11XY 0.00147 0.00040 -0.00003 -0.00863 0.00509 91 11XZ 0.00006 -0.00021 0.00000 0.00029 -0.00064 92 11YZ 0.00001 0.00013 0.00000 -0.00028 0.00050 93 12XX 0.00747 0.00129 -0.00156 -0.08097 -0.00096 94 12YY 0.00804 0.00181 -0.00156 -0.08241 -0.00132 95 12ZZ 0.00488 0.00036 -0.00134 -0.07043 -0.00858 96 12XY -0.00376 -0.00143 0.00006 0.01407 -0.01053 97 12XZ 0.00003 0.00018 -0.00002 -0.00045 0.00086 98 12YZ -0.00019 0.00010 0.00001 0.00036 -0.00059 99 5 Cl 1S 0.05363 0.05968 -0.00071 0.00893 -0.00937 100 2S -0.24241 -0.26964 0.00335 -0.03991 0.04205 101 2PX 0.00563 0.00500 -0.00006 0.00145 0.01847 102 2PY 0.01921 0.01913 -0.00026 -0.00074 0.05239 103 2PZ -0.00176 -0.00088 0.00002 -0.00005 0.00023 104 3S 0.48158 0.53729 -0.00604 0.08275 -0.09373 105 3PX -0.01292 -0.01163 0.00022 -0.00403 -0.04569 106 3PY -0.04498 -0.04468 0.00065 0.00222 -0.12988 107 3PZ 0.00416 0.00197 -0.00002 0.00014 -0.00061 108 4S 0.19404 0.21640 -0.00590 0.02480 -0.05907 109 4PX -0.00303 -0.00174 -0.00003 0.00647 -0.01651 110 4PY -0.00222 -0.00059 0.00012 0.00150 -0.04209 111 4PZ -0.00014 0.00127 -0.00011 -0.00055 0.00008 112 5XX -0.00775 -0.00854 0.00022 -0.00051 -0.00129 113 5YY 0.00524 0.00460 0.00005 -0.00095 0.01130 114 5ZZ -0.00849 -0.00918 0.00021 -0.00051 -0.00217 115 5XY 0.00467 0.00438 -0.00006 0.00060 0.00572 116 5XZ -0.00045 -0.00015 0.00001 -0.00005 0.00006 117 5YZ -0.00130 -0.00098 0.00001 0.00000 -0.00013 118 6 Cl 1S -0.00324 -0.00112 0.00002 0.00342 0.00274 119 2S 0.01487 0.00428 -0.00010 -0.01532 -0.01218 120 2PX -0.00523 -0.00024 0.00052 0.00398 -0.15906 121 2PY -0.00209 -0.00102 -0.00200 -0.00110 -0.03535 122 2PZ -0.00078 0.00195 0.00011 0.00050 0.01959 123 3S -0.02895 -0.01218 0.00013 0.03193 0.02797 124 3PX 0.01213 0.00052 -0.00127 -0.00969 0.40109 125 3PY 0.00492 0.00246 0.00486 0.00302 0.08915 126 3PZ 0.00182 -0.00481 -0.00027 -0.00092 -0.04913 127 4S -0.01790 0.00811 0.00033 0.01527 0.01730 128 4PX 0.00818 0.00052 0.00023 -0.00029 0.15983 129 4PY 0.00161 0.00010 -0.00096 -0.00361 0.03516 130 4PZ -0.00266 0.00603 0.00011 -0.00179 -0.01939 131 5XX -0.00043 0.00055 0.00027 -0.00067 -0.00135 132 5YY 0.00071 0.00003 -0.00025 -0.00015 0.00181 133 5ZZ 0.00090 -0.00159 -0.00005 -0.00007 -0.00270 134 5XY 0.00018 0.00056 -0.00068 0.00035 0.00111 135 5XZ 0.00269 0.00019 -0.00009 -0.00155 0.02971 136 5YZ 0.00083 0.00020 0.00043 0.00008 0.00653 137 7 Cl 1S -0.04088 0.02558 -0.05901 -0.00091 0.01159 138 2S 0.18482 -0.11571 0.26641 0.00427 -0.05195 139 2PX 0.00415 -0.00197 0.00669 -0.00006 0.02578 140 2PY 0.01494 -0.00841 0.01738 -0.00001 0.06384 141 2PZ -0.00050 0.00066 -0.00004 -0.00003 -0.00432 142 3S -0.36687 0.22987 -0.53220 -0.00800 0.11603 143 3PX -0.00950 0.00469 -0.01549 0.00004 -0.06393 144 3PY -0.03505 0.01972 -0.04042 0.00009 -0.15834 145 3PZ 0.00125 -0.00165 0.00011 0.00008 0.01072 146 4S -0.14937 0.09625 -0.20913 -0.00626 0.07073 147 4PX -0.00373 0.00130 -0.00016 0.00056 -0.02255 148 4PY -0.00310 0.00117 0.00210 -0.00013 -0.05245 149 4PZ -0.00091 0.00132 -0.00022 -0.00001 0.00314 150 5XX 0.00586 -0.00376 0.00766 0.00025 0.00092 151 5YY -0.00426 0.00206 -0.00331 0.00021 -0.01356 152 5ZZ 0.00667 -0.00414 0.00870 0.00025 0.00299 153 5XY -0.00376 0.00193 -0.00523 0.00005 -0.00790 154 5XZ 0.00015 -0.00020 0.00008 0.00001 0.00058 155 5YZ 0.00026 -0.00028 0.00006 0.00002 0.00106 156 8 Cl 1S -0.03945 0.02578 0.06002 -0.00122 0.01155 157 2S 0.17855 -0.11646 -0.27098 0.00528 -0.05177 158 2PX 0.00976 -0.00542 -0.01368 -0.00007 0.05011 159 2PY -0.01146 0.00686 0.01316 -0.00009 -0.04681 160 2PZ 0.00092 -0.00019 -0.00165 -0.00003 0.00178 161 3S -0.35356 0.23210 0.54129 -0.01180 0.11555 162 3PX -0.02279 0.01266 0.03176 -0.00001 -0.12429 163 3PY 0.02700 -0.01606 -0.03063 0.00016 0.11613 164 3PZ -0.00207 0.00034 0.00382 0.00007 -0.00440 165 4S -0.14812 0.09330 0.21268 -0.00057 0.07059 166 4PX -0.00483 0.00152 -0.00070 0.00176 -0.04230 167 4PY 0.00138 -0.00021 0.00192 -0.00025 0.03779 168 4PZ -0.00125 0.00130 0.00002 0.00007 -0.00185 169 5XX 0.00163 -0.00129 -0.00225 0.00002 -0.00690 170 5YY 0.00021 -0.00016 -0.00223 -0.00014 -0.00573 171 5ZZ 0.00654 -0.00403 -0.00876 -0.00006 0.00299 172 5XY 0.00668 -0.00385 -0.00835 -0.00002 0.01146 173 5XZ -0.00059 0.00018 0.00095 0.00002 -0.00050 174 5YZ 0.00076 -0.00039 -0.00097 0.00000 0.00061 66 67 68 69 70 O O O O O Eigenvalues -- -0.49466 -0.44289 -0.42666 -0.42189 -0.40134 1 1 Al 1S 0.02842 -0.00733 -0.01460 -0.00522 -0.00693 2 2S -0.13290 0.03371 0.06781 0.02508 0.02924 3 2PX 0.03895 0.00807 0.05501 0.02903 0.05544 4 2PY 0.00516 0.01042 0.04775 -0.05339 0.05495 5 2PZ 0.00366 0.07362 0.00724 0.00941 -0.01514 6 3S 0.34037 -0.09478 -0.18967 -0.06363 -0.10701 7 3PX -0.10081 -0.02047 -0.13876 -0.07433 -0.13583 8 3PY -0.00942 -0.02726 -0.12509 0.13784 -0.14165 9 3PZ -0.00988 -0.17739 -0.01593 -0.02285 0.03591 10 4S -0.01485 0.01261 -0.01073 -0.00660 0.03362 11 4PX 0.00218 -0.00541 0.00055 -0.01296 -0.01418 12 4PY 0.00274 -0.00220 -0.00432 0.03304 0.01196 13 4PZ 0.00197 -0.01112 0.00507 -0.00088 0.00737 14 5XX 0.01595 0.00584 0.03608 0.01163 0.01175 15 5YY -0.01384 -0.00510 -0.02711 -0.00654 -0.04107 16 5ZZ -0.02470 0.01140 0.01851 0.00297 0.04625 17 5XY 0.01226 0.00292 0.01003 -0.00546 -0.01228 18 5XZ 0.00492 0.03888 0.00818 0.00673 0.00023 19 5YZ 0.00041 0.00812 0.00796 -0.00903 0.00632 20 2 Al 1S 0.02025 0.00848 -0.01423 -0.00482 0.00526 21 2S -0.09475 -0.03884 0.06480 0.02184 -0.02113 22 2PX -0.03193 0.02078 -0.07940 -0.01072 0.06914 23 2PY -0.00749 0.00105 0.00337 -0.08581 -0.02334 24 2PZ -0.00282 -0.07648 -0.00233 0.00181 0.02382 25 3S 0.24099 0.11045 -0.19108 -0.06540 0.08646 26 3PX 0.08026 -0.05337 0.20265 0.02605 -0.17285 27 3PY 0.01881 -0.00335 -0.00958 0.22312 0.06259 28 3PZ 0.00700 0.18468 0.00711 -0.00494 -0.05714 29 4S -0.00161 -0.01032 -0.00145 -0.00089 -0.03720 30 4PX 0.00548 -0.00596 0.00748 -0.00489 -0.01192 31 4PY 0.00107 -0.00109 -0.00766 0.02470 -0.00992 32 4PZ 0.00206 0.01153 0.00747 0.00179 -0.00675 33 5XX 0.02252 -0.01118 0.03115 0.00928 0.01184 34 5YY -0.00807 0.00914 -0.02937 -0.01334 0.02002 35 5ZZ -0.02742 -0.01177 0.02564 0.01360 -0.04558 36 5XY 0.00858 -0.00327 0.01475 0.00418 -0.02068 37 5XZ 0.00160 0.03945 -0.00726 0.00048 -0.00026 38 5YZ -0.00081 0.00728 0.00512 -0.01002 -0.00694 39 3 Br 1S 0.01115 0.00002 0.00031 -0.00012 -0.00038 40 2S -0.07304 -0.00008 -0.00218 0.00073 0.00240 41 3S 0.08566 0.00003 0.00283 -0.00078 -0.00270 42 4S 0.15479 0.00027 0.00444 -0.00162 -0.00534 43 5S -0.13770 0.00040 0.02050 0.00979 0.00301 44 6S -0.11783 -0.00218 -0.06502 -0.02007 0.00959 45 7PX 0.00608 -0.06302 -0.00432 -0.01476 0.05145 46 7PY -0.00095 -0.01502 -0.01174 0.02712 0.01299 47 7PZ -0.04780 -0.00033 -0.01759 -0.00591 0.00395 48 8PX -0.01867 0.19387 0.01328 0.04544 -0.15846 49 8PY 0.00291 0.04620 0.03613 -0.08351 -0.04001 50 8PZ 0.14676 0.00100 0.05415 0.01818 -0.01216 51 9PX 0.03291 -0.35117 -0.02414 -0.08282 0.28979 52 9PY -0.00514 -0.08369 -0.06581 0.15251 0.07332 53 9PZ -0.26051 -0.00181 -0.09950 -0.03353 0.02227 54 10PX 0.02527 -0.24139 -0.01635 -0.05786 0.20319 55 10PY -0.00336 -0.05746 -0.04497 0.10564 0.05081 56 10PZ -0.17383 -0.00120 -0.05509 -0.01807 0.01524 57 11XX -0.03590 0.00028 0.00311 0.00176 0.00055 58 11YY -0.03166 -0.00024 -0.00058 0.00103 0.00173 59 11ZZ -0.04865 -0.00005 -0.00657 -0.00180 0.00134 60 11XY -0.00108 -0.00051 0.00120 0.00046 0.00191 61 11XZ 0.00218 -0.01290 -0.00063 -0.00279 0.00758 62 11YZ -0.00051 -0.00307 -0.00258 0.00551 0.00194 63 12XX -0.01930 -0.00034 -0.00363 -0.00074 0.00064 64 12YY -0.02275 0.00094 0.00863 0.00193 -0.00187 65 12ZZ 0.01494 0.00062 0.01828 0.00714 -0.00142 66 12XY 0.00053 0.00126 -0.00367 -0.00112 -0.00371 67 12XZ -0.00540 0.02871 0.00114 0.00659 -0.01649 68 12YZ 0.00117 0.00678 0.00586 -0.01406 -0.00437 69 4 Br 1S 0.00554 -0.00164 -0.00322 -0.00493 -0.00107 70 2S -0.03608 0.01072 0.02094 0.03185 0.00696 71 3S 0.04190 -0.01253 -0.02428 -0.03641 -0.00802 72 4S 0.07668 -0.02277 -0.04484 -0.06913 -0.01503 73 5S -0.07053 0.02109 0.03402 0.02995 0.00937 74 6S -0.04571 0.01544 0.05108 0.14811 0.02302 75 7PX -0.01377 0.00522 0.00799 0.02480 -0.00187 76 7PY 0.01192 -0.00732 -0.02071 -0.01830 -0.01513 77 7PZ -0.00047 -0.00935 -0.00053 0.00131 0.00374 78 8PX 0.04221 -0.01602 -0.02454 -0.07617 0.00576 79 8PY -0.03654 0.02247 0.06361 0.05621 0.04651 80 8PZ 0.00143 0.02871 0.00162 -0.00402 -0.01151 81 9PX -0.07423 0.02807 0.04350 0.13601 -0.01056 82 9PY 0.06370 -0.03979 -0.11334 -0.10071 -0.08314 83 9PZ -0.00235 -0.05115 -0.00264 0.00700 0.02064 84 10PX -0.04866 0.02059 0.02831 0.07860 -0.00700 85 10PY 0.04551 -0.02595 -0.07317 -0.05049 -0.05864 86 10PZ -0.00215 -0.03342 -0.00352 0.00569 0.01466 87 11XX -0.02109 0.00580 0.00927 0.01906 0.00118 88 11YY -0.01997 0.00678 0.01492 0.01664 0.00755 89 11ZZ -0.01564 0.00437 0.00854 0.01323 0.00205 90 11XY 0.00523 -0.00204 -0.00422 -0.00529 -0.00143 91 11XZ -0.00023 -0.00285 -0.00028 0.00042 0.00074 92 11YZ 0.00021 0.00229 0.00002 -0.00009 -0.00084 93 12XX -0.00027 0.00095 0.00274 -0.01508 0.00357 94 12YY -0.00125 -0.00022 -0.00734 -0.00967 -0.00908 95 12ZZ -0.01155 0.00381 0.00353 -0.00595 0.00232 96 12XY -0.01122 0.00389 0.00786 0.00705 0.00269 97 12XZ 0.00049 0.00553 0.00070 -0.00081 -0.00176 98 12YZ -0.00048 -0.00404 -0.00017 -0.00016 0.00181 99 5 Cl 1S -0.00924 0.00328 0.01057 -0.00273 0.00794 100 2S 0.04136 -0.01476 -0.04891 0.01330 -0.03688 101 2PX 0.02238 -0.00739 -0.02423 0.03892 -0.00965 102 2PY 0.05457 -0.03124 -0.13156 0.02205 -0.15403 103 2PZ -0.00357 0.03566 0.01160 0.00713 0.00080 104 3S -0.09269 0.03310 0.10394 -0.02528 0.07832 105 3PX -0.05592 0.01836 0.06045 -0.09802 0.02383 106 3PY -0.13550 0.07807 0.33007 -0.05498 0.38839 107 3PZ 0.00899 -0.08954 -0.02905 -0.01777 -0.00183 108 4S -0.05396 0.02433 0.10912 -0.04881 0.08322 109 4PX -0.01688 0.00775 0.02070 -0.03892 0.00433 110 4PY -0.04749 0.02786 0.11336 -0.01156 0.14794 111 4PZ 0.00267 -0.03673 -0.01095 -0.01108 0.00099 112 5XX -0.00055 0.00113 0.00388 0.00334 0.00546 113 5YY 0.01159 -0.00466 -0.02038 0.00193 -0.02105 114 5ZZ -0.00335 0.00071 0.00417 -0.00026 0.00619 115 5XY 0.00663 -0.00170 -0.00562 0.00632 -0.00329 116 5XZ -0.00044 0.00304 0.00061 0.00043 -0.00031 117 5YZ -0.00117 0.00727 0.00259 0.00120 0.00073 118 6 Cl 1S -0.01836 0.00039 -0.00255 -0.00061 -0.00033 119 2S 0.08115 -0.00193 0.01302 0.00329 0.00146 120 2PX -0.02068 -0.16680 -0.00741 0.04468 -0.07322 121 2PY -0.01475 -0.03583 0.04311 -0.16804 -0.02794 122 2PZ -0.15661 0.00527 -0.11710 -0.02553 -0.01641 123 3S -0.18943 0.00370 -0.02357 -0.00524 -0.00372 124 3PX 0.05224 0.42682 0.01895 -0.11433 0.18855 125 3PY 0.03715 0.09169 -0.11008 0.42979 0.07192 126 3PZ 0.39366 -0.01338 0.29977 0.06552 0.04222 127 4S -0.10422 0.00551 -0.04049 -0.01283 -0.00055 128 4PX 0.02192 0.16730 0.01015 -0.05470 0.08279 129 4PY 0.01475 0.03601 -0.05347 0.20717 0.03305 130 4PZ 0.16039 -0.00492 0.12569 0.02529 0.02069 131 5XX -0.00179 -0.00078 -0.00626 -0.00149 0.00065 132 5YY -0.00827 0.00054 -0.00317 0.00063 -0.00149 133 5ZZ 0.02434 -0.00057 0.01765 0.00342 0.00153 134 5XY 0.00209 0.00084 -0.00114 -0.00185 -0.00236 135 5XZ 0.00357 0.01812 0.00023 -0.00497 0.00802 136 5YZ 0.00319 0.00383 -0.00425 0.01759 0.00278 137 7 Cl 1S -0.00591 -0.00375 0.00644 0.00969 -0.00114 138 2S 0.02642 0.01696 -0.02953 -0.04545 0.00529 139 2PX -0.01610 -0.00617 -0.00542 0.05532 0.03679 140 2PY -0.03487 -0.03970 0.09010 0.11465 -0.03754 141 2PZ -0.00094 -0.03296 -0.00241 -0.00729 0.01703 142 3S -0.05943 -0.03770 0.06390 0.09407 -0.01121 143 3PX 0.04042 0.01523 0.01410 -0.13886 -0.09332 144 3PY 0.08665 0.09927 -0.22623 -0.28774 0.09469 145 3PZ 0.00246 0.08284 0.00628 0.01823 -0.04315 146 4S -0.03179 -0.02912 0.05757 0.11801 -0.00995 147 4PX 0.01130 0.00651 0.00753 -0.05216 -0.04200 148 4PY 0.03188 0.03549 -0.08246 -0.09254 0.04171 149 4PZ 0.00014 0.03393 0.00085 0.00904 -0.01957 150 5XX 0.00005 -0.00161 0.00515 -0.00073 -0.00395 151 5YY 0.00735 0.00679 -0.01535 -0.01588 0.00727 152 5ZZ -0.00259 -0.00178 0.00335 0.00349 -0.00200 153 5XY 0.00477 0.00188 -0.00054 -0.01029 -0.00493 154 5XZ 0.00016 0.00312 -0.00006 0.00076 -0.00086 155 5YZ 0.00019 0.00660 0.00048 0.00107 -0.00274 156 8 Cl 1S -0.00597 -0.00365 0.00997 -0.00394 -0.00715 157 2S 0.02666 0.01648 -0.04625 0.01884 0.03337 158 2PX -0.02958 -0.02061 0.07229 -0.06056 -0.07087 159 2PY 0.02451 0.02919 -0.10382 0.00819 0.11772 160 2PZ -0.00417 -0.03646 0.00784 -0.00022 0.00392 161 3S -0.06006 -0.03673 0.09769 -0.03752 -0.07014 162 3PX 0.07386 0.05134 -0.18095 0.15219 0.17825 163 3PY -0.06070 -0.07303 0.26073 -0.02020 -0.29706 164 3PZ 0.01047 0.09159 -0.01954 0.00073 -0.01008 165 4S -0.03184 -0.02772 0.10558 -0.05962 -0.07926 166 4PX 0.02400 0.01923 -0.06179 0.05437 0.06362 167 4PY -0.02389 -0.02536 0.08937 0.00407 -0.11361 168 4PZ 0.00315 0.03687 -0.00667 -0.00338 -0.00707 169 5XX 0.00455 0.00076 -0.00409 0.00952 0.00261 170 5YY 0.00275 0.00310 -0.01205 -0.00266 0.01201 171 5ZZ -0.00251 -0.00063 0.00406 -0.00051 -0.00558 172 5XY -0.00624 -0.00408 0.01379 -0.00486 -0.01278 173 5XZ 0.00107 0.00611 -0.00110 0.00026 -0.00054 174 5YZ -0.00090 -0.00531 0.00168 0.00006 -0.00030 71 72 73 74 75 O O O O O Eigenvalues -- -0.39450 -0.39310 -0.38313 -0.36523 -0.35342 1 1 Al 1S -0.00347 0.00464 0.00356 0.00271 0.00030 2 2S 0.01624 -0.02066 -0.01670 -0.01289 -0.00168 3 2PX 0.02098 -0.05033 -0.03145 -0.02287 0.00508 4 2PY -0.04213 0.03740 0.05751 0.04335 0.00319 5 2PZ 0.03972 0.03877 -0.00083 -0.00253 0.01893 6 3S -0.04397 0.06755 0.04673 0.03488 0.00273 7 3PX -0.05237 0.12524 0.07797 0.05574 -0.00924 8 3PY 0.10928 -0.09661 -0.14672 -0.10944 -0.00716 9 3PZ -0.09720 -0.09343 0.00189 0.00712 -0.04956 10 4S 0.00741 -0.01892 -0.00888 -0.00725 -0.02462 11 4PX -0.00581 0.01585 0.00959 -0.00491 -0.00053 12 4PY -0.00281 0.00100 0.01099 0.05319 0.00306 13 4PZ 0.01500 0.00973 -0.00503 0.00149 -0.02880 14 5XX -0.00712 0.00049 0.01373 0.02158 -0.01505 15 5YY 0.00170 0.00877 -0.01560 -0.01936 0.00548 16 5ZZ 0.00859 -0.02150 -0.00440 -0.00680 0.00851 17 5XY 0.01339 -0.00837 -0.03061 -0.05338 -0.01256 18 5XZ 0.03207 0.02848 0.00582 0.00260 -0.01106 19 5YZ -0.00134 0.01008 -0.03368 0.02283 -0.01250 20 2 Al 1S 0.00071 -0.00082 -0.00010 0.00009 0.00160 21 2S -0.00187 0.00314 -0.00020 -0.00090 -0.01027 22 2PX 0.00824 0.00674 -0.00934 -0.00791 -0.01331 23 2PY 0.06698 -0.06021 0.01358 0.02290 -0.00174 24 2PZ 0.04066 0.03488 -0.00152 -0.00259 0.02446 25 3S 0.01815 -0.01320 -0.00461 -0.00103 0.00727 26 3PX -0.01925 -0.01886 0.02317 0.01976 0.03211 27 3PY -0.17282 0.15595 -0.03433 -0.05782 0.00374 28 3PZ -0.09797 -0.08580 0.00329 0.00655 -0.06522 29 4S -0.01950 0.01278 0.01226 0.00967 0.05514 30 4PX -0.01494 0.00707 0.00511 -0.00590 0.09298 31 4PY 0.01738 -0.02028 0.00322 0.05060 0.01812 32 4PZ 0.00912 0.01455 -0.00040 0.00063 -0.04620 33 5XX -0.01034 0.01256 -0.00923 -0.02302 -0.04427 34 5YY 0.02002 -0.02030 0.00107 0.02273 0.04999 35 5ZZ -0.01543 0.00726 0.00906 0.00044 -0.00675 36 5XY 0.03233 -0.03863 0.01674 0.04805 -0.02481 37 5XZ -0.03028 -0.02643 0.00712 -0.01089 0.02681 38 5YZ -0.01275 -0.00026 -0.03603 0.02507 0.00829 39 3 Br 1S -0.00414 -0.00358 0.00010 0.00013 -0.00058 40 2S 0.02688 0.02322 -0.00067 -0.00086 0.00389 41 3S -0.03090 -0.02667 0.00081 0.00099 -0.00481 42 4S -0.05880 -0.05093 0.00137 0.00184 -0.00796 43 5S 0.04329 0.03170 -0.00575 -0.00225 0.00998 44 6S 0.07051 0.07619 0.01142 -0.00138 -0.00275 45 7PX 0.00966 -0.01833 0.00585 -0.02196 0.00267 46 7PY 0.00362 -0.00218 -0.05032 0.07351 0.00385 47 7PZ 0.05981 0.05756 0.00216 0.00069 -0.00234 48 8PX -0.02977 0.05646 -0.01800 0.06769 -0.00821 49 8PY -0.01118 0.00673 0.15499 -0.22657 -0.01187 50 8PZ -0.18426 -0.17733 -0.00665 -0.00213 0.00723 51 9PX 0.05457 -0.10332 0.03180 -0.12394 0.01471 52 9PY 0.02117 -0.01297 -0.28010 0.41357 0.02168 53 9PZ 0.33704 0.32476 0.01208 0.00415 -0.01450 54 10PX 0.03667 -0.07345 0.03358 -0.09753 0.01704 55 10PY 0.01093 -0.00546 -0.23435 0.33759 0.01877 56 10PZ 0.24933 0.23733 0.00792 0.00227 -0.00292 57 11XX 0.01514 0.01077 -0.00112 -0.00124 0.00371 58 11YY 0.00896 0.00914 -0.00022 0.00019 0.00136 59 11ZZ 0.01756 0.01605 0.00024 -0.00028 0.00155 60 11XY -0.00081 0.00303 0.00101 0.00042 0.00111 61 11XZ 0.00150 -0.00254 0.00043 -0.00185 -0.00022 62 11YZ 0.00076 -0.00038 -0.00505 0.00568 0.00022 63 12XX -0.00206 0.00121 0.00014 0.00177 0.00018 64 12YY 0.00653 0.00037 -0.00181 -0.00259 0.00378 65 12ZZ -0.01956 -0.02162 -0.00332 -0.00039 0.00285 66 12XY 0.00258 -0.00485 -0.00218 -0.00061 -0.00252 67 12XZ -0.00259 0.00575 -0.00259 0.00645 0.00005 68 12YZ -0.00205 0.00091 0.01665 -0.02291 -0.00110 69 4 Br 1S -0.00331 0.00423 0.00404 0.00257 0.00010 70 2S 0.02157 -0.02745 -0.02627 -0.01695 -0.00079 71 3S -0.02504 0.03173 0.03040 0.02010 0.00117 72 4S -0.04635 0.05918 0.05662 0.03577 0.00126 73 5S 0.02666 -0.03201 -0.03116 -0.02816 -0.00547 74 6S 0.07960 -0.10829 -0.10179 -0.03522 0.01242 75 7PX 0.02272 -0.02544 -0.03061 -0.02458 -0.00716 76 7PY -0.02085 0.03071 0.03409 0.03860 -0.00456 77 7PZ -0.00257 -0.00856 0.00767 -0.00787 -0.01125 78 8PX -0.06984 0.07820 0.09412 0.07561 0.02202 79 8PY 0.06409 -0.09441 -0.10483 -0.11876 0.01403 80 8PZ 0.00789 0.02631 -0.02354 0.02420 0.03465 81 9PX 0.12512 -0.14005 -0.16877 -0.13605 -0.03948 82 9PY -0.11517 0.16966 0.18879 0.21447 -0.02531 83 9PZ -0.01401 -0.04676 0.04088 -0.04267 -0.06306 84 10PX 0.08035 -0.08857 -0.11098 -0.09330 -0.03297 85 10PY -0.06986 0.10517 0.12114 0.14980 -0.02016 86 10PZ -0.01113 -0.03645 0.04086 -0.03881 -0.04561 87 11XX 0.01304 -0.01521 -0.01524 -0.00926 -0.00162 88 11YY 0.01239 -0.01698 -0.01601 -0.01232 0.00065 89 11ZZ 0.00833 -0.01051 -0.00964 -0.00558 -0.00069 90 11XY -0.00487 0.00614 0.00700 0.00641 0.00028 91 11XZ -0.00066 -0.00198 0.00185 -0.00149 -0.00120 92 11YZ 0.00069 0.00158 -0.00055 0.00074 0.00144 93 12XX -0.00690 0.00720 0.00816 -0.00193 0.00000 94 12YY -0.00449 0.00970 0.00827 0.00442 -0.00591 95 12ZZ 0.00087 -0.00001 -0.00100 -0.00658 -0.00166 96 12XY 0.00699 -0.00908 -0.01096 -0.01024 -0.00025 97 12XZ 0.00138 0.00436 -0.00558 0.00422 0.00290 98 12YZ -0.00181 -0.00327 0.00138 -0.00166 -0.00362 99 5 Cl 1S -0.00222 0.00056 0.00283 0.00156 -0.00004 100 2S 0.01058 -0.00283 -0.01352 -0.00745 0.00008 101 2PX 0.03480 -0.04861 -0.04937 -0.01607 0.04841 102 2PY 0.03772 0.00696 -0.06052 -0.08660 -0.00988 103 2PZ 0.02342 0.01929 0.04898 -0.03174 0.08990 104 3S -0.02135 0.00504 0.02715 0.01503 -0.00059 105 3PX -0.08817 0.12339 0.12519 0.04076 -0.12342 106 3PY -0.09518 -0.01770 0.15325 0.22037 0.02522 107 3PZ -0.05896 -0.04883 -0.12345 0.08031 -0.22942 108 4S -0.03159 0.01303 0.03884 0.01248 0.00226 109 4PX -0.03709 0.05510 0.05467 0.01509 -0.06592 110 4PY -0.03142 -0.01402 0.05426 0.09227 0.01234 111 4PZ -0.03236 -0.02298 -0.06715 0.04741 -0.11891 112 5XX 0.00090 -0.00343 -0.00018 0.00319 0.00208 113 5YY 0.00386 0.00303 -0.00543 -0.00845 -0.00153 114 5ZZ -0.00132 -0.00099 0.00125 0.00328 -0.00082 115 5XY 0.00545 -0.00648 -0.00711 -0.00392 0.00382 116 5XZ 0.00156 0.00167 0.00346 -0.00152 0.00166 117 5YZ 0.00346 0.00287 0.00575 -0.00262 0.00797 118 6 Cl 1S -0.00371 -0.00358 -0.00029 -0.00013 -0.00363 119 2S 0.01631 0.01532 0.00115 0.00033 0.01752 120 2PX -0.00505 0.01244 0.05422 0.01438 -0.03357 121 2PY -0.06629 0.06337 -0.16931 -0.03910 0.00604 122 2PZ -0.12867 -0.11344 0.01881 -0.00033 0.04538 123 3S -0.04081 -0.04015 -0.00329 -0.00198 -0.03412 124 3PX 0.01319 -0.03229 -0.13945 -0.03770 0.08687 125 3PY 0.17028 -0.16286 0.43442 0.10283 -0.01575 126 3PZ 0.33163 0.29240 -0.04847 0.00090 -0.11917 127 4S -0.01510 -0.00757 -0.00011 0.00469 -0.08765 128 4PX 0.00233 -0.00995 -0.07235 -0.01368 0.05610 129 4PY 0.08777 -0.08378 0.24154 0.04119 -0.00711 130 4PZ 0.15974 0.14434 -0.02443 0.00175 -0.07452 131 5XX 0.00181 0.00625 0.00206 0.00099 0.00576 132 5YY -0.00177 -0.00578 -0.00006 -0.00047 0.00505 133 5ZZ 0.00649 0.00460 -0.00221 -0.00076 -0.00620 134 5XY 0.00614 -0.00169 -0.00241 -0.00107 0.00163 135 5XZ 0.00063 -0.00125 -0.00322 -0.00097 0.00192 136 5YZ 0.00506 -0.00455 0.00885 0.00312 -0.00059 137 7 Cl 1S -0.00569 0.00498 -0.00083 -0.00120 -0.00028 138 2S 0.02660 -0.02325 0.00397 0.00565 0.00123 139 2PX -0.03025 0.03630 -0.00981 0.00349 -0.14385 140 2PY -0.11685 0.10321 -0.02089 -0.07418 0.01852 141 2PZ 0.01955 0.02171 -0.03961 0.03437 0.11026 142 3S -0.05576 0.04899 -0.00785 -0.01176 -0.00268 143 3PX 0.07609 -0.09158 0.02484 -0.00911 0.36795 144 3PY 0.29511 -0.26070 0.05290 0.18879 -0.04761 145 3PZ -0.04953 -0.05463 0.09961 -0.08683 -0.28159 146 4S -0.06454 0.05386 -0.01167 -0.00483 0.00508 147 4PX 0.02856 -0.03608 0.00971 -0.00897 0.18194 148 4PY 0.11069 -0.09863 0.02076 0.08127 -0.02781 149 4PZ -0.02273 -0.02928 0.05756 -0.05034 -0.14384 150 5XX -0.00271 0.00189 -0.00050 -0.00385 0.00539 151 5YY 0.01418 -0.01189 0.00221 0.00733 -0.00515 152 5ZZ -0.00418 0.00387 -0.00044 -0.00256 -0.00092 153 5XY 0.00614 -0.00674 0.00180 0.00166 0.01152 154 5XZ -0.00128 -0.00173 0.00297 -0.00204 -0.00270 155 5YZ -0.00316 -0.00317 0.00442 -0.00315 -0.00966 156 8 Cl 1S 0.00338 -0.00411 0.00133 0.00131 -0.00029 157 2S -0.01578 0.01926 -0.00628 -0.00612 0.00131 158 2PX 0.06582 -0.06976 0.01718 0.02314 -0.12283 159 2PY -0.03120 0.05683 -0.02874 -0.08443 -0.06538 160 2PZ 0.03643 0.00158 0.04226 -0.03453 0.09043 161 3S 0.03321 -0.04023 0.01286 0.01291 -0.00279 162 3PX -0.16642 0.17626 -0.04332 -0.05855 0.31411 163 3PY 0.07871 -0.14361 0.07289 0.21493 0.16746 164 3PZ -0.09189 -0.00405 -0.10633 0.08732 -0.23138 165 4S 0.03724 -0.04749 0.01649 0.00553 0.00473 166 4PX -0.06507 0.06761 -0.01599 -0.02016 0.15295 167 4PY 0.02385 -0.05070 0.02860 0.09743 0.08630 168 4PZ -0.04486 -0.00347 -0.05986 0.05148 -0.11476 169 5XX -0.00610 0.00543 -0.00015 0.00158 0.01113 170 5YY 0.00079 0.00255 -0.00221 -0.00606 -0.00946 171 5ZZ 0.00115 -0.00269 0.00053 0.00346 -0.00234 172 5XY 0.00662 -0.00882 0.00280 0.00664 -0.00345 173 5XZ -0.00495 -0.00021 -0.00482 0.00309 -0.00421 174 5YZ 0.00359 0.00029 0.00310 -0.00153 0.00720 76 77 78 79 80 O O O O O Eigenvalues -- -0.35176 -0.34559 -0.34374 -0.33910 -0.33362 1 1 Al 1S -0.00016 -0.00263 -0.00081 -0.00007 0.00017 2 2S 0.00042 0.01582 0.00488 0.00064 -0.00039 3 2PX 0.00130 -0.00779 0.00034 0.00070 -0.00337 4 2PY -0.00152 -0.01017 -0.00299 0.00051 0.00173 5 2PZ -0.01939 -0.00625 0.00645 0.01051 0.00252 6 3S -0.00308 -0.01751 -0.00562 0.00024 0.00442 7 3PX -0.00056 0.01969 -0.00022 -0.00128 0.00767 8 3PY 0.00450 0.02420 0.00749 -0.00203 -0.00321 9 3PZ 0.05184 0.01653 -0.01804 -0.02788 -0.00669 10 4S -0.02142 -0.07769 -0.02343 -0.00551 -0.00899 11 4PX 0.00596 0.12320 0.04487 0.01102 0.01459 12 4PY 0.00405 0.00743 -0.00232 0.00477 0.01905 13 4PZ 0.04086 0.01681 -0.03529 -0.03747 -0.01037 14 5XX -0.01291 0.03206 0.01016 0.00365 0.01258 15 5YY 0.00741 -0.04596 -0.02274 -0.00750 -0.01477 16 5ZZ 0.00479 0.01488 0.01294 0.00387 0.00164 17 5XY -0.00455 0.04987 0.01684 0.00176 -0.01290 18 5XZ 0.01749 0.00504 -0.02106 -0.02362 -0.00548 19 5YZ 0.01630 0.01831 -0.03575 -0.00315 0.00389 20 2 Al 1S 0.00103 0.00066 0.00008 -0.00002 0.00005 21 2S -0.00744 -0.00382 -0.00063 0.00014 -0.00025 22 2PX -0.00393 -0.00323 0.00143 0.00064 -0.00116 23 2PY -0.00275 0.00028 0.00018 -0.00014 0.00488 24 2PZ -0.01992 0.00474 -0.00801 -0.00066 0.00004 25 3S 0.00137 0.00439 -0.00005 -0.00006 0.00044 26 3PX 0.00943 0.01174 -0.00184 -0.00118 0.00407 27 3PY 0.00717 0.00057 -0.00022 0.00109 -0.01442 28 3PZ 0.05438 -0.01335 0.02225 0.00215 -0.00004 29 4S 0.05163 0.05422 0.01715 0.00237 0.00607 30 4PX 0.08223 0.05244 0.02083 0.00184 0.01338 31 4PY 0.01661 0.01704 0.01120 0.01471 -0.04053 32 4PZ 0.05735 -0.02083 0.03719 0.01496 0.00423 33 5XX -0.03278 -0.00592 0.00028 -0.00450 0.01544 34 5YY 0.04559 0.01887 0.01380 0.00432 -0.01442 35 5ZZ -0.01361 -0.01205 -0.01377 0.00022 -0.00083 36 5XY -0.02696 0.00263 -0.00462 0.01315 -0.03502 37 5XZ -0.03164 0.01643 -0.03471 -0.00456 0.00147 38 5YZ -0.02128 -0.00436 0.02627 -0.04550 -0.00634 39 3 Br 1S 0.00170 -0.00054 -0.00014 -0.00038 -0.00019 40 2S -0.01071 0.00332 0.00090 0.00245 0.00119 41 3S 0.01167 -0.00348 -0.00099 -0.00276 -0.00130 42 4S 0.02436 -0.00777 -0.00201 -0.00544 -0.00270 43 5S 0.01271 -0.00592 -0.00072 -0.00002 -0.00125 44 6S -0.13857 0.05204 0.01117 0.02201 0.01532 45 7PX 0.01513 0.00641 0.02749 0.00934 -0.00194 46 7PY -0.00350 0.00589 0.00829 0.03064 0.02725 47 7PZ 0.02647 -0.00921 -0.00239 -0.00468 -0.00323 48 8PX -0.04666 -0.01977 -0.08478 -0.02881 0.00599 49 8PY 0.01080 -0.01815 -0.02558 -0.09455 -0.08407 50 8PZ -0.08166 0.02842 0.00736 0.01443 0.00996 51 9PX 0.08516 0.03598 0.15561 0.05278 -0.01098 52 9PY -0.01981 0.03282 0.04684 0.17464 0.15420 53 9PZ 0.15053 -0.05208 -0.01348 -0.02679 -0.01837 54 10PX 0.07796 0.03703 0.14033 0.05173 -0.00691 55 10PY -0.01343 0.03094 0.04205 0.13973 0.13171 56 10PZ 0.13974 -0.05187 -0.01333 -0.02378 -0.01756 57 11XX -0.00739 0.00204 -0.00051 0.00221 0.00143 58 11YY -0.00726 0.00246 0.00175 0.00104 0.00010 59 11ZZ -0.00077 0.00002 0.00008 0.00044 0.00017 60 11XY -0.00089 -0.00044 0.00227 -0.00111 -0.00182 61 11XZ 0.00085 -0.00042 0.00196 0.00102 0.00017 62 11YZ 0.00006 -0.00006 0.00052 0.00155 0.00069 63 12XX 0.01922 -0.00757 0.00179 -0.00448 -0.00366 64 12YY 0.02068 -0.00814 -0.00494 -0.00157 -0.00075 65 12ZZ -0.00263 0.00073 0.00069 0.00120 0.00038 66 12XY 0.00198 0.00159 -0.00691 0.00391 0.00472 67 12XZ -0.00355 -0.00009 -0.00736 -0.00330 -0.00018 68 12YZ 0.00008 -0.00057 -0.00206 -0.00738 -0.00506 69 4 Br 1S 0.00003 -0.00069 -0.00027 -0.00007 0.00007 70 2S -0.00027 0.00488 0.00193 0.00048 -0.00038 71 3S 0.00046 -0.00654 -0.00263 -0.00056 0.00032 72 4S 0.00035 -0.00901 -0.00350 -0.00101 0.00101 73 5S -0.00276 0.01810 0.00748 0.00060 0.00187 74 6S 0.00703 -0.02858 -0.01285 0.00141 -0.00622 75 7PX -0.00379 0.03749 0.01425 0.00447 0.00713 76 7PY -0.00370 0.00217 -0.00107 0.00055 0.01460 77 7PZ 0.01375 0.00133 0.00136 -0.02022 -0.00938 78 8PX 0.01165 -0.11541 -0.04387 -0.01378 -0.02196 79 8PY 0.01138 -0.00675 0.00327 -0.00170 -0.04496 80 8PZ -0.04233 -0.00412 -0.00414 0.06226 0.02889 81 9PX -0.02080 0.21003 0.07984 0.02508 0.03952 82 9PY -0.02042 0.01318 -0.00564 0.00315 0.08174 83 9PZ 0.07721 0.00805 0.00577 -0.11265 -0.05211 84 10PX -0.01842 0.15323 0.05848 0.01865 0.03416 85 10PY -0.01693 0.00813 -0.00443 0.00247 0.06369 86 10PZ 0.05504 0.00202 0.01601 -0.08952 -0.04333 87 11XX -0.00084 0.00700 0.00259 0.00072 0.00130 88 11YY 0.00050 0.00037 0.00054 0.00002 -0.00187 89 11ZZ -0.00033 0.00167 0.00053 0.00000 0.00024 90 11XY -0.00001 -0.00332 -0.00134 -0.00030 0.00061 91 11XZ 0.00132 0.00010 0.00067 -0.00175 -0.00078 92 11YZ -0.00178 -0.00027 0.00030 0.00189 0.00079 93 12XX 0.00005 -0.00125 0.00027 -0.00119 -0.00296 94 12YY -0.00346 0.01484 0.00519 0.00064 0.00625 95 12ZZ -0.00080 0.00817 0.00387 0.00048 0.00087 96 12XY 0.00011 0.00423 0.00161 0.00050 -0.00106 97 12XZ -0.00320 0.00008 -0.00239 0.00511 0.00245 98 12YZ 0.00450 0.00048 -0.00049 -0.00525 -0.00233 99 5 Cl 1S -0.00011 -0.00001 0.00003 -0.00003 -0.00018 100 2S 0.00040 -0.00021 -0.00019 0.00017 0.00060 101 2PX 0.02867 -0.22340 -0.07942 -0.01974 -0.01056 102 2PY -0.01468 0.03938 0.02633 0.00725 -0.01870 103 2PZ -0.11015 -0.07726 0.17410 0.10597 0.01565 104 3S -0.00126 -0.00078 0.00022 -0.00014 -0.00246 105 3PX -0.07306 0.57219 0.20350 0.05065 0.02731 106 3PY 0.03750 -0.10087 -0.06743 -0.01866 0.04803 107 3PZ 0.28128 0.19728 -0.44451 -0.27168 -0.04037 108 4S 0.00130 -0.00103 -0.00059 -0.00299 -0.00386 109 4PX -0.03947 0.29026 0.10323 0.02560 0.01091 110 4PY 0.01979 -0.05450 -0.03631 -0.01027 0.02169 111 4PZ 0.14540 0.10576 -0.23999 -0.14014 -0.01902 112 5XX 0.00097 -0.00779 -0.00256 -0.00032 0.00068 113 5YY -0.00248 0.00609 0.00379 0.00121 -0.00127 114 5ZZ 0.00132 0.00173 -0.00113 -0.00062 0.00058 115 5XY 0.00198 -0.01579 -0.00515 -0.00128 -0.00105 116 5XZ -0.00238 -0.00019 0.00359 0.00098 -0.00004 117 5YZ -0.00924 -0.00615 0.01261 0.00741 0.00114 118 6 Cl 1S 0.00149 0.00102 0.00035 -0.00052 -0.00006 119 2S -0.00664 -0.00493 -0.00168 0.00238 0.00020 120 2PX -0.00814 -0.05171 0.02774 0.01062 0.00921 121 2PY -0.00963 -0.02985 0.00083 0.06263 -0.02919 122 2PZ -0.01907 -0.01148 -0.00273 0.00155 0.00154 123 3S 0.01546 0.00951 0.00339 -0.00520 -0.00076 124 3PX 0.02087 0.13414 -0.07228 -0.02767 -0.02400 125 3PY 0.02494 0.07748 -0.00225 -0.16338 0.07583 126 3PZ 0.05071 0.02996 0.00718 -0.00429 -0.00406 127 4S 0.01469 0.02776 0.00909 -0.00841 0.00183 128 4PX 0.01678 0.08736 -0.04184 -0.01954 -0.01276 129 4PY 0.01449 0.04581 -0.00137 -0.08492 0.04304 130 4PZ 0.01890 0.02335 0.00559 -0.00215 -0.00103 131 5XX -0.00249 -0.00076 -0.00199 0.00234 -0.00070 132 5YY 0.00075 -0.00288 0.00090 -0.00143 0.00067 133 5ZZ 0.00112 0.00230 0.00061 -0.00049 -0.00001 134 5XY -0.00219 -0.00154 0.00361 -0.00315 0.00252 135 5XZ -0.00018 0.00229 -0.00318 -0.00154 -0.00062 136 5YZ 0.00009 0.00121 -0.00047 -0.00171 0.00019 137 7 Cl 1S -0.00030 0.00004 0.00002 0.00004 -0.00021 138 2S 0.00136 -0.00002 -0.00003 -0.00028 0.00133 139 2PX -0.12084 -0.03080 -0.02030 0.04016 -0.17390 140 2PY 0.00973 -0.01136 -0.00646 -0.02659 0.07599 141 2PZ -0.13639 0.02829 0.00869 -0.19629 -0.04136 142 3S -0.00292 0.00080 0.00029 0.00016 -0.00147 143 3PX 0.30928 0.07942 0.05212 -0.10262 0.44542 144 3PY -0.02517 0.02891 0.01650 0.06790 -0.19446 145 3PZ 0.34843 -0.07265 -0.02092 0.50130 0.10588 146 4S 0.00315 0.00190 0.00222 0.00553 -0.01791 147 4PX 0.15234 0.03396 0.02481 -0.05691 0.24123 148 4PY -0.01630 0.01275 0.00665 0.03554 -0.10373 149 4PZ 0.17871 -0.03498 -0.02270 0.27602 0.05767 150 5XX 0.00437 0.00039 0.00044 -0.00234 0.00799 151 5YY -0.00358 0.00046 0.00023 0.00233 -0.00606 152 5ZZ -0.00129 -0.00091 -0.00078 -0.00063 0.00028 153 5XY 0.00941 0.00264 0.00153 -0.00204 0.00862 154 5XZ 0.00308 -0.00023 -0.00136 0.00396 0.00077 155 5YZ 0.01157 -0.00228 -0.00023 0.01313 0.00243 156 8 Cl 1S -0.00033 0.00007 -0.00003 -0.00002 0.00022 157 2S 0.00148 -0.00024 0.00012 0.00019 -0.00138 158 2PX -0.10246 -0.04197 -0.01024 -0.03506 0.12329 159 2PY -0.05896 -0.02279 -0.02112 -0.02683 0.14606 160 2PZ -0.09158 0.06008 -0.18583 0.11892 0.01731 161 3S -0.00312 0.00093 -0.00033 -0.00001 0.00162 162 3PX 0.26209 0.10774 0.02641 0.08968 -0.31578 163 3PY 0.15120 0.05867 0.05421 0.06870 -0.37389 164 3PZ 0.23455 -0.15359 0.47444 -0.30305 -0.04426 165 4S 0.00470 0.00038 0.00070 -0.00407 0.01799 166 4PX 0.12632 0.05107 0.01084 0.04886 -0.17264 167 4PY 0.07847 0.02838 0.02785 0.03561 -0.20134 168 4PZ 0.11421 -0.08042 0.25582 -0.17274 -0.02480 169 5XX 0.00852 0.00377 0.00061 0.00351 -0.01112 170 5YY -0.00889 -0.00260 -0.00242 -0.00183 0.00952 171 5ZZ -0.00022 -0.00123 0.00165 -0.00116 -0.00061 172 5XY -0.00239 -0.00115 0.00061 -0.00038 -0.00099 173 5XZ 0.00546 -0.00270 0.00955 -0.00587 -0.00152 174 5YZ -0.00604 0.00382 -0.01045 0.00588 0.00004 81 82 83 84 85 O O V V V Eigenvalues -- -0.32169 -0.31810 -0.05465 -0.04640 -0.02673 1 1 Al 1S -0.00014 -0.00021 0.04177 -0.03527 0.00507 2 2S 0.00106 0.00301 -0.19312 0.12909 -0.02254 3 2PX -0.00338 -0.00802 0.02130 -0.06210 0.01326 4 2PY -0.00257 -0.00825 0.00865 -0.01922 0.01218 5 2PZ -0.01872 0.00246 -0.02038 0.01588 0.14744 6 3S 0.00027 0.00693 0.61149 -0.69270 0.07758 7 3PX 0.00745 0.01748 -0.07881 0.23733 -0.04704 8 3PY 0.00684 0.02171 -0.02329 0.06354 -0.04118 9 3PZ 0.04812 -0.00627 0.06033 -0.04775 -0.50728 10 4S -0.01071 -0.04234 0.77962 -0.11946 0.07593 11 4PX 0.01098 0.05659 0.09472 0.09847 -0.03210 12 4PY 0.01594 0.06096 0.03581 0.00313 -0.03429 13 4PZ 0.05838 -0.01252 0.04405 0.02716 -0.54413 14 5XX 0.00739 0.03144 -0.02104 -0.00167 0.00369 15 5YY -0.01013 -0.03684 -0.04539 0.03245 -0.00025 16 5ZZ 0.00261 0.00473 0.05041 0.01819 -0.00333 17 5XY -0.00402 -0.01795 0.01140 -0.01598 -0.00017 18 5XZ 0.03601 -0.00474 0.00873 -0.00818 -0.03115 19 5YZ -0.03444 0.00717 0.00809 -0.00256 -0.00532 20 2 Al 1S 0.00006 0.00014 0.02388 0.04810 0.00452 21 2S -0.00046 -0.00075 -0.12192 -0.19479 -0.02066 22 2PX -0.00020 -0.00097 0.00119 -0.06937 -0.01894 23 2PY -0.00001 -0.00031 -0.00014 -0.01669 0.00294 24 2PZ -0.00434 0.00051 -0.01205 -0.02465 0.13185 25 3S -0.00036 0.00120 0.28893 0.84421 0.06645 26 3PX 0.00106 0.00508 -0.01007 0.25496 0.06532 27 3PY -0.00061 0.00028 -0.00141 0.06036 -0.01006 28 3PZ 0.01156 -0.00166 0.03560 0.07483 -0.45522 29 4S 0.00927 0.02381 0.65950 0.52579 0.08058 30 4PX 0.00417 0.01707 -0.13666 0.03763 0.05179 31 4PY 0.00292 0.00433 -0.03197 0.01487 -0.01753 32 4PZ -0.00634 0.00010 0.04446 -0.00312 -0.50273 33 5XX 0.00002 0.00511 -0.01898 0.00149 0.00116 34 5YY -0.00022 -0.00023 -0.02589 -0.04060 0.00124 35 5ZZ 0.00063 -0.00417 0.05277 0.00737 -0.00172 36 5XY -0.00047 -0.00499 0.00122 0.01044 0.00173 37 5XZ 0.00789 -0.00030 -0.00909 -0.01256 0.02566 38 5YZ 0.00251 -0.00086 0.00295 0.00027 0.00539 39 3 Br 1S 0.00074 -0.00050 0.01334 0.00312 -0.00878 40 2S -0.00472 0.00309 -0.08885 -0.02066 0.05616 41 3S 0.00530 -0.00327 0.10697 0.02467 -0.06281 42 4S 0.01052 -0.00719 0.19104 0.04484 -0.12944 43 5S -0.00170 -0.00476 -0.19007 -0.03435 -0.01967 44 6S -0.03632 0.04530 -0.29098 -0.09899 0.63685 45 7PX -0.01509 0.01161 -0.00954 0.04248 0.00180 46 7PY 0.01446 -0.02179 -0.00052 0.00961 0.00014 47 7PZ 0.00240 -0.00286 0.02870 0.00686 -0.00199 48 8PX 0.04657 -0.03583 0.02960 -0.13189 -0.00561 49 8PY -0.04467 0.06724 0.00160 -0.02982 -0.00044 50 8PZ -0.00743 0.00882 -0.08910 -0.02127 0.00605 51 9PX -0.08640 0.06580 -0.05511 0.24611 0.01105 52 9PY 0.08381 -0.12405 -0.00307 0.05502 0.00097 53 9PZ 0.01402 -0.01622 0.16446 0.03841 -0.00239 54 10PX -0.07515 0.06354 -0.08320 0.37229 0.01669 55 10PY 0.06015 -0.10472 -0.00305 0.08926 -0.00119 56 10PZ 0.01406 -0.02088 0.29248 0.07831 -0.11496 57 11XX -0.00407 0.00225 -0.06381 -0.01200 0.05480 58 11YY -0.00164 0.00136 -0.03409 -0.00917 0.01899 59 11ZZ -0.00135 0.00065 -0.04700 -0.01218 0.00948 60 11XY 0.00096 -0.00168 -0.00751 -0.00381 0.00958 61 11XZ -0.00112 0.00005 0.00882 -0.04551 0.00034 62 11YZ 0.00036 -0.00009 0.00085 -0.01014 -0.00033 63 12XX 0.00739 -0.00708 0.03087 0.00361 -0.14217 64 12YY 0.00101 -0.00473 -0.05302 -0.00371 -0.03629 65 12ZZ 0.00000 -0.00149 -0.03178 0.00048 0.00502 66 12XY -0.00382 0.00441 0.02115 0.01091 -0.02801 67 12XZ 0.00423 -0.00175 -0.02314 0.12279 -0.00179 68 12YZ -0.00263 0.00272 -0.00270 0.02655 0.00145 69 4 Br 1S 0.00000 -0.00009 0.00907 -0.00362 0.00097 70 2S -0.00009 0.00032 -0.05989 0.02513 -0.00658 71 3S 0.00027 0.00017 0.07110 -0.03228 0.00813 72 4S -0.00008 -0.00159 0.12972 -0.05055 0.01377 73 5S -0.00321 -0.00995 -0.09256 0.10454 -0.01946 74 6S 0.00966 0.03522 -0.30432 -0.08312 -0.00559 75 7PX 0.01333 0.06990 0.02418 -0.01626 0.00392 76 7PY 0.01802 0.06701 -0.02668 0.01241 -0.00032 77 7PZ 0.09915 -0.02006 -0.00221 0.00091 0.02494 78 8PX -0.04106 -0.21538 -0.07499 0.05046 -0.01215 79 8PY -0.05550 -0.20646 0.08269 -0.03856 0.00100 80 8PZ -0.30541 0.06180 0.00685 -0.00283 -0.07732 81 9PX 0.07452 0.39127 0.14097 -0.09654 0.02280 82 9PY 0.10041 0.37426 -0.15185 0.07663 -0.00196 83 9PZ 0.55208 -0.11194 -0.01272 0.00612 0.14204 84 10PX 0.06116 0.32023 0.20817 -0.11543 0.03345 85 10PY 0.08433 0.31386 -0.25048 0.06879 -0.00358 86 10PZ 0.46645 -0.09406 -0.01595 0.00063 0.22174 87 11XX 0.00141 0.00679 -0.03419 0.02124 -0.00565 88 11YY -0.00205 -0.00665 -0.03564 0.01552 -0.00166 89 11ZZ 0.00021 -0.00057 -0.02621 0.00801 -0.00380 90 11XY 0.00031 -0.00009 0.01205 -0.01055 0.00102 91 11XZ 0.00584 -0.00095 0.00118 -0.00080 -0.01428 92 11YZ -0.00662 0.00130 -0.00162 0.00077 0.01737 93 12XX -0.00711 -0.03026 0.00579 0.01456 0.00094 94 12YY 0.00454 0.01639 0.00742 0.02827 -0.01017 95 12ZZ -0.00269 -0.00393 -0.00793 0.05115 -0.00350 96 12XY -0.00080 0.00075 -0.02510 0.02748 -0.00188 97 12XZ -0.02012 0.00338 -0.00317 0.00291 0.03683 98 12YZ 0.02257 -0.00450 0.00495 -0.00249 -0.04803 99 5 Cl 1S -0.00010 -0.00058 -0.01352 0.00552 -0.00148 100 2S 0.00054 0.00310 0.06106 -0.02231 0.00622 101 2PX 0.01631 0.08591 -0.02052 0.02020 -0.00642 102 2PY -0.00602 -0.05253 -0.07968 0.04265 -0.01097 103 2PZ 0.05577 -0.00778 0.01338 -0.00639 -0.06073 104 3S -0.00093 -0.00515 -0.14593 0.06629 -0.01708 105 3PX -0.04173 -0.22007 0.05652 -0.05348 0.01724 106 3PY 0.01555 0.13486 0.21282 -0.11662 0.02933 107 3PZ -0.14141 0.01980 -0.03560 0.01790 0.16119 108 4S -0.00493 -0.02880 -0.26859 0.03698 -0.01972 109 4PX -0.02470 -0.12899 0.05126 -0.06284 0.01873 110 4PY 0.00697 0.07258 0.24910 -0.09316 0.03428 111 4PZ -0.09465 0.01306 -0.03832 0.00816 0.18446 112 5XX 0.00090 0.00412 -0.00311 0.00307 0.00052 113 5YY -0.00015 -0.00184 0.01864 -0.01186 0.00513 114 5ZZ -0.00018 0.00077 -0.00131 0.00858 -0.00519 115 5XY 0.00056 0.00221 0.00682 -0.01249 0.00337 116 5XZ 0.00158 -0.00044 -0.00130 0.00153 0.00690 117 5YZ 0.00205 -0.00017 -0.00557 0.00386 0.03400 118 6 Cl 1S 0.00154 0.00042 -0.01716 -0.00402 -0.02096 119 2S -0.00720 -0.00220 0.07339 0.01777 0.09624 120 2PX -0.03573 -0.01231 0.01668 -0.09103 0.00455 121 2PY 0.03503 0.02578 0.00716 -0.01904 0.00245 122 2PZ -0.01263 -0.00662 0.05967 0.01148 0.03490 123 3S 0.01534 0.00361 -0.19820 -0.04504 -0.22843 124 3PX 0.09350 0.03187 -0.04393 0.24102 -0.01280 125 3PY -0.09232 -0.06710 -0.01914 0.05009 -0.00639 126 3PZ 0.03368 0.01733 -0.15988 -0.03049 -0.09536 127 4S 0.03037 0.01753 -0.22926 -0.06975 -0.51070 128 4PX 0.05663 0.02402 -0.05693 0.31736 -0.00935 129 4PY -0.04096 -0.03860 -0.02470 0.06988 -0.01424 130 4PZ 0.01969 0.01471 -0.21109 -0.04873 -0.17113 131 5XX -0.00420 -0.00106 0.02326 0.00800 0.05359 132 5YY 0.00071 -0.00045 -0.01365 -0.00340 -0.01062 133 5ZZ 0.00179 0.00069 0.00210 -0.00068 -0.01178 134 5XY 0.00314 0.00247 0.01077 -0.00081 0.01733 135 5XZ 0.00157 -0.00073 0.01345 -0.06754 0.00277 136 5YZ 0.00005 0.00037 0.00385 -0.01460 0.00066 137 7 Cl 1S 0.00001 -0.00003 -0.01010 -0.01105 -0.00143 138 2S -0.00007 -0.00016 0.04682 0.04745 0.00607 139 2PX -0.00285 0.01794 0.01377 0.03104 0.00910 140 2PY 0.00156 -0.00122 0.05504 0.07081 0.00444 141 2PZ -0.00502 0.00616 0.00482 0.00599 -0.05660 142 3S 0.00009 -0.00106 -0.10615 -0.12561 -0.01639 143 3PX 0.00738 -0.04598 -0.03872 -0.08357 -0.02439 144 3PY -0.00401 0.00292 -0.14599 -0.19136 -0.01193 145 3PZ 0.01296 -0.01590 -0.01266 -0.01655 0.15026 146 4S 0.00036 0.00386 -0.23398 -0.15388 -0.02056 147 4PX 0.00350 -0.02630 -0.02952 -0.08710 -0.02665 148 4PY -0.00218 0.00397 -0.19004 -0.19250 -0.01539 149 4PZ 0.00681 -0.00821 -0.01376 -0.00920 0.17143 150 5XX 0.00007 -0.00053 -0.00108 -0.00233 0.00145 151 5YY -0.00011 -0.00020 0.01227 0.01735 -0.00094 152 5ZZ 0.00001 -0.00001 0.00183 -0.00877 0.00002 153 5XY 0.00015 -0.00054 0.00278 0.01560 0.00399 154 5XZ 0.00010 0.00000 0.00038 0.00105 -0.00816 155 5YZ 0.00031 -0.00026 0.00248 0.00362 -0.03114 156 8 Cl 1S 0.00000 0.00021 -0.01008 -0.01104 -0.00143 157 2S 0.00008 -0.00057 0.04658 0.04771 0.00602 158 2PX -0.00077 -0.02266 0.03561 0.05780 0.01151 159 2PY 0.00447 -0.01044 -0.04316 -0.05003 -0.00606 160 2PZ 0.04356 -0.01115 0.01018 0.01254 -0.05609 161 3S 0.00026 0.00308 -0.10627 -0.12471 -0.01654 162 3PX 0.00205 0.05857 -0.09646 -0.15579 -0.03084 163 3PY -0.01148 0.02683 0.11359 0.13530 0.01613 164 3PZ -0.11199 0.02871 -0.02684 -0.03423 0.14889 165 4S -0.00184 -0.00283 -0.22999 -0.16052 -0.01928 166 4PX 0.00028 0.02803 -0.10579 -0.16141 -0.03452 167 4PY -0.00634 0.01520 0.15651 0.13580 0.02042 168 4PZ -0.06030 0.01527 -0.03264 -0.02729 0.16971 169 5XX 0.00003 0.00122 0.00299 0.01161 0.00450 170 5YY 0.00035 -0.00032 0.00747 0.00290 0.00126 171 5ZZ -0.00020 -0.00023 0.00222 -0.00760 -0.00533 172 5XY -0.00016 -0.00060 -0.00738 -0.01821 -0.00421 173 5XZ -0.00092 0.00033 0.00220 0.00490 -0.02012 174 5YZ 0.00181 -0.00045 -0.00294 -0.00462 0.02445 86 87 88 89 90 V V V V V Eigenvalues -- 0.01620 0.02223 0.03107 0.03606 0.04837 1 1 Al 1S -0.00146 0.00204 0.00089 0.00468 -0.00002 2 2S -0.01619 -0.03968 0.00043 -0.02006 0.00044 3 2PX -0.15376 0.01270 0.04286 0.00710 0.03860 4 2PY -0.05519 0.00379 -0.07908 0.00899 -0.10341 5 2PZ 0.01714 -0.01667 -0.00016 0.13486 0.00385 6 3S -0.13969 -0.12151 0.03676 0.07415 0.00037 7 3PX 0.55212 -0.02784 -0.16011 -0.02979 -0.14563 8 3PY 0.20118 -0.00933 0.30032 -0.03192 0.38679 9 3PZ -0.05835 0.06265 -0.00064 -0.48819 -0.01479 10 4S 0.45295 0.30197 -0.04876 0.14300 0.01514 11 4PX 0.93069 -0.00613 -0.34537 -0.07953 -0.39686 12 4PY 0.37002 -0.00227 0.76177 -0.03498 1.23002 13 4PZ -0.03896 0.08853 -0.03115 -0.66251 -0.06555 14 5XX 0.00270 0.04172 0.04194 0.00682 0.03882 15 5YY -0.07573 0.02991 -0.03232 0.00052 -0.03089 16 5ZZ 0.09564 -0.04953 -0.01483 0.00320 -0.00637 17 5XY -0.00021 0.00349 -0.08704 -0.00318 -0.07260 18 5XZ -0.00244 -0.00220 0.00446 -0.06942 0.00131 19 5YZ 0.01246 -0.00603 0.00813 -0.01149 0.01369 20 2 Al 1S -0.00220 0.00259 -0.00031 -0.00424 -0.00159 21 2S 0.04333 0.00779 -0.00451 0.01963 -0.00101 22 2PX -0.01101 -0.15557 0.01925 0.00994 -0.02157 23 2PY -0.00659 -0.03501 -0.08917 -0.00707 0.10126 24 2PZ 0.00936 -0.01642 0.00588 -0.14936 -0.00542 25 3S 0.13341 0.14038 -0.03485 -0.05827 -0.06697 26 3PX 0.06015 0.56176 -0.07475 -0.04012 0.07872 27 3PY 0.02866 0.12637 0.33765 0.02485 -0.37645 28 3PZ -0.03599 0.05669 -0.02193 0.53898 0.02006 29 4S -0.41858 -0.42057 0.05851 -0.18612 0.07982 30 4PX 0.10627 1.07049 -0.19792 -0.07286 0.26358 31 4PY 0.06345 0.22975 0.82327 0.03543 -1.22744 32 4PZ -0.05879 0.04441 -0.04486 0.77176 0.07497 33 5XX -0.03574 0.01853 -0.03068 -0.00105 0.03681 34 5YY -0.01419 0.07219 0.04356 -0.00085 -0.02621 35 5ZZ 0.02740 -0.10956 -0.00775 -0.01336 -0.00203 36 5XY 0.00067 -0.01481 0.09472 -0.00278 -0.07207 37 5XZ -0.00842 0.01019 -0.00549 -0.06895 0.00888 38 5YZ 0.00150 -0.00958 0.00991 -0.01649 -0.01364 39 3 Br 1S -0.00723 0.00821 0.00126 0.00107 0.00084 40 2S 0.04812 -0.05442 -0.00843 -0.00693 -0.00549 41 3S -0.05770 0.06485 0.01015 0.00794 0.00639 42 4S -0.10490 0.11945 0.01834 0.01577 0.01234 43 5S 0.04612 -0.03619 -0.00857 -0.00084 0.00365 44 6S 0.40342 -0.50677 -0.07023 -0.07503 -0.07683 45 7PX -0.00259 -0.00667 0.00726 0.03315 -0.00004 46 7PY -0.00682 0.00041 -0.03388 0.00674 -0.00023 47 7PZ -0.02123 0.02498 0.00533 0.00144 0.00144 48 8PX 0.00825 0.02097 -0.02262 -0.10325 0.00010 49 8PY 0.02129 -0.00124 0.10543 -0.02097 0.00069 50 8PZ 0.06609 -0.07775 -0.01659 -0.00445 -0.00446 51 9PX -0.02528 -0.05069 0.04493 0.20085 0.00101 52 9PY -0.04421 0.00020 -0.20177 0.04018 -0.00060 53 9PZ -0.12695 0.14830 0.03141 0.00741 0.00710 54 10PX 0.03530 -0.00129 0.05964 0.36558 -0.00715 55 10PY -0.04599 0.01987 -0.32937 0.07941 -0.00587 56 10PZ -0.25010 0.30258 0.06276 0.02687 0.03177 57 11XX 0.01153 -0.00692 -0.00147 -0.00397 0.01644 58 11YY 0.02188 -0.02585 -0.00053 -0.00302 -0.02033 59 11ZZ 0.04476 -0.05500 -0.01179 -0.00366 -0.00469 60 11XY -0.00716 0.00458 0.00052 -0.00153 -0.04077 61 11XZ -0.01868 -0.01289 -0.00464 -0.01447 0.00526 62 11YZ 0.00204 -0.00521 0.03728 -0.00263 0.00091 63 12XX 0.04167 -0.06011 -0.00957 0.00693 -0.05854 64 12YY -0.00457 0.01717 -0.01053 0.00422 0.06310 65 12ZZ -0.06777 0.09993 0.02466 0.00514 0.01057 66 12XY 0.02727 -0.01945 -0.00272 0.00453 0.13198 67 12XZ 0.05894 0.04091 0.01586 0.03331 -0.01697 68 12YZ -0.00670 0.01601 -0.12206 0.00520 -0.00288 69 4 Br 1S 0.00643 0.00280 -0.00822 0.00068 -0.00968 70 2S -0.04180 -0.01868 0.05287 -0.00461 0.06231 71 3S 0.04819 0.02260 -0.05976 0.00564 -0.07047 72 4S 0.09374 0.03986 -0.12099 0.00982 -0.14285 73 5S -0.00587 -0.03693 -0.03839 -0.00939 -0.08442 74 6S -0.44971 -0.08279 0.72255 -0.01453 0.98871 75 7PX -0.01325 0.00543 -0.01618 0.00222 -0.01684 76 7PY -0.02853 -0.00074 0.00200 -0.00071 0.00440 77 7PZ 0.00301 -0.00250 0.00021 0.02095 0.00153 78 8PX 0.04113 -0.01683 0.05016 -0.00687 0.05213 79 8PY 0.08844 0.00228 -0.00604 0.00221 -0.01359 80 8PZ -0.00934 0.00774 -0.00067 -0.06505 -0.00480 81 9PX -0.07748 0.02829 -0.08790 0.01158 -0.08590 82 9PY -0.15766 -0.00143 0.00179 -0.00428 0.01925 83 9PZ 0.01731 -0.01367 0.00194 0.12061 0.01145 84 10PX -0.07986 0.07686 -0.24482 0.03142 -0.31522 85 10PY -0.35315 -0.03586 0.13569 -0.00623 0.15909 86 10PZ 0.02824 -0.02771 -0.00411 0.20861 -0.00139 87 11XX 0.00668 -0.01356 0.03684 -0.00382 0.04323 88 11YY -0.04802 -0.00791 0.02013 -0.00116 0.02057 89 11ZZ -0.02314 -0.00898 0.02265 -0.00272 0.03013 90 11XY 0.00087 -0.00153 -0.00189 0.00190 -0.00783 91 11XZ -0.00205 0.00170 -0.00037 -0.01469 -0.00125 92 11YZ 0.00274 -0.00251 0.00006 0.02276 0.00112 93 12XX -0.05429 0.00469 -0.08580 0.00187 -0.11153 94 12YY 0.09846 -0.01202 -0.03700 -0.00535 -0.04407 95 12ZZ 0.04079 -0.00507 -0.04914 0.00019 -0.08537 96 12XY 0.00341 0.01051 -0.00509 -0.00467 0.01205 97 12XZ 0.00622 -0.00430 0.00195 0.04029 0.00535 98 12YZ -0.00754 0.00742 -0.00026 -0.07074 -0.00400 99 5 Cl 1S -0.01356 -0.00392 -0.00953 -0.00136 -0.01321 100 2S 0.06405 0.01717 0.04635 0.00645 0.06654 101 2PX 0.04897 -0.00957 -0.04935 -0.00369 -0.03955 102 2PY -0.05478 -0.00515 -0.00983 -0.00953 -0.02174 103 2PZ 0.00049 0.00641 0.00396 -0.05106 0.00680 104 3S -0.14281 -0.04373 -0.09790 -0.01418 -0.13012 105 3PX -0.12946 0.02454 0.13293 0.00918 0.10305 106 3PY 0.14525 0.01189 0.02419 0.02544 0.05841 107 3PZ -0.00133 -0.01654 -0.01073 0.13722 -0.02007 108 4S -0.45138 -0.07786 -0.36029 -0.03600 -0.58372 109 4PX -0.15379 0.04262 0.17968 0.02297 0.20381 110 4PY 0.27644 0.04948 0.11560 0.04017 0.18140 111 4PZ -0.00951 -0.02851 -0.01594 0.17453 -0.01569 112 5XX -0.01414 0.00626 0.02194 0.00009 0.01893 113 5YY 0.02900 -0.00457 -0.00293 0.00807 0.00241 114 5ZZ 0.00829 0.00024 0.00111 -0.00596 0.00959 115 5XY -0.03416 0.00149 0.02447 0.00324 0.02764 116 5XZ 0.00344 -0.00075 -0.00262 0.00363 -0.00327 117 5YZ 0.00135 -0.00430 -0.00201 0.03974 -0.00173 118 6 Cl 1S 0.00825 -0.00943 -0.00149 0.00119 -0.00097 119 2S -0.03679 0.04296 0.00663 -0.00564 0.00477 120 2PX 0.00864 0.00591 -0.02107 0.10236 -0.00050 121 2PY 0.01144 0.00369 0.08405 0.02338 0.00053 122 2PZ -0.05372 0.06340 0.00396 0.00364 0.00369 123 3S 0.09223 -0.10364 -0.01683 0.01278 -0.00992 124 3PX -0.03171 -0.02413 0.05925 -0.28215 0.00214 125 3PY -0.03370 -0.01220 -0.23095 -0.06397 -0.00085 126 3PZ 0.15246 -0.18018 -0.01146 -0.01086 -0.01002 127 4S 0.25334 -0.31319 -0.04592 0.03733 -0.04476 128 4PX 0.05538 0.06915 0.05652 -0.41363 -0.00571 129 4PY -0.01019 0.00701 -0.27772 -0.09916 -0.00787 130 4PZ 0.17442 -0.20749 -0.01622 -0.00184 -0.02242 131 5XX 0.02954 -0.03617 -0.00484 -0.00679 -0.03078 132 5YY -0.00069 0.00255 0.00445 0.00068 0.02854 133 5ZZ -0.03550 0.04328 0.00162 0.00346 0.00390 134 5XY 0.01097 -0.01268 -0.00487 -0.00019 0.06383 135 5XZ -0.03159 -0.03045 -0.00659 0.03225 -0.00019 136 5YZ -0.00254 -0.00502 0.05260 0.00789 0.00184 137 7 Cl 1S 0.00637 0.01150 0.01051 0.00187 -0.01384 138 2S -0.02909 -0.05455 -0.05133 -0.00874 0.06941 139 2PX -0.00546 0.05521 -0.04280 -0.00503 0.03669 140 2PY -0.01473 -0.04933 -0.01410 -0.00567 0.02060 141 2PZ -0.00371 0.00630 -0.00416 0.06096 0.00605 142 3S 0.06868 0.12084 0.10767 0.01987 -0.13691 143 3PX 0.01391 -0.14544 0.11584 0.01300 -0.09598 144 3PY 0.03702 0.12992 0.03529 0.01486 -0.05419 145 3PZ 0.00945 -0.01661 0.01175 -0.16408 -0.01780 146 4S 0.16603 0.39671 0.40382 0.05145 -0.60166 147 4PX 0.03072 -0.18588 0.15810 0.02658 -0.19204 148 4PY 0.10144 0.25722 0.13813 0.03170 -0.18757 149 4PZ 0.01623 -0.02233 0.00766 -0.20584 -0.00725 150 5XX -0.00451 0.01994 -0.02011 -0.00026 0.01995 151 5YY -0.00112 -0.03039 -0.00100 -0.00152 0.00141 152 5ZZ -0.00128 -0.00989 -0.00215 -0.00104 0.01058 153 5XY 0.00271 0.03659 -0.01971 -0.00374 0.02214 154 5XZ -0.00083 0.00190 -0.00125 0.00756 0.00107 155 5YZ -0.00272 0.00462 -0.00243 0.04609 0.00320 156 8 Cl 1S 0.00515 0.01167 -0.01192 0.00160 0.01275 157 2S -0.02312 -0.05556 0.05760 -0.00748 -0.06456 158 2PX -0.00542 0.02835 0.04669 -0.00727 -0.04216 159 2PY 0.01254 0.06826 0.00538 0.00956 0.00419 160 2PZ -0.00490 -0.00023 0.00415 0.06021 -0.00700 161 3S 0.05622 0.12208 -0.12312 0.01702 0.12499 162 3PX 0.01299 -0.07473 -0.12456 0.01892 0.11096 163 3PY -0.03260 -0.17973 -0.01779 -0.02570 -0.01214 164 3PZ 0.01255 0.00058 -0.01115 -0.16201 0.02054 165 4S 0.12192 0.40752 -0.43911 0.04223 0.56707 166 4PX 0.04641 -0.05528 -0.21664 0.03739 0.24459 167 4PY -0.07069 -0.31343 0.06941 -0.03731 -0.07835 168 4PZ 0.02354 0.00931 -0.01988 -0.20279 0.01813 169 5XX 0.00161 0.03450 0.03050 -0.00330 -0.03140 170 5YY -0.00401 -0.04583 -0.00921 -0.00594 0.00946 171 5ZZ -0.00173 -0.00976 0.00297 0.00692 -0.00927 172 5XY -0.00312 -0.00067 -0.00157 0.00654 0.00971 173 5XZ -0.00126 0.00491 0.00293 0.02581 -0.00372 174 5YZ 0.00225 0.00096 0.00014 -0.03775 0.00024 91 92 93 94 95 V V V V V Eigenvalues -- 0.08015 0.10853 0.13332 0.14519 0.15079 1 1 Al 1S -0.03769 0.00418 -0.01323 0.00037 -0.00928 2 2S 0.02108 -0.01628 0.02618 -0.00375 0.00540 3 2PX 0.02432 0.00249 0.18608 -0.01206 -0.01811 4 2PY -0.00671 0.01288 -0.02287 0.03011 0.17543 5 2PZ 0.00719 0.14635 -0.00055 0.14460 -0.04091 6 3S -1.37608 0.06170 -0.40499 -0.00805 -0.32688 7 3PX -0.10327 -0.01444 -0.92957 0.07339 0.09839 8 3PY 0.01633 -0.06279 0.09742 -0.15499 -0.94426 9 3PZ -0.03076 -0.75830 -0.00114 -0.76476 0.22073 10 4S 1.59698 0.09532 0.01054 -0.11955 0.15468 11 4PX 0.08797 -0.13481 1.25132 -0.07222 -0.07584 12 4PY -0.12640 0.06847 -0.07388 0.19639 0.96483 13 4PZ 0.04123 1.13402 -0.03477 0.96529 -0.27565 14 5XX 0.07077 0.02164 0.02811 -0.03551 -0.07188 15 5YY 0.07677 0.01253 0.04721 0.01624 0.05287 16 5ZZ 0.05335 0.00794 0.00359 0.02460 0.01799 17 5XY -0.01340 0.01054 -0.04500 -0.00191 0.07447 18 5XZ -0.00464 0.08129 0.01441 -0.03611 0.01074 19 5YZ -0.00247 0.02307 0.00421 -0.00034 -0.01688 20 2 Al 1S -0.03690 -0.00665 0.02222 0.00844 0.00478 21 2S 0.02436 0.01737 -0.02138 -0.01745 -0.00977 22 2PX 0.00562 0.01286 0.13592 0.05413 0.04015 23 2PY -0.00486 -0.00451 0.00332 0.03452 0.14716 24 2PZ 0.01045 -0.14561 -0.02263 0.15483 -0.03825 25 3S -1.31679 -0.15104 0.76769 0.23826 0.14094 26 3PX -0.02247 -0.06598 -0.68312 -0.29437 -0.20856 27 3PY 0.02202 0.02345 -0.00606 -0.18635 -0.80768 28 3PZ -0.04860 0.75249 0.12113 -0.80818 0.20553 29 4S 1.53680 -0.00759 -0.35098 -0.09488 0.00197 30 4PX 0.13282 -0.04514 0.79133 0.40460 0.34624 31 4PY 0.07786 -0.07562 0.11673 0.18439 0.62629 32 4PZ 0.09949 -1.09964 -0.13525 0.95003 -0.21853 33 5XX 0.05270 -0.02997 -0.01410 -0.02794 0.00786 34 5YY 0.05992 -0.00588 -0.05543 -0.00741 -0.04184 35 5ZZ 0.04608 -0.00158 -0.00923 0.03012 0.02095 36 5XY 0.00286 -0.00159 0.02838 -0.01097 -0.06910 37 5XZ 0.00186 0.08200 0.00356 0.03687 -0.00403 38 5YZ 0.00065 0.01803 0.00847 0.00740 -0.01778 39 3 Br 1S 0.00307 0.00011 -0.00017 0.00179 -0.00116 40 2S -0.01823 -0.00049 0.00037 -0.01168 0.00848 41 3S 0.01742 0.00008 0.00105 0.01366 -0.01161 42 4S 0.04759 0.00195 -0.00329 0.02601 -0.01633 43 5S 0.23057 0.01931 -0.08669 0.06159 0.06447 44 6S -0.99898 -0.06730 0.33213 -0.55357 -0.09226 45 7PX -0.00122 0.00269 -0.00696 -0.00086 -0.00129 46 7PY -0.00092 0.00014 -0.00092 -0.00236 -0.00208 47 7PZ -0.01917 -0.00100 0.00682 -0.02550 0.00079 48 8PX 0.00379 -0.00824 0.02172 0.00267 0.00409 49 8PY 0.00291 -0.00038 0.00288 0.00739 0.00647 50 8PZ 0.06033 0.00315 -0.02141 0.07997 -0.00253 51 9PX -0.00605 0.01042 -0.04210 -0.00460 -0.01079 52 9PY -0.00792 -0.00135 -0.00662 -0.01573 -0.00910 53 9PZ -0.15107 -0.00841 0.04943 -0.17545 0.00747 54 10PX -0.01812 -0.06960 -0.08791 -0.01305 0.01185 55 10PY 0.01490 -0.01717 0.01081 -0.02485 -0.11322 56 10PZ 0.13312 0.00723 -0.01613 -0.12238 0.02531 57 11XX 0.00141 0.00280 -0.00680 0.01096 -0.00245 58 11YY -0.03832 -0.00253 0.01550 -0.04503 -0.00108 59 11ZZ 0.01521 -0.00018 -0.01082 0.01611 0.01985 60 11XY 0.01323 -0.00224 -0.00555 0.01442 -0.00077 61 11XZ 0.00295 -0.05554 0.01229 0.00378 0.00966 62 11YZ 0.00506 -0.01263 0.01002 0.00124 -0.03189 63 12XX 0.07070 -0.00090 -0.01322 -0.04483 0.05927 64 12YY 0.22531 0.01856 -0.09394 0.16148 0.04868 65 12ZZ 0.01794 0.00905 0.00598 -0.04511 -0.04201 66 12XY -0.04941 0.00752 0.02284 -0.05320 0.00116 67 12XZ -0.00845 0.19112 -0.03301 -0.01230 -0.03648 68 12YZ -0.01978 0.04361 -0.03950 -0.00055 0.13945 69 4 Br 1S 0.00344 0.00034 0.00022 0.00027 -0.00019 70 2S -0.02327 -0.00235 -0.00146 -0.00263 0.00087 71 3S 0.02870 0.00300 0.00191 0.00481 -0.00035 72 4S 0.04926 0.00488 0.00259 0.00306 -0.00284 73 5S 0.00248 -0.01362 0.01919 -0.05348 -0.02714 74 6S -0.35859 0.03242 -0.22833 0.15695 0.19475 75 7PX -0.00519 0.00250 -0.01516 0.00439 0.00811 76 7PY 0.01285 -0.00126 0.01249 -0.00108 -0.00923 77 7PZ -0.00080 -0.00753 0.00013 -0.00742 0.00154 78 8PX 0.01618 -0.00775 0.04719 -0.01375 -0.02525 79 8PY -0.04016 0.00391 -0.03891 0.00334 0.02878 80 8PZ 0.00250 0.02339 -0.00040 0.02326 -0.00481 81 9PX -0.03449 0.01333 -0.08739 0.03043 0.04799 82 9PY 0.08844 -0.00677 0.07498 -0.00545 -0.05591 83 9PZ -0.00542 -0.04096 0.00100 -0.05134 0.00988 84 10PX 0.02272 0.03125 -0.19442 0.01538 0.07278 85 10PY 0.00103 -0.01258 0.09391 -0.01812 -0.12679 86 10PZ -0.00395 -0.13682 0.00303 -0.08409 0.02556 87 11XX -0.01109 -0.00402 -0.00343 -0.00899 -0.02354 88 11YY 0.00121 -0.00158 0.02539 0.00015 0.00690 89 11ZZ -0.02915 0.00142 -0.02431 0.00160 0.01664 90 11XY -0.03181 0.00405 -0.04329 0.00661 0.02807 91 11XZ 0.00093 -0.00824 0.00109 -0.00823 0.00244 92 11YZ -0.00075 0.00249 -0.00205 0.01162 -0.00312 93 12XX 0.00082 0.00452 0.02304 0.00093 0.07601 94 12YY -0.03919 -0.00268 -0.08929 -0.03474 -0.04529 95 12ZZ 0.06057 -0.01230 0.07423 -0.03530 -0.06131 96 12XY 0.10738 -0.01165 0.13336 -0.01996 -0.08479 97 12XZ -0.00283 0.03681 -0.00340 0.03400 -0.01116 98 12YZ 0.00209 -0.01351 0.00720 -0.04750 0.01346 99 5 Cl 1S -0.00412 -0.00069 -0.00054 -0.00095 -0.00178 100 2S 0.01634 0.00330 -0.00060 0.00181 0.00101 101 2PX -0.00272 -0.00427 0.00904 -0.00810 0.00231 102 2PY 0.03277 -0.00186 0.01728 0.00640 0.05812 103 2PZ -0.00193 0.01690 -0.00196 0.01835 -0.01001 104 3S -0.05044 -0.00737 -0.01306 -0.01679 -0.03589 105 3PX 0.01088 0.01084 -0.02224 0.02560 -0.00108 106 3PY -0.09632 0.00427 -0.04820 -0.01834 -0.16325 107 3PZ 0.00567 -0.04396 0.00540 -0.05594 0.02961 108 4S -0.17040 -0.00787 -0.02295 0.00983 -0.12184 109 4PX -0.01229 0.02644 -0.10781 0.00128 -0.05234 110 4PY -0.00797 0.00999 -0.05387 -0.02678 -0.23472 111 4PZ -0.00165 -0.11509 0.00925 -0.05894 0.03004 112 5XX 0.02440 -0.00039 0.02824 0.00260 0.02804 113 5YY -0.04743 0.00544 -0.04514 -0.00547 -0.08316 114 5ZZ 0.02053 -0.00353 0.01023 -0.00151 0.03945 115 5XY -0.01663 0.00446 0.01616 -0.00145 -0.05027 116 5XZ 0.00127 0.00809 -0.00101 0.00322 0.00396 117 5YZ 0.00660 0.01029 0.00385 0.02337 0.00719 118 6 Cl 1S -0.00306 0.00014 -0.00075 0.00345 0.00022 119 2S 0.02687 -0.00076 -0.00100 -0.01217 0.00150 120 2PX 0.00649 0.02985 0.02072 -0.00115 0.00532 121 2PY -0.00203 0.00589 0.00525 0.00171 0.00163 122 2PZ -0.04740 -0.00096 0.00729 0.05154 -0.02773 123 3S -0.00171 0.00129 -0.01983 0.04679 0.00938 124 3PX -0.01808 -0.07559 -0.05373 0.00305 -0.01622 125 3PY 0.00624 -0.01384 -0.01497 -0.00406 -0.00124 126 3PZ 0.15032 0.00268 -0.02293 -0.15670 0.08401 127 4S -0.51925 -0.00377 0.11698 0.23891 -0.16136 128 4PX -0.02155 -0.07979 -0.13113 0.00939 -0.00429 129 4PY -0.00148 -0.02368 0.00082 -0.02244 -0.10581 130 4PZ -0.12598 0.00219 0.03248 -0.11253 0.02792 131 5XX -0.01083 -0.00692 -0.00085 0.05076 -0.00811 132 5YY 0.05173 0.00465 -0.01238 -0.03530 0.02262 133 5ZZ -0.01321 0.00156 0.00681 -0.01046 -0.01197 134 5XY -0.02013 0.00465 0.00683 0.02332 -0.00580 135 5XZ 0.00505 0.12118 0.04511 0.00594 0.01708 136 5YZ -0.00242 0.02689 0.02295 -0.00150 -0.04133 137 7 Cl 1S -0.00277 0.00043 0.00168 -0.00075 -0.00060 138 2S 0.01154 -0.00209 -0.00302 0.00419 0.00816 139 2PX 0.00124 -0.00316 0.00049 0.01242 0.01343 140 2PY -0.03521 -0.00656 0.03265 0.02013 0.04574 141 2PZ 0.00287 -0.01520 -0.00414 0.01441 -0.00176 142 3S -0.03231 0.00473 0.02925 -0.00711 0.00524 143 3PX -0.00519 0.00785 0.00299 -0.03485 -0.03340 144 3PY 0.10237 0.01738 -0.09172 -0.05538 -0.12623 145 3PZ -0.00781 0.03916 0.01262 -0.04409 0.00516 146 4S -0.15941 -0.01245 0.07799 0.04214 0.03392 147 4PX -0.00517 0.01736 -0.07016 -0.05508 -0.10126 148 4PY 0.02565 0.02426 -0.08973 -0.08555 -0.22424 149 4PZ -0.01283 0.10956 0.00840 -0.05419 0.01423 150 5XX 0.02070 0.00118 -0.03504 -0.01480 -0.02170 151 5YY -0.04373 -0.00712 0.06420 0.03223 0.06757 152 5ZZ 0.02172 0.00470 -0.01965 -0.01375 -0.03077 153 5XY -0.02257 -0.00642 0.00059 0.01403 0.04427 154 5XZ 0.00023 0.00858 0.00002 -0.00541 0.00149 155 5YZ 0.00051 0.01155 0.00118 -0.02736 0.00724 156 8 Cl 1S -0.00378 0.00047 0.00129 -0.00064 -0.00019 157 2S 0.01673 -0.00248 0.00125 0.00245 -0.00332 158 2PX -0.01105 -0.00518 0.01922 0.01661 -0.00299 159 2PY 0.03061 0.00342 -0.04049 -0.00536 0.02133 160 2PZ -0.00008 -0.01562 0.00133 0.01498 -0.00673 161 3S -0.04217 0.00454 0.03065 -0.00870 -0.01188 162 3PX 0.03192 0.01305 -0.04706 -0.04747 0.00308 163 3PY -0.08967 -0.00954 0.11624 0.01328 -0.06214 164 3PZ 0.00072 0.04018 -0.00313 -0.04531 0.02042 165 4S -0.20446 -0.00625 0.04350 0.05171 0.02510 166 4PX -0.01679 0.02608 -0.15562 -0.05738 0.05805 167 4PY -0.01517 -0.00444 0.09942 0.02230 -0.09607 168 4PZ -0.01179 0.11147 -0.00461 -0.05912 0.01893 169 5XX -0.00287 -0.00532 -0.00699 -0.00183 -0.03233 170 5YY -0.01735 -0.00256 0.04637 0.01715 0.01104 171 5ZZ 0.02161 0.00611 -0.02327 -0.01475 0.01141 172 5XY 0.04025 0.00964 -0.06063 -0.02227 0.02947 173 5XZ -0.00428 0.01155 0.00799 -0.01434 -0.00283 174 5YZ 0.00508 -0.00565 -0.01182 0.01913 -0.00215 96 97 98 99 100 V V V V V Eigenvalues -- 0.16186 0.18209 0.19941 0.23565 0.27311 1 1 Al 1S 0.00252 0.00530 0.01384 -0.00481 -0.00196 2 2S -0.01790 -0.00378 0.13046 -0.03909 -0.00114 3 2PX -0.11180 0.00484 0.00854 -0.06996 -0.01074 4 2PY -0.06044 -0.14751 0.02135 -0.00907 0.03084 5 2PZ -0.03234 0.00930 0.00216 -0.01703 -0.02665 6 3S 0.01579 0.17949 1.17040 -0.38754 -0.07318 7 3PX 0.63006 -0.00396 -0.20742 0.37397 0.04668 8 3PY 0.35193 0.80174 -0.15674 0.06750 -0.17923 9 3PZ 0.18134 -0.05005 -0.00713 0.08887 0.13428 10 4S -0.17723 -0.17550 -3.86741 1.00481 -0.08393 11 4PX -0.80490 0.12421 2.31409 -0.71794 0.01817 12 4PY -0.26130 -1.26511 0.54479 -0.12419 -0.15747 13 4PZ -0.24072 0.07119 -0.00383 -0.00615 0.07184 14 5XX -0.09379 0.02982 0.15582 0.38455 0.03182 15 5YY 0.00536 -0.02935 -0.15984 -0.02942 0.00285 16 5ZZ 0.07688 0.01621 -0.13386 -0.29828 -0.05804 17 5XY -0.04906 -0.05544 0.08573 0.10050 -0.07930 18 5XZ 0.01944 0.00595 0.00070 -0.01355 -0.17786 19 5YZ 0.01198 -0.00171 0.00108 -0.04144 0.51780 20 2 Al 1S 0.00506 -0.00032 -0.01442 0.00514 0.00022 21 2S -0.03389 -0.00666 -0.13000 0.01752 -0.00167 22 2PX 0.16262 -0.03374 0.02533 0.08949 0.00332 23 2PY -0.02763 0.19945 0.00099 0.02012 -0.01150 24 2PZ -0.02866 -0.01261 -0.00878 -0.01545 -0.00520 25 3S 0.03630 -0.04396 -1.18890 0.27202 -0.00262 26 3PX -0.92677 0.17678 -0.27907 -0.42724 -0.02329 27 3PY 0.14820 -1.11980 -0.03815 -0.09746 0.08498 28 3PZ 0.15802 0.07058 0.03799 0.08408 0.03379 29 4S 0.18225 0.09491 3.90376 -0.66577 0.05440 30 4PX 1.24858 -0.17467 2.32230 -0.32454 -0.02703 31 4PY -0.08332 1.48475 0.50734 -0.09098 0.20285 32 4PZ -0.18079 -0.08691 0.08404 -0.00329 -0.11109 33 5XX -0.11201 0.01849 -0.00717 0.39956 0.02943 34 5YY 0.02800 -0.02665 0.12765 -0.07378 -0.03005 35 5ZZ 0.08421 0.01131 0.00701 -0.32300 0.01019 36 5XY -0.00253 -0.09535 -0.03541 0.13337 -0.01467 37 5XZ -0.02996 0.00558 0.01368 0.05302 0.04304 38 5YZ 0.00419 -0.00850 -0.00530 0.00280 -0.25717 39 3 Br 1S -0.00264 0.00009 -0.00001 -0.00133 0.00061 40 2S 0.02132 -0.00017 0.00039 0.01012 -0.00293 41 3S -0.03303 -0.00063 -0.00111 -0.01463 0.00120 42 4S -0.03484 0.00175 0.00023 -0.01823 0.01060 43 5S 0.31180 0.02754 0.02323 0.16518 0.03874 44 6S -0.82141 -0.10510 -0.06186 -0.38713 -0.12335 45 7PX 0.00118 0.00110 0.02850 -0.00620 0.00083 46 7PY 0.00013 0.00024 0.00653 -0.00043 -0.01059 47 7PZ -0.00878 -0.00081 0.00299 0.00668 0.00144 48 8PX -0.00368 -0.00348 -0.08979 0.01954 -0.00284 49 8PY -0.00043 -0.00074 -0.02054 0.00138 0.03364 50 8PZ 0.02737 0.00253 -0.00939 -0.02094 -0.00443 51 9PX 0.00721 0.00958 0.20663 -0.04545 0.01943 52 9PY 0.00088 0.00079 0.04581 -0.00300 -0.09250 53 9PZ -0.05449 -0.00571 0.02053 0.04540 0.00353 54 10PX 0.01587 0.01078 0.44580 -0.09655 -0.06372 55 10PY 0.03051 -0.00440 0.10863 -0.02268 0.03409 56 10PZ 0.03670 0.00941 0.01676 0.02151 0.03986 57 11XX -0.00266 -0.00009 0.01456 0.09199 0.02988 58 11YY -0.01809 -0.00610 0.00204 -0.00249 -0.02527 59 11ZZ 0.06875 0.00741 -0.01483 -0.06877 -0.00532 60 11XY 0.00405 -0.00323 0.00653 0.02952 -0.08618 61 11XZ -0.00333 0.00344 0.02645 0.00046 0.01058 62 11YZ 0.01690 -0.00853 0.00332 -0.00553 0.02313 63 12XX 0.21356 0.01166 -0.04931 -0.31345 -0.11070 64 12YY 0.24657 0.04308 0.00444 0.09564 0.14485 65 12ZZ -0.10391 -0.01698 0.07639 0.39418 0.04777 66 12XY -0.01029 0.02708 -0.02862 -0.12831 0.38849 67 12XZ 0.01471 -0.01634 -0.13269 0.00322 -0.04198 68 12YZ -0.07085 0.03597 -0.01928 0.02591 -0.10155 69 4 Br 1S 0.00141 0.00130 -0.00236 0.00552 0.00488 70 2S -0.01251 -0.00800 0.01432 -0.04141 -0.03668 71 3S 0.02123 0.00821 -0.01466 0.05911 0.05238 72 4S 0.01710 0.02000 -0.03534 0.07562 0.06744 73 5S -0.19106 0.07138 -0.06423 -0.31658 -0.27573 74 6S 0.47429 -0.42525 0.36799 0.45672 0.37285 75 7PX 0.01495 -0.00868 -0.01509 -0.00179 -0.00437 76 7PY 0.00587 0.00799 -0.01571 -0.00178 0.00471 77 7PZ 0.00191 -0.00095 0.00066 -0.00122 0.01757 78 8PX -0.04697 0.02725 0.04693 0.00584 0.01419 79 8PY -0.01852 -0.02494 0.04932 0.00529 -0.01516 80 8PZ -0.00599 0.00297 -0.00206 0.00381 -0.05548 81 9PX 0.10872 -0.06325 -0.07873 -0.02817 -0.05720 82 9PY 0.04655 0.04870 -0.11335 0.00547 0.05496 83 9PZ 0.01322 -0.00694 0.00447 -0.00769 0.13748 84 10PX 0.06861 0.00658 -0.33396 0.13545 0.13103 85 10PY 0.02993 0.09487 -0.04665 -0.10114 -0.10092 86 10PZ 0.02077 -0.00475 0.00270 -0.00776 -0.00948 87 11XX -0.01327 0.02120 0.02644 -0.00280 -0.02873 88 11YY -0.01655 -0.00546 -0.03771 -0.06838 -0.02394 89 11ZZ -0.00156 -0.02629 0.02954 -0.01241 -0.02151 90 11XY 0.00851 -0.02608 -0.00299 0.00116 0.00809 91 11XZ 0.00140 0.00115 -0.00070 0.00540 -0.06699 92 11YZ -0.00250 -0.00088 0.00291 -0.00370 0.04531 93 12XX -0.07759 -0.06491 -0.09924 -0.22881 -0.09329 94 12YY -0.05928 0.04961 0.12341 0.04105 -0.11180 95 12ZZ -0.11290 0.11322 -0.14110 -0.17939 -0.11119 96 12XY -0.02396 0.08358 0.00326 0.01317 -0.01947 97 12XZ -0.00635 -0.00379 0.00290 -0.02199 0.28439 98 12YZ 0.01072 0.00258 -0.01145 0.01496 -0.18651 99 5 Cl 1S -0.00283 0.00155 0.00540 -0.00589 0.00691 100 2S 0.00931 -0.00773 -0.03047 0.01920 -0.02830 101 2PX -0.04077 -0.02880 0.05621 0.01195 -0.00787 102 2PY -0.02108 -0.04673 -0.01917 -0.00492 -0.00777 103 2PZ -0.00259 0.00113 0.00085 -0.00096 0.07529 104 3S -0.04126 0.01500 0.04572 -0.08596 0.08847 105 3PX 0.12348 0.09222 -0.15778 -0.04194 0.03493 106 3PY 0.05687 0.13268 0.07479 0.00781 0.04628 107 3PZ 0.00827 -0.00237 -0.00370 0.00525 -0.25235 108 4S 0.09107 0.29687 0.29421 -0.03339 0.12604 109 4PX 0.08655 -0.01640 -0.29005 0.08413 -0.09607 110 4PY 0.11841 0.16872 -0.21189 0.10396 -0.23242 111 4PZ 0.00829 -0.01211 0.01362 -0.02022 0.09285 112 5XX -0.01581 -0.02111 -0.00936 -0.01495 0.01185 113 5YY 0.03578 0.06908 0.01762 0.02372 -0.04150 114 5ZZ -0.02244 -0.04908 -0.02442 -0.01630 0.02427 115 5XY 0.01967 0.04540 -0.04872 -0.03946 -0.02162 116 5XZ -0.00225 -0.00257 0.00501 0.00273 -0.03669 117 5YZ -0.01198 -0.00900 -0.00245 -0.00714 -0.08575 118 6 Cl 1S 0.00200 -0.00023 0.00093 0.00695 0.00178 119 2S 0.00334 0.00218 -0.00347 -0.02152 -0.00897 120 2PX 0.00034 -0.00187 -0.06381 0.01273 0.00570 121 2PY -0.00319 -0.00056 -0.01334 0.00725 -0.03541 122 2PZ -0.06697 -0.00449 0.00985 0.03734 0.00423 123 3S 0.05542 0.00020 0.01335 0.10949 0.01986 124 3PX -0.00059 0.00750 0.20626 -0.03843 -0.03156 125 3PY 0.00928 0.00129 0.04211 -0.02483 0.12324 126 3PZ 0.20515 0.01469 -0.03424 -0.13724 -0.02176 127 4S -0.52581 -0.05888 -0.00266 -0.10778 0.02561 128 4PX 0.00204 0.00317 0.30177 -0.09568 0.12203 129 4PY 0.02436 -0.00508 0.07780 -0.00492 -0.06821 130 4PZ -0.00506 -0.01011 0.03443 0.17359 0.07037 131 5XX 0.00288 -0.00317 -0.02445 -0.11258 0.01901 132 5YY 0.07934 0.01157 0.00276 0.03165 -0.02706 133 5ZZ -0.06592 -0.00582 0.02011 0.07932 -0.00017 134 5XY -0.02106 0.01325 -0.00553 -0.03795 -0.09724 135 5XZ 0.00562 0.00668 0.06563 -0.00911 -0.01435 136 5YZ 0.00582 -0.01060 0.01382 0.00065 -0.02243 137 7 Cl 1S -0.00318 0.00138 -0.00550 -0.00589 0.00351 138 2S 0.01000 -0.00487 0.02738 0.02010 -0.01389 139 2PX 0.04177 0.03132 0.04331 -0.03958 0.00261 140 2PY 0.00315 0.05144 -0.01901 0.02029 0.01198 141 2PZ -0.00219 -0.00062 0.00392 -0.00112 0.02823 142 3S -0.04677 0.01800 -0.05526 -0.08461 0.04625 143 3PX -0.12748 -0.09630 -0.11748 0.12508 -0.01380 144 3PY -0.00445 -0.14500 0.06982 -0.05103 -0.04848 145 3PZ 0.00666 0.00176 -0.01098 0.00474 -0.09537 146 4S 0.04915 0.26313 -0.23786 0.00157 0.07487 147 4PX -0.09612 -0.01783 -0.28527 0.00344 0.05553 148 4PY -0.05397 -0.22311 -0.15692 -0.15015 0.10412 149 4PZ 0.01029 0.00624 -0.01504 -0.00931 0.04618 150 5XX -0.01624 -0.01253 0.01027 -0.03670 0.00053 151 5YY 0.02173 0.06846 -0.02231 0.06860 -0.00505 152 5ZZ -0.01051 -0.05220 0.02068 -0.03559 0.00233 153 5XY -0.00348 0.06922 0.02495 -0.05118 -0.00980 154 5XZ 0.00056 0.00087 0.00054 0.00240 0.01729 155 5YZ 0.00578 0.00110 0.00577 0.00090 0.03786 156 8 Cl 1S -0.00271 -0.00230 -0.00579 -0.00559 -0.00430 157 2S 0.01044 0.00786 0.02838 0.01834 0.01737 158 2PX 0.05890 -0.03665 0.03286 -0.02611 -0.00984 159 2PY -0.00927 0.03963 0.03441 -0.03535 0.00588 160 2PZ 0.00061 -0.00395 0.00106 0.00313 -0.03733 161 3S -0.03601 -0.03126 -0.05941 -0.08204 -0.05576 162 3PX -0.17165 0.10805 -0.08179 0.08692 0.04280 163 3PY 0.01805 -0.11146 -0.10973 0.10066 -0.02662 164 3PZ -0.00081 0.01109 -0.00141 -0.00770 0.12763 165 4S 0.12901 -0.24997 -0.23445 0.02018 -0.09550 166 4PX -0.19474 0.07620 -0.33058 -0.04751 -0.11897 167 4PY 0.12099 -0.18572 0.02766 0.12796 0.08324 168 4PZ -0.00356 0.01545 -0.02525 -0.02200 -0.05914 169 5XX 0.01368 -0.04314 0.02237 -0.05255 0.00655 170 5YY 0.02020 -0.01059 -0.03335 0.08173 0.00713 171 5ZZ -0.03221 0.04854 0.01935 -0.03417 -0.01041 172 5XY -0.05779 0.07451 -0.00438 -0.01202 -0.01320 173 5XZ 0.01141 -0.01087 0.00336 0.00426 -0.02722 174 5YZ -0.01386 0.00866 0.00125 -0.01507 0.02246 101 102 103 104 105 V V V V V Eigenvalues -- 0.30211 0.31344 0.31479 0.33160 0.33769 1 1 Al 1S -0.00170 -0.00624 -0.00216 0.00194 0.00465 2 2S 0.00143 -0.01670 -0.00889 0.01543 0.04640 3 2PX -0.00188 -0.00390 0.01565 -0.00959 0.00255 4 2PY 0.03326 0.02498 0.04801 -0.01774 -0.01112 5 2PZ -0.00967 -0.00157 0.01180 -0.00452 -0.02383 6 3S -0.05167 -0.30024 -0.11972 0.13539 0.35955 7 3PX -0.00723 0.00057 -0.10997 0.05173 -0.00881 8 3PY -0.20403 -0.26242 -0.39640 0.18991 0.12751 9 3PZ 0.05523 -0.02540 -0.04744 0.01182 0.11498 10 4S -0.17554 0.14846 -0.27545 -0.12743 -0.58689 11 4PX -0.00721 -0.25091 -0.02924 0.07692 0.47463 12 4PY 0.11524 -0.27972 -0.07267 0.02123 0.12125 13 4PZ 0.04103 -0.11893 -0.06491 -0.08089 -0.37721 14 5XX 0.03453 0.17585 0.12335 -0.05860 -0.00350 15 5YY -0.03888 -0.42056 -0.19340 0.11786 0.28269 16 5ZZ -0.02307 0.19275 0.03555 -0.02799 -0.19910 17 5XY -0.17253 0.03307 -0.38087 0.18788 -0.08122 18 5XZ -0.05018 -0.07892 0.15942 -0.03796 0.15197 19 5YZ 0.13321 0.01053 -0.16918 0.03079 0.05205 20 2 Al 1S 0.00037 -0.00136 0.00120 -0.00209 -0.00765 21 2S -0.00320 0.01858 -0.00109 -0.00902 -0.05812 22 2PX -0.02062 0.01561 -0.01188 -0.00214 0.00670 23 2PY 0.06929 0.00093 0.00066 0.03339 0.00275 24 2PZ -0.00562 -0.00644 0.00709 -0.00116 0.02304 25 3S -0.00111 0.04266 0.05325 -0.11571 -0.50890 26 3PX 0.13577 -0.00714 0.06161 0.09831 0.06763 27 3PY -0.51665 0.02292 -0.01158 -0.45807 0.06538 28 3PZ 0.04292 0.00704 -0.04130 0.01894 -0.13019 29 4S 0.08505 -0.80153 -0.08861 0.00835 0.22119 30 4PX 0.04616 -0.11789 -0.08801 0.15771 0.44921 31 4PY -0.18353 -0.01775 -0.09340 -0.19065 0.19108 32 4PZ -0.02365 -0.23148 0.12133 -0.01580 0.24853 33 5XX -0.12046 0.10638 -0.09811 -0.15460 0.07319 34 5YY 0.16471 -0.25333 0.02136 0.04755 -0.47877 35 5ZZ -0.04118 0.10412 0.04522 0.08301 0.24396 36 5XY 0.23345 0.07009 0.02857 0.49783 0.06385 37 5XZ -0.12242 0.01673 0.05878 0.08057 0.14432 38 5YZ 0.41482 0.08361 -0.19838 -0.31025 0.14629 39 3 Br 1S -0.00082 0.01456 -0.00206 0.00317 0.00309 40 2S 0.00725 -0.11673 0.01491 -0.02593 -0.02639 41 3S -0.01226 0.18008 -0.02013 0.04084 0.04351 42 4S -0.01019 0.19324 -0.03007 0.04163 0.03862 43 5S 0.09758 -1.44402 0.05898 -0.34201 -0.43172 44 6S -0.18502 2.76121 -0.00710 0.67219 0.91558 45 7PX 0.00523 -0.00352 -0.00151 -0.00046 0.00999 46 7PY -0.02220 -0.00370 0.01250 0.01017 -0.00033 47 7PZ 0.00387 -0.02716 0.00557 -0.00766 -0.00575 48 8PX -0.01666 0.01093 0.00510 0.00157 -0.03097 49 8PY 0.07051 0.01183 -0.03990 -0.03241 0.00117 50 8PZ -0.01231 0.08721 -0.01803 0.02460 0.01841 51 9PX 0.04916 -0.01407 -0.03166 -0.01000 0.03807 52 9PY -0.19608 -0.03629 0.11778 0.09280 -0.01125 53 9PZ 0.03560 -0.28874 0.06804 -0.08032 -0.05723 54 10PX -0.03313 -0.11654 0.10101 0.03205 0.25471 55 10PY 0.11175 0.03194 -0.04950 -0.02365 0.04342 56 10PZ -0.01969 0.25885 -0.11185 0.06452 0.02268 57 11XX -0.01338 -0.09500 0.02127 -0.01572 -0.00766 58 11YY 0.03093 -0.06030 -0.01309 -0.01656 -0.02492 59 11ZZ 0.00047 -0.10335 0.02020 -0.02665 -0.03050 60 11XY 0.03447 -0.00072 -0.03175 -0.00438 -0.00951 61 11XZ -0.01728 0.01154 -0.01343 -0.00511 -0.06489 62 11YZ 0.08723 0.00364 0.00872 -0.00862 -0.00061 63 12XX 0.13288 -0.53637 -0.03464 -0.15422 -0.23698 64 12YY -0.06969 -0.68530 0.11471 -0.15388 -0.16248 65 12ZZ 0.06859 -0.50773 -0.03044 -0.10794 -0.13918 66 12XY -0.16037 0.00679 0.14550 0.01504 0.04201 67 12XZ 0.07999 -0.04054 0.05424 0.02090 0.26445 68 12YZ -0.39682 -0.01879 -0.04648 0.03236 -0.00126 69 4 Br 1S 0.00612 -0.00744 0.01200 -0.00250 0.00435 70 2S -0.04913 0.06096 -0.09588 0.01885 -0.03454 71 3S 0.07600 -0.09611 0.14733 -0.02721 0.05261 72 4S 0.08032 -0.09697 0.15889 -0.03416 0.05846 73 5S -0.52692 0.68789 -0.97025 0.11364 -0.28459 74 6S 0.97541 -1.29308 1.71032 -0.13923 0.47372 75 7PX -0.00682 0.01216 -0.02207 0.00762 -0.01594 76 7PY 0.00652 -0.01061 0.01661 -0.00508 0.01060 77 7PZ 0.00263 0.00172 -0.00672 -0.00009 0.00844 78 8PX 0.02190 -0.03905 0.07070 -0.02448 0.05120 79 8PY -0.02098 0.03381 -0.05343 0.01647 -0.03415 80 8PZ -0.00822 -0.00534 0.02115 0.00034 -0.02696 81 9PX -0.07740 0.13473 -0.23476 0.08627 -0.17455 82 9PY 0.07702 -0.10504 0.19118 -0.06611 0.12502 83 9PZ 0.01581 0.00886 -0.05028 -0.00373 0.07964 84 10PX 0.11605 -0.13279 0.30444 -0.14112 0.18152 85 10PY -0.12737 0.11834 -0.28170 0.12875 -0.21026 86 10PZ 0.01278 0.03102 0.00161 0.01870 -0.01723 87 11XX -0.04051 0.09586 -0.05573 0.00205 -0.05620 88 11YY -0.04241 0.01396 -0.09957 0.02773 -0.02049 89 11ZZ -0.02641 0.02928 -0.05647 0.00860 0.00102 90 11XY 0.01901 -0.00638 0.03567 -0.01899 0.02533 91 11XZ -0.02513 0.00292 0.04183 0.00505 0.00494 92 11YZ 0.01516 0.01796 -0.02946 0.00755 -0.01181 93 12XX -0.20781 0.08038 -0.48292 0.09883 0.01401 94 12YY -0.20308 0.43983 -0.29269 -0.01363 -0.15427 95 12ZZ -0.25206 0.35858 -0.44363 0.05337 -0.22215 96 12XY -0.06119 0.00932 -0.11474 0.06466 -0.08578 97 12XZ 0.10891 -0.01711 -0.18401 -0.02474 -0.02440 98 12YZ -0.06379 -0.07697 0.12813 -0.03240 0.05555 99 5 Cl 1S 0.00657 0.01677 0.01536 -0.00312 -0.00526 100 2S -0.02463 -0.06397 -0.06265 0.02205 0.02638 101 2PX -0.01020 -0.01345 -0.04688 0.02407 0.01513 102 2PY -0.00709 -0.06215 -0.05368 0.02351 0.03948 103 2PZ 0.01863 -0.00661 -0.03035 -0.01051 -0.00844 104 3S 0.08937 0.22619 0.19776 -0.01697 -0.05612 105 3PX 0.03804 0.06703 0.17249 -0.08883 -0.06326 106 3PY 0.04635 0.26474 0.24186 -0.11020 -0.16712 107 3PZ -0.06224 0.01672 0.09822 0.04021 0.03546 108 4S 0.04030 0.18683 0.22507 -0.15643 -0.12376 109 4PX -0.06214 -0.21318 -0.22146 0.10443 0.09912 110 4PY -0.25533 -0.66863 -0.71187 0.34580 0.39033 111 4PZ 0.02416 0.06049 0.01156 -0.04723 -0.03555 112 5XX 0.03044 0.01728 0.07121 -0.03538 -0.00398 113 5YY -0.05505 -0.07167 -0.12071 0.07742 0.05240 114 5ZZ 0.02576 0.05574 0.04096 -0.02342 -0.03634 115 5XY -0.00563 -0.07898 0.00052 0.00660 0.05271 116 5XZ -0.01230 0.00213 0.02116 -0.00154 -0.01354 117 5YZ -0.02080 0.02857 0.05389 -0.01284 -0.03965 118 6 Cl 1S 0.00139 -0.00547 -0.00191 0.00179 0.00004 119 2S -0.00653 0.01812 0.00486 -0.00390 -0.00072 120 2PX 0.00777 0.00796 -0.02253 -0.02443 -0.02738 121 2PY -0.04679 0.00002 0.09688 0.07251 -0.03386 122 2PZ 0.00873 -0.05067 0.00161 -0.01161 -0.00691 123 3S 0.01670 -0.08428 -0.03290 0.03179 -0.00103 124 3PX -0.03397 -0.02307 0.09112 0.08796 0.10296 125 3PY 0.16396 -0.00145 -0.34704 -0.26540 0.12581 126 3PZ -0.03590 0.19881 -0.00071 0.04046 0.02633 127 4S 0.03164 0.00562 0.07628 -0.03601 0.02848 128 4PX 0.08211 -0.06545 -0.14893 -0.06589 -0.09965 129 4PY -0.07322 0.01846 0.27562 0.25402 -0.12890 130 4PZ 0.05973 -0.23210 -0.03550 -0.01015 -0.00947 131 5XX -0.01983 0.01330 0.00843 0.03934 -0.00155 132 5YY 0.01910 -0.02246 -0.00077 -0.03098 -0.00135 133 5ZZ -0.00401 0.01331 -0.00869 -0.00367 0.00271 134 5XY 0.03307 0.02211 0.02661 -0.09341 0.01573 135 5XZ -0.01064 0.00633 0.01516 -0.00618 0.01309 136 5YZ -0.02559 -0.00243 0.06407 0.03450 -0.00456 137 7 Cl 1S -0.01481 0.01026 -0.00293 -0.01003 0.01319 138 2S 0.05651 -0.03644 0.00714 0.04365 -0.05696 139 2PX -0.01772 0.00510 -0.00667 -0.04704 0.02499 140 2PY -0.03755 0.03716 -0.00275 -0.04736 0.09092 141 2PZ -0.05610 -0.02036 0.04519 0.04879 -0.00427 142 3S -0.19973 0.14480 -0.04925 -0.12219 0.16340 143 3PX 0.07806 -0.03303 0.02465 0.17413 -0.10932 144 3PY 0.17225 -0.15081 0.01084 0.20817 -0.37362 145 3PZ 0.18994 0.06822 -0.15730 -0.16931 0.00935 146 4S -0.17188 0.10465 0.01103 -0.19237 0.22603 147 4PX -0.22326 0.15393 -0.02642 -0.24460 0.23205 148 4PY -0.55017 0.33486 -0.03109 -0.55718 0.77081 149 4PZ -0.07655 -0.00285 0.08258 0.09652 0.00792 150 5XX -0.03300 -0.00554 -0.00543 -0.06694 0.00981 151 5YY 0.07528 -0.00813 -0.00153 0.11132 -0.08418 152 5ZZ -0.04209 0.01996 -0.00169 -0.03535 0.06063 153 5XY 0.04740 -0.04957 0.00681 -0.00068 -0.08915 154 5XZ -0.03497 -0.00040 0.01965 0.03213 -0.01121 155 5YZ -0.06712 -0.02010 0.03463 0.05331 -0.04339 156 8 Cl 1S 0.01353 0.01017 0.00412 0.01543 0.00784 157 2S -0.05148 -0.03296 -0.01003 -0.06614 -0.03635 158 2PX 0.02751 0.01222 0.00540 0.08373 0.02775 159 2PY -0.01608 -0.03545 -0.00752 -0.05399 -0.05103 160 2PZ 0.05590 -0.00330 -0.03231 -0.04891 0.02277 161 3S 0.18284 0.15173 0.06978 0.19092 0.09101 162 3PX -0.12460 -0.06233 -0.01958 -0.33645 -0.12751 163 3PY 0.08639 0.13339 0.03068 0.23576 0.20429 164 3PZ -0.19249 0.00855 0.11082 0.16182 -0.08743 165 4S 0.14585 0.05242 -0.02785 0.27643 0.15097 166 4PX 0.39058 0.22763 0.04201 0.65775 0.32413 167 4PY -0.36808 -0.20712 -0.05726 -0.61862 -0.40764 168 4PZ 0.11945 0.04245 -0.06182 -0.01415 0.09438 169 5XX -0.01023 -0.04115 0.02037 0.00099 -0.07673 170 5YY -0.04136 0.03432 -0.01102 -0.05871 0.02156 171 5ZZ 0.05148 0.01848 0.00153 0.04516 0.04220 172 5XY 0.08164 0.02239 -0.00122 0.10650 0.06926 173 5XZ 0.05231 0.00209 -0.03721 -0.06984 -0.01586 174 5YZ -0.03727 0.00393 0.02817 0.06437 0.02223 106 107 108 109 110 V V V V V Eigenvalues -- 0.35309 0.36127 0.37472 0.39166 0.40087 1 1 Al 1S -0.00297 0.00097 0.00468 -0.00173 0.00467 2 2S 0.04729 -0.00956 0.02692 -0.00791 -0.07820 3 2PX -0.02353 0.00359 0.01293 0.00701 -0.00827 4 2PY -0.01517 0.00026 -0.00716 0.00999 0.00077 5 2PZ -0.01081 -0.03614 0.00236 -0.00654 -0.01685 6 3S 0.10462 -0.02716 0.30419 -0.11836 -0.07905 7 3PX 0.19176 -0.02173 -0.08193 -0.02866 0.08645 8 3PY 0.13670 -0.00398 0.04626 -0.02343 -0.05666 9 3PZ 0.05757 0.17688 -0.11823 -0.04659 0.11807 10 4S -0.54177 0.13166 -0.41404 0.04213 -0.32061 11 4PX 0.24932 0.05081 0.70734 -0.63683 0.21921 12 4PY 0.18957 -0.12647 -0.14337 0.33694 -0.07788 13 4PZ -0.06461 -0.76353 -0.12348 -0.38727 -0.15943 14 5XX -0.13807 -0.02467 -0.06577 0.14056 -0.20633 15 5YY 0.18256 0.01897 0.16631 -0.07659 -0.09030 16 5ZZ -0.06336 0.04447 -0.11580 -0.05209 -0.00058 17 5XY -0.15735 0.01833 -0.11168 0.21940 -0.00812 18 5XZ -0.40543 0.24226 0.14129 0.12284 -0.04101 19 5YZ -0.21110 0.15745 0.04223 0.04943 0.06995 20 2 Al 1S -0.00155 -0.00233 0.00277 0.00998 -0.00040 21 2S 0.00210 0.06387 0.01995 -0.01154 -0.07056 22 2PX 0.00666 0.02243 -0.00974 -0.01778 -0.00009 23 2PY -0.00419 0.01057 0.00812 -0.02397 0.01146 24 2PZ -0.03335 0.01561 -0.01811 -0.01093 -0.00980 25 3S -0.06617 0.18832 0.15854 0.39296 -0.26316 26 3PX -0.11004 -0.25419 0.07182 0.07816 -0.02960 27 3PY 0.05284 -0.09125 -0.05598 0.11218 -0.04570 28 3PZ 0.18361 -0.08611 -0.03406 0.03376 0.07702 29 4S 0.12354 -0.15394 0.01911 -1.25315 -0.02959 30 4PX 0.05280 -0.29026 -0.06484 -0.69354 0.06957 31 4PY -0.05397 0.00270 0.08348 -0.32796 0.04641 32 4PZ -0.62680 0.25982 -0.41918 -0.16996 -0.13468 33 5XX -0.04634 -0.14595 0.13451 -0.36593 -0.04943 34 5YY 0.06262 0.29979 0.10123 0.14165 -0.11362 35 5ZZ 0.00785 -0.10139 -0.14553 0.02865 -0.07274 36 5XY -0.10633 -0.07871 0.02176 -0.14906 -0.01302 37 5XZ 0.01175 0.47009 -0.33348 -0.02922 0.02553 38 5YZ 0.01662 0.09585 -0.09632 -0.03246 0.09655 39 3 Br 1S 0.01210 0.00801 0.00502 0.00486 -0.00045 40 2S -0.09925 -0.06742 -0.05274 -0.04327 0.00485 41 3S 0.15704 0.10946 0.10331 0.07515 -0.00839 42 4S 0.15804 0.10271 0.04761 0.05471 -0.00951 43 5S -1.45563 -1.05776 -1.52105 -1.12732 -0.16487 44 6S 2.99376 2.20280 3.51007 2.58244 0.48665 45 7PX 0.00177 -0.01004 -0.00441 0.01949 -0.01528 46 7PY 0.00642 -0.00329 0.00643 -0.02130 0.02222 47 7PZ -0.02317 -0.02046 0.00250 0.02454 0.04660 48 8PX -0.00606 0.03304 0.01402 -0.06256 0.04913 49 8PY -0.02068 0.01067 -0.02079 0.06837 -0.07145 50 8PZ 0.07437 0.06552 -0.00942 -0.07952 -0.14996 51 9PX 0.04126 -0.15329 -0.03749 0.20206 -0.16257 52 9PY 0.07147 -0.04200 0.07322 -0.21649 0.23429 53 9PZ -0.24187 -0.20399 0.10901 0.29730 0.50052 54 10PX -0.11088 0.34902 0.00986 -0.21444 0.17050 55 10PY -0.09519 0.07979 -0.07379 0.13284 -0.20444 56 10PZ 0.16104 0.11241 -0.46512 -0.48381 -0.53000 57 11XX -0.07814 -0.03357 0.01592 -0.02016 0.01657 58 11YY -0.05837 -0.06020 -0.16566 -0.10429 -0.03713 59 11ZZ -0.08998 -0.06501 -0.00370 0.01650 0.03547 60 11XY 0.00456 -0.00805 0.03724 0.02486 0.01382 61 11XZ 0.03713 -0.06861 0.00391 0.02309 -0.01902 62 11YZ 0.00182 0.00112 0.03840 -0.03477 0.04047 63 12XX -0.57103 -0.52222 -0.97432 -0.52684 -0.10885 64 12YY -0.65529 -0.39881 -0.16550 -0.15884 0.13570 65 12ZZ -0.52159 -0.37814 -0.86989 -0.70117 -0.19697 66 12XY -0.02518 0.03702 -0.15993 -0.11561 -0.06083 67 12XZ -0.16045 0.29302 -0.01426 -0.10190 0.08620 68 12YZ -0.00453 -0.01065 -0.17546 0.16796 -0.18962 69 4 Br 1S 0.00553 -0.00220 -0.00427 0.00660 -0.00399 70 2S -0.04645 0.01957 0.03762 -0.05917 0.03377 71 3S 0.07518 -0.03334 -0.06371 0.10205 -0.05459 72 4S 0.07083 -0.02705 -0.05253 0.07894 -0.05296 73 5S -0.57765 0.30033 0.72487 -1.22729 0.36703 74 6S 1.14337 -0.63784 -1.57339 2.71238 -0.69641 75 7PX -0.01733 0.00357 -0.00847 0.00244 0.01876 76 7PY 0.01325 -0.00600 -0.01156 0.00823 -0.03170 77 7PZ -0.00397 0.01909 0.00037 0.01135 -0.00328 78 8PX 0.05550 -0.01134 0.02737 -0.00843 -0.06021 79 8PY -0.04245 0.01920 0.03670 -0.02594 0.10182 80 8PZ 0.01293 -0.06094 -0.00118 -0.03627 0.01063 81 9PX -0.17827 0.03199 -0.10215 0.06327 0.19940 82 9PY 0.14039 -0.05976 -0.09275 0.05191 -0.33639 83 9PZ -0.05212 0.17906 0.00221 0.10794 -0.04009 84 10PX 0.13679 -0.00921 0.14550 -0.24683 -0.21430 85 10PY -0.16749 0.04274 -0.06729 0.15994 0.32965 86 10PZ 0.08627 -0.04079 0.02467 -0.03459 0.06610 87 11XX -0.05429 0.01077 0.00801 -0.01198 -0.00420 88 11YY -0.02165 0.02671 0.04406 -0.07653 0.05019 89 11ZZ -0.03335 0.01154 0.04129 -0.06094 0.03421 90 11XY 0.02312 0.00524 0.04114 -0.05060 -0.02354 91 11XZ 0.01400 0.01418 0.02006 0.01101 0.01812 92 11YZ 0.05327 -0.00716 -0.00785 0.00978 0.02771 93 12XX -0.16968 0.15686 0.40312 -0.67545 0.30358 94 12YY -0.32670 0.08637 0.23131 -0.38095 0.05622 95 12ZZ -0.25072 0.15124 0.26602 -0.47874 0.11420 96 12XY -0.08396 -0.02660 -0.16717 0.20278 0.09375 97 12XZ -0.07037 -0.07026 -0.09611 -0.05452 -0.08668 98 12YZ -0.23601 0.03749 0.03910 -0.04182 -0.12531 99 5 Cl 1S -0.00505 0.00185 0.00461 -0.00607 -0.00107 100 2S 0.01839 -0.00405 -0.00201 0.00675 -0.01269 101 2PX -0.00093 0.00922 0.05054 -0.03059 0.00126 102 2PY 0.03601 -0.01445 -0.01682 0.02476 -0.09332 103 2PZ -0.03651 -0.03099 0.02263 0.02289 -0.03369 104 3S -0.07101 0.03288 0.10254 -0.12346 -0.05317 105 3PX -0.00390 -0.03272 -0.18884 0.11866 0.00213 106 3PY -0.14641 0.05430 0.05323 -0.08827 0.36709 107 3PZ 0.12363 0.11732 -0.08386 -0.08811 0.12741 108 4S -0.03427 -0.02181 -0.13801 0.12696 0.24372 109 4PX 0.04169 0.01040 0.12954 -0.08793 -0.08174 110 4PY 0.28334 -0.05606 0.05662 0.03766 -0.50759 111 4PZ -0.04757 -0.05606 0.09093 0.13590 -0.11151 112 5XX -0.00366 -0.00167 0.00099 -0.02279 0.00372 113 5YY 0.03531 -0.00599 0.03455 -0.00540 -0.05548 114 5ZZ -0.03281 0.01265 -0.00959 -0.00303 0.01363 115 5XY 0.04803 -0.00230 0.04335 -0.04661 -0.02532 116 5XZ -0.00294 -0.01810 -0.01003 -0.01197 -0.00249 117 5YZ 0.06213 -0.04784 -0.01721 -0.01297 -0.01023 118 6 Cl 1S 0.02790 0.01475 -0.00413 0.00788 0.01672 119 2S -0.07233 -0.03452 0.02908 -0.00959 -0.04005 120 2PX -0.02458 0.01609 0.02015 -0.04955 0.00204 121 2PY 0.02165 -0.01284 -0.00828 -0.03783 0.03911 122 2PZ 0.02419 -0.00320 -0.08398 0.02585 0.13912 123 3S 0.47452 0.25900 -0.03189 0.15921 0.29878 124 3PX 0.05829 -0.00216 -0.09358 0.21080 -0.00530 125 3PY -0.08991 0.05738 0.02801 0.15284 -0.15806 126 3PZ -0.14049 -0.01130 0.35399 -0.09218 -0.55694 127 4S -0.33664 -0.23623 -0.07785 -0.12054 -0.20311 128 4PX 0.23705 -0.46726 0.24305 -0.43678 0.00515 129 4PY 0.15330 -0.13284 0.01892 -0.25347 0.22088 130 4PZ 0.53151 0.20723 -0.52257 0.11664 0.77767 131 5XX -0.00059 0.01413 0.03026 0.03552 0.00334 132 5YY 0.10766 0.04407 -0.08948 -0.02467 0.06158 133 5ZZ -0.06872 -0.02748 0.10761 0.02836 -0.04646 134 5XY -0.00011 -0.01275 0.01739 0.01272 -0.01119 135 5XZ -0.09874 0.17789 -0.06357 0.08807 0.00281 136 5YZ -0.02420 0.02247 0.00023 0.02482 -0.04289 137 7 Cl 1S -0.00129 -0.00587 0.00165 0.00522 -0.00267 138 2S 0.00151 0.02716 0.00314 -0.01124 -0.00843 139 2PX 0.00596 -0.00932 -0.01429 -0.04582 0.02389 140 2PY -0.00482 -0.06196 0.00262 0.04578 0.06111 141 2PZ -0.04159 0.00535 0.00744 -0.03499 0.01246 142 3S -0.02595 -0.06884 0.04689 0.09512 -0.08071 143 3PX -0.01887 0.04364 0.05340 0.17700 -0.09463 144 3PY 0.01510 0.25168 0.00077 -0.17873 -0.24466 145 3PZ 0.14792 -0.03006 -0.02527 0.13072 -0.05253 146 4S 0.01910 -0.11108 -0.09056 -0.06081 0.23409 147 4PX 0.00539 -0.09695 -0.05393 -0.14110 0.13295 148 4PY 0.00705 -0.48468 -0.10605 0.23455 0.37382 149 4PZ -0.04836 0.06782 0.05294 -0.10686 0.09202 150 5XX 0.00666 -0.01193 -0.01251 0.02598 0.00927 151 5YY -0.01897 0.05251 0.04712 -0.02798 -0.05262 152 5ZZ 0.00608 -0.03069 -0.01977 0.01163 0.00455 153 5XY 0.01525 0.06111 0.01482 0.05803 -0.02727 154 5XZ 0.01028 -0.00387 0.01135 -0.00095 0.00044 155 5YZ -0.00412 -0.06542 0.04003 0.00601 -0.02137 156 8 Cl 1S -0.00255 -0.00681 -0.00077 0.00973 -0.00663 157 2S 0.01131 0.02789 0.00507 -0.01767 -0.00212 158 2PX -0.00958 -0.04146 -0.03138 0.02238 0.02362 159 2PY 0.01375 0.05337 -0.00884 -0.06322 -0.03395 160 2PZ -0.04941 0.00162 -0.00410 0.02625 -0.03418 161 3S -0.03049 -0.08906 -0.00510 0.18468 -0.15733 162 3PX 0.04312 0.16983 0.11829 -0.07866 -0.10138 163 3PY -0.05766 -0.21215 0.02969 0.24056 0.13759 164 3PZ 0.17842 -0.01275 0.01826 -0.10109 0.12872 165 4S -0.04464 -0.10075 -0.05684 -0.11177 0.31376 166 4PX -0.11695 -0.30016 -0.12534 0.09580 0.20421 167 4PY 0.13715 0.37697 0.00972 -0.22299 -0.23251 168 4PZ -0.09083 0.02035 0.00676 0.12764 -0.11164 169 5XX 0.01026 0.03690 -0.00177 0.07423 -0.04085 170 5YY 0.00157 0.00347 0.00440 -0.04342 -0.01775 171 5ZZ -0.00955 -0.03502 0.00065 -0.00396 0.00465 172 5XY -0.02722 -0.06097 -0.00952 -0.03554 0.04925 173 5XZ 0.01250 -0.01659 0.02515 0.01344 0.00394 174 5YZ 0.00165 0.04786 -0.03170 0.00434 -0.00453 111 112 113 114 115 V V V V V Eigenvalues -- 0.40831 0.43192 0.43539 0.44215 0.44406 1 1 Al 1S -0.00457 0.00250 0.00804 -0.00248 0.00051 2 2S 0.01884 0.02174 0.02890 0.01110 -0.00938 3 2PX -0.00171 -0.04049 -0.00306 0.01335 -0.00594 4 2PY 0.02898 0.02105 -0.01437 0.01071 -0.02138 5 2PZ 0.00268 0.02904 -0.01711 -0.01073 -0.00555 6 3S -0.14388 0.20242 0.44256 -0.04884 -0.01171 7 3PX -0.01575 0.12755 -0.04229 -0.01834 0.04648 8 3PY -0.08205 -0.01172 0.05715 -0.01894 0.05905 9 3PZ -0.06384 -0.11025 0.03451 0.08158 0.11499 10 4S 0.67657 -0.86013 -1.21513 0.16456 -0.12813 11 4PX -0.47463 -0.11840 0.21351 0.15923 0.05123 12 4PY 0.01239 0.52554 0.43208 -0.07310 -0.05424 13 4PZ 0.07105 0.04373 -0.06298 -0.02604 0.11928 14 5XX 0.21732 -0.13718 -0.13706 -0.02865 -0.03066 15 5YY -0.00118 -0.07946 0.05153 -0.03446 0.07687 16 5ZZ -0.05680 0.19162 0.07881 0.07432 -0.08361 17 5XY 0.17623 0.25195 0.16250 -0.11875 -0.01790 18 5XZ 0.01972 0.00787 0.06291 0.07229 0.01337 19 5YZ 0.17301 -0.11175 0.16211 0.11173 0.06138 20 2 Al 1S 0.00483 0.00008 -0.00315 0.00191 0.00021 21 2S 0.02370 -0.01575 0.00203 -0.02967 0.00713 22 2PX -0.01384 -0.00388 -0.00209 0.00517 0.00526 23 2PY 0.02049 0.00394 -0.02688 -0.00007 -0.00313 24 2PZ 0.00378 -0.01379 0.00837 -0.00941 -0.00305 25 3S 0.29331 -0.07760 -0.14065 -0.01854 0.02597 26 3PX 0.07064 0.00920 -0.00109 -0.04554 -0.02099 27 3PY -0.03170 0.02915 0.19840 0.03047 0.01397 28 3PZ -0.01883 0.06726 -0.10018 0.06291 0.01322 29 4S -0.57131 0.22405 0.54262 -0.16739 0.08009 30 4PX -0.37135 0.13851 0.35248 -0.08328 0.02947 31 4PY -0.05071 0.01688 -0.10242 0.06692 -0.08348 32 4PZ 0.12271 -0.12689 0.03037 -0.07570 -0.15370 33 5XX -0.10001 0.04038 0.33915 -0.05517 -0.07230 34 5YY 0.09060 -0.01843 -0.17809 -0.00924 0.06722 35 5ZZ 0.02284 -0.00820 -0.08830 -0.06223 0.04924 36 5XY -0.15755 -0.00487 -0.10928 -0.03773 -0.11732 37 5XZ -0.05065 -0.10253 -0.03988 0.03866 -0.05974 38 5YZ 0.17580 0.07115 0.19040 -0.07654 0.07352 39 3 Br 1S -0.00124 0.00045 0.00048 0.00063 0.00236 40 2S 0.00959 -0.00657 -0.00605 -0.00424 -0.01794 41 3S -0.01462 0.01498 0.01325 0.00543 0.02606 42 4S -0.01552 0.00289 0.00275 0.00826 0.03303 43 5S 0.21322 -0.21546 -0.24140 -0.14038 -0.26622 44 6S -0.48845 0.54207 0.60171 0.32549 0.49857 45 7PX -0.00427 0.01412 -0.00612 0.00847 0.01413 46 7PY 0.05290 0.01044 -0.01886 0.01279 -0.00235 47 7PZ -0.00831 -0.02022 0.00846 0.00415 -0.02456 48 8PX 0.01369 -0.04537 0.01990 -0.02741 -0.04558 49 8PY -0.17018 -0.03378 0.06064 -0.04114 0.00763 50 8PZ 0.02675 0.06500 -0.02737 -0.01344 0.07892 51 9PX -0.04011 0.14696 -0.08132 0.09819 0.15651 52 9PY 0.56281 0.12061 -0.19716 0.13584 -0.02725 53 9PZ -0.08919 -0.21071 0.09801 0.05093 -0.25332 54 10PX -0.03596 -0.06701 0.22008 -0.13684 -0.18509 55 10PY -0.55194 -0.16943 0.17180 -0.13260 0.03663 56 10PZ 0.10837 0.15296 -0.14541 -0.08658 0.20510 57 11XX -0.00680 0.04734 -0.00514 0.00702 -0.00684 58 11YY 0.02503 -0.01845 -0.01757 -0.01033 -0.01803 59 11ZZ 0.00194 -0.05216 0.00298 -0.00346 -0.01203 60 11XY -0.00093 -0.05034 0.01764 0.04906 0.02597 61 11XZ -0.00749 0.01244 -0.00775 0.01343 0.00735 62 11YZ 0.08174 0.07097 -0.05024 -0.00569 -0.02222 63 12XX 0.14193 -0.35356 -0.10825 -0.09331 -0.12084 64 12YY -0.00501 -0.05155 -0.05832 -0.01158 -0.07175 65 12ZZ 0.10190 0.11090 -0.15183 -0.03799 -0.09154 66 12XY 0.00382 0.23434 -0.08729 -0.22939 -0.12118 67 12XZ 0.04191 -0.06305 0.02390 -0.06033 -0.03413 68 12YZ -0.37721 -0.32911 0.23862 0.02808 0.10427 69 4 Br 1S 0.00149 0.00558 0.00503 -0.00158 -0.00036 70 2S -0.01177 -0.04631 -0.04512 0.01285 0.00189 71 3S 0.01770 0.07463 0.07783 -0.02032 -0.00131 72 4S 0.02060 0.07041 0.06062 -0.02013 -0.00583 73 5S -0.17128 -1.07363 -0.99750 0.28673 0.03004 74 6S 0.32761 2.39381 2.24230 -0.63801 -0.04909 75 7PX 0.00762 -0.00664 -0.03152 0.00596 -0.00698 76 7PY 0.01025 -0.02073 -0.01560 0.00707 -0.00289 77 7PZ -0.02450 0.02772 -0.02170 -0.01247 -0.01640 78 8PX -0.02444 0.02096 0.10081 -0.01917 0.02243 79 8PY -0.03287 0.06700 0.05047 -0.02290 0.00932 80 8PZ 0.07867 -0.08926 0.06981 0.04015 0.05269 81 9PX 0.07920 -0.03689 -0.29757 0.05920 -0.07492 82 9PY 0.10195 -0.24927 -0.18899 0.08560 -0.03060 83 9PZ -0.25486 0.29923 -0.23118 -0.13369 -0.17055 84 10PX -0.04801 -0.19409 0.05188 -0.01850 0.07584 85 10PY -0.06070 0.42234 0.32772 -0.14654 0.02386 86 10PZ 0.22545 -0.30069 0.22184 0.13098 0.13622 87 11XX 0.00788 -0.05317 -0.03797 0.11589 -0.05530 88 11YY -0.02671 0.03382 0.02025 0.03350 -0.03216 89 11ZZ -0.00665 -0.08769 -0.09625 -0.12049 0.08876 90 11XY -0.01248 -0.02116 -0.01590 0.08678 -0.04805 91 11XZ 0.01325 0.01757 -0.00730 -0.07705 -0.11743 92 11YZ 0.03719 -0.10045 0.05102 -0.04612 -0.08461 93 12XX -0.13851 -0.31953 -0.40179 -0.38528 0.26106 94 12YY 0.02308 -0.72439 -0.67062 -0.00668 0.15487 95 12ZZ -0.07572 -0.19309 -0.15136 0.71885 -0.40442 96 12XY 0.05201 0.05932 0.04769 -0.39409 0.22735 97 12XZ -0.06480 -0.07787 0.03185 0.35707 0.54746 98 12YZ -0.16783 0.46282 -0.23548 0.21468 0.39130 99 5 Cl 1S -0.00688 0.00545 0.01104 -0.00303 0.00069 100 2S 0.01480 -0.00432 -0.00911 0.00178 -0.00048 101 2PX 0.00322 -0.03243 -0.05290 0.01146 -0.00988 102 2PY 0.07515 0.01887 -0.03211 0.05596 -0.05444 103 2PZ -0.05283 0.03212 -0.02784 -0.05522 -0.07354 104 3S -0.12516 0.11653 0.23679 -0.06906 0.01694 105 3PX -0.00791 0.13423 0.20350 -0.04467 0.03497 106 3PY -0.28803 -0.07628 0.11319 -0.21156 0.20737 107 3PZ 0.20927 -0.13183 0.11686 0.21827 0.28854 108 4S 0.06879 -0.20666 -0.33974 0.10032 0.00017 109 4PX 0.02748 -0.16879 -0.21458 0.02613 -0.02460 110 4PY 0.32319 0.10374 -0.04319 0.17272 -0.19023 111 4PZ -0.26640 0.18068 -0.17632 -0.26212 -0.35575 112 5XX -0.02706 -0.04075 -0.01861 0.01625 0.00010 113 5YY 0.01356 0.06890 0.07048 -0.04201 0.00373 114 5ZZ -0.00208 -0.00097 0.00101 0.01680 -0.00515 115 5XY -0.04869 -0.06056 0.00607 0.01318 0.02131 116 5XZ -0.00080 0.02364 -0.01388 -0.00696 0.00125 117 5YZ -0.04458 0.05137 -0.06747 -0.04191 -0.03956 118 6 Cl 1S -0.00800 0.00150 -0.00269 0.00307 -0.00148 119 2S 0.02072 -0.00202 0.01223 -0.01047 -0.00541 120 2PX -0.05663 0.02123 -0.01207 0.00333 0.03115 121 2PY 0.04417 -0.02681 0.07812 0.00334 0.05827 122 2PZ -0.05692 0.02179 -0.04879 0.05240 0.01377 123 3S -0.13924 0.03049 -0.03638 0.04854 -0.04686 124 3PX 0.23441 -0.08658 0.04418 -0.00383 -0.13499 125 3PY -0.18017 0.10435 -0.31040 -0.00959 -0.23306 126 3PZ 0.23626 -0.08579 0.21033 -0.21160 -0.06506 127 4S 0.09548 0.01152 0.04697 0.02422 0.13160 128 4PX -0.41467 0.19509 0.06885 -0.07310 0.26811 129 4PY 0.20547 -0.14434 0.36931 -0.00983 0.31243 130 4PZ -0.37976 0.11577 -0.33537 0.30366 0.15249 131 5XX -0.01301 0.05770 -0.01702 0.01364 0.00084 132 5YY -0.04376 -0.01378 -0.05209 0.01426 0.02780 133 5ZZ 0.05173 -0.03852 0.08434 -0.03352 -0.05245 134 5XY 0.01338 0.02322 0.04927 -0.01398 0.01702 135 5XZ 0.07232 0.00059 0.00386 0.04717 -0.03424 136 5YZ -0.06160 -0.01870 -0.05269 0.01554 -0.03691 137 7 Cl 1S 0.00804 -0.00211 -0.01250 -0.00482 0.00323 138 2S -0.00973 0.00060 0.00594 0.00018 -0.00150 139 2PX -0.00861 0.00132 -0.03993 0.02809 -0.04137 140 2PY 0.03764 0.02033 -0.03981 0.02033 0.00796 141 2PZ 0.07534 0.00722 0.03203 0.00441 0.01043 142 3S 0.16326 -0.04707 -0.27963 -0.11087 0.07110 143 3PX 0.04083 -0.00462 0.14686 -0.10937 0.16477 144 3PY -0.14070 -0.08081 0.13548 -0.08237 -0.03146 145 3PZ -0.29083 -0.03015 -0.13055 -0.01378 -0.04355 146 4S -0.19868 0.07594 0.40736 0.23428 -0.14670 147 4PX -0.06335 0.00136 -0.11516 0.14470 -0.21391 148 4PY 0.12330 0.11479 0.04775 0.13849 0.02925 149 4PZ 0.31186 0.05451 0.18103 0.00248 0.07985 150 5XX 0.02986 -0.00382 0.00116 -0.00062 0.02314 151 5YY 0.00148 -0.01976 -0.08992 -0.02858 -0.01144 152 5ZZ 0.00490 0.00926 0.02402 -0.00530 0.00828 153 5XY 0.06002 -0.00216 -0.06338 -0.00467 0.03328 154 5XZ -0.01036 -0.00668 -0.01642 0.01273 -0.00111 155 5YZ -0.03433 -0.00340 -0.05301 0.02328 -0.01474 156 8 Cl 1S 0.00370 0.00193 0.00530 0.00219 0.00323 157 2S 0.00116 -0.00128 0.00144 -0.00238 0.00035 158 2PX -0.03533 0.01487 0.05463 0.02523 -0.00315 159 2PY 0.00007 0.02082 0.04829 -0.02218 -0.01963 160 2PZ -0.05796 -0.03532 0.00361 -0.01204 -0.04144 161 3S 0.08893 0.04141 0.12821 0.04678 0.07730 162 3PX 0.13940 -0.05639 -0.20799 -0.09714 0.01796 163 3PY -0.00521 -0.08013 -0.20094 0.08579 0.07178 164 3PZ 0.22901 0.14185 -0.00595 0.04243 0.16238 165 4S -0.15300 -0.07263 -0.22854 -0.07947 -0.13102 166 4PX -0.17473 0.04315 0.14410 0.09714 -0.07435 167 4PY 0.06563 0.08154 0.34525 -0.08178 -0.02417 168 4PZ -0.29777 -0.17375 -0.04089 -0.02168 -0.17835 169 5XX 0.02714 -0.00505 -0.04455 0.00811 0.02289 170 5YY -0.00033 0.00841 0.09296 -0.00007 -0.00273 171 5ZZ -0.00014 0.00838 -0.01306 -0.00165 -0.00073 172 5XY -0.03290 0.00731 -0.03721 -0.00388 -0.03061 173 5XZ 0.02438 0.03303 0.03367 -0.01241 0.02640 174 5YZ -0.03813 -0.03435 -0.04118 0.01170 -0.02275 116 117 118 119 120 V V V V V Eigenvalues -- 0.46516 0.48053 0.48731 0.49952 0.51135 1 1 Al 1S 0.00097 0.00447 0.00267 -0.00045 -0.00381 2 2S 0.00409 0.02454 0.02285 0.01309 0.02400 3 2PX -0.01875 0.04911 0.00758 -0.01620 -0.01628 4 2PY 0.00332 0.04226 0.01855 -0.01010 0.01036 5 2PZ -0.00082 0.00877 0.00376 -0.01570 0.01633 6 3S 0.05692 0.29671 0.20284 0.05890 -0.03779 7 3PX 0.03786 -0.20934 -0.05040 0.07237 0.08447 8 3PY -0.00642 -0.10936 -0.12731 0.04315 0.04277 9 3PZ 0.00452 -0.08390 -0.04834 0.01444 -0.10215 10 4S -0.25549 -0.90593 -0.62489 -0.41573 -0.03272 11 4PX -0.11689 0.21052 0.00935 0.01745 -0.22631 12 4PY 0.21533 0.42833 0.25770 0.18502 0.17966 13 4PZ 0.10874 -0.12424 -0.00513 -0.27540 0.12231 14 5XX 0.00491 0.00271 0.00232 0.04821 -0.09591 15 5YY -0.04313 -0.05133 -0.09152 -0.06591 0.01035 16 5ZZ 0.03387 -0.01391 0.08945 -0.03483 0.09493 17 5XY 0.07536 0.04496 0.09635 0.01819 0.00389 18 5XZ 0.01649 0.03573 0.06719 -0.08854 -0.09766 19 5YZ 0.05898 -0.01694 0.04902 -0.26103 -0.13280 20 2 Al 1S 0.00060 -0.00320 -0.00012 -0.00047 0.00107 21 2S -0.00340 0.03914 0.01256 -0.00869 -0.02367 22 2PX -0.00601 -0.03010 -0.01683 -0.00413 0.00023 23 2PY 0.01574 0.00790 -0.01743 0.01580 -0.01551 24 2PZ -0.00151 0.01501 0.00542 -0.00196 0.00003 25 3S -0.00039 0.02388 0.03545 -0.04795 -0.04800 26 3PX 0.01677 0.12877 0.11562 -0.04798 -0.03831 27 3PY 0.00686 0.02358 -0.04665 -0.01408 -0.03172 28 3PZ 0.00742 -0.19146 -0.07043 -0.07370 -0.01558 29 4S 0.08973 -0.02921 -0.03153 0.14079 0.05726 30 4PX 0.02864 -0.01268 0.02944 0.04937 0.01464 31 4PY 0.06945 0.01761 -0.26251 0.09684 -0.19616 32 4PZ 0.01182 -0.26348 -0.10321 -0.16702 -0.07666 33 5XX 0.02647 0.24457 0.02536 0.08563 0.16877 34 5YY -0.02405 -0.31069 -0.00027 0.06900 0.16469 35 5ZZ 0.01963 0.13268 0.00874 -0.18651 -0.38868 36 5XY -0.01637 0.05852 0.35131 0.05672 0.10391 37 5XZ 0.06387 -0.06688 -0.12926 0.33360 0.20941 38 5YZ -0.40926 -0.11772 0.15663 -0.09709 0.20040 39 3 Br 1S -0.00093 0.00639 0.00221 0.00543 0.00294 40 2S 0.00635 -0.05003 -0.01862 -0.03890 -0.02014 41 3S -0.00807 0.07638 0.03071 0.05320 0.02566 42 4S -0.01324 0.08300 0.02692 0.07541 0.04271 43 5S 0.09286 -0.98732 -0.43009 -0.56284 -0.17818 44 6S -0.18613 2.13375 0.97166 1.11246 0.22692 45 7PX -0.00133 -0.01049 0.00173 0.00556 0.00953 46 7PY 0.01807 0.01338 -0.00268 0.01484 0.00363 47 7PZ -0.00760 0.02457 0.00807 0.03218 0.01935 48 8PX 0.00427 0.03387 -0.00557 -0.01792 -0.03094 49 8PY -0.05818 -0.04311 0.00855 -0.04780 -0.01177 50 8PZ 0.02445 -0.07945 -0.02618 -0.10363 -0.06232 51 9PX -0.01390 -0.11856 0.01661 0.05712 0.11441 52 9PY 0.19370 0.14573 -0.02471 0.15815 0.04349 53 9PZ -0.07998 0.28005 0.09657 0.33842 0.20298 54 10PX 0.02672 0.15803 0.00797 -0.00183 -0.14736 55 10PY -0.20505 -0.17570 0.01826 -0.16263 -0.05751 56 10PZ 0.07610 -0.38678 -0.16094 -0.32483 -0.17121 57 11XX 0.00859 -0.08787 -0.00502 -0.09077 -0.03347 58 11YY 0.01202 -0.03834 -0.04282 0.00344 -0.04058 59 11ZZ -0.01001 0.01960 0.00416 0.01548 0.03990 60 11XY 0.01020 0.00601 -0.04264 0.03785 -0.10923 61 11XZ -0.00733 -0.02984 0.00875 -0.00784 0.02937 62 11YZ 0.05345 0.03505 -0.03172 0.02667 -0.00194 63 12XX 0.00650 -0.11368 -0.21133 0.13612 0.06068 64 12YY -0.01502 -0.35879 -0.03730 -0.31106 0.09161 65 12ZZ 0.09357 -0.63676 -0.26012 -0.38488 -0.30065 66 12XY -0.05340 -0.03068 0.20150 -0.18123 0.51871 67 12XZ 0.03405 0.13828 -0.04451 0.03140 -0.14317 68 12YZ -0.25273 -0.16463 0.15165 -0.12855 0.00943 69 4 Br 1S 0.00204 0.00279 0.00258 0.00111 0.00144 70 2S -0.01680 -0.02461 -0.02252 -0.01100 -0.01138 71 3S 0.02695 0.04227 0.03795 0.02067 0.01749 72 4S 0.02562 0.03254 0.03198 0.01157 0.01860 73 5S -0.39706 -0.63491 -0.52661 -0.31689 -0.27446 74 6S 0.89529 1.47830 1.19603 0.75975 0.63034 75 7PX -0.00897 0.02292 -0.00933 -0.02539 0.01202 76 7PY -0.01741 0.01947 0.00494 -0.02486 0.01248 77 7PZ -0.02957 0.00807 -0.01811 -0.00648 -0.01996 78 8PX 0.02872 -0.07410 0.02982 0.08150 -0.03872 79 8PY 0.05612 -0.06249 -0.01579 0.08009 -0.04009 80 8PZ 0.09503 -0.02589 0.05826 0.02094 0.06420 81 9PX -0.08370 0.26677 -0.08321 -0.25719 0.13159 82 9PY -0.19386 0.19515 0.04134 -0.27043 0.12602 83 9PZ -0.30933 0.08178 -0.19205 -0.07295 -0.20979 84 10PX 0.00074 -0.41466 -0.02965 0.15766 -0.16020 85 10PY 0.24496 -0.09246 0.04217 0.29484 -0.06628 86 10PZ 0.26644 -0.05271 0.17977 0.10048 0.17964 87 11XX -0.04628 0.02722 -0.01659 -0.03580 0.00014 88 11YY 0.01672 -0.09519 -0.01420 0.01629 -0.00915 89 11ZZ -0.00882 0.00705 -0.02443 -0.01085 -0.01546 90 11XY -0.01520 -0.04087 -0.02261 -0.00167 0.00313 91 11XZ -0.00275 -0.02085 -0.00943 -0.06938 -0.01271 92 11YZ 0.00760 -0.02712 -0.00421 -0.00206 -0.01889 93 12XX 0.00935 -0.47092 -0.21109 -0.00454 -0.13995 94 12YY -0.28853 0.09797 -0.22458 -0.26267 -0.09215 95 12ZZ -0.17647 -0.38900 -0.18673 -0.13170 -0.06966 96 12XY 0.06004 0.17907 0.09282 0.00282 -0.02023 97 12XZ 0.01347 0.09493 0.04363 0.32782 0.06143 98 12YZ -0.03636 0.12890 0.01970 0.00875 0.08805 99 5 Cl 1S 0.00103 0.00150 -0.00524 0.00055 0.00464 100 2S -0.00140 -0.00618 -0.00143 -0.00086 -0.00221 101 2PX -0.02307 0.00605 -0.03671 -0.04231 0.11309 102 2PY -0.00840 0.06833 0.02674 0.00752 -0.00020 103 2PZ -0.09449 -0.00386 -0.07255 0.09898 -0.06414 104 3S 0.02086 0.01816 -0.12703 0.01116 0.10286 105 3PX 0.09294 -0.02344 0.14900 0.16872 -0.44660 106 3PY 0.03371 -0.25797 -0.09648 -0.03054 0.00030 107 3PZ 0.37106 0.01002 0.28371 -0.40281 0.24320 108 4S -0.04502 0.01035 0.25914 -0.02615 -0.19914 109 4PX -0.10542 0.00630 -0.21200 -0.20442 0.55156 110 4PY -0.05325 0.19052 -0.00071 0.03919 0.02463 111 4PZ -0.44280 0.03265 -0.31466 0.56329 -0.24310 112 5XX -0.01168 0.01246 -0.02391 -0.00672 0.00589 113 5YY 0.00922 -0.01981 -0.02561 0.03385 0.02119 114 5ZZ 0.00635 0.00910 0.01428 -0.02588 -0.00058 115 5XY -0.03617 0.00727 -0.04600 -0.03384 0.03582 116 5XZ -0.00300 0.00046 -0.00266 0.02639 0.00919 117 5YZ -0.03528 0.02610 -0.01830 0.11902 0.06519 118 6 Cl 1S -0.00260 0.00995 0.00492 0.00386 -0.00323 119 2S 0.00401 0.00899 0.00845 -0.01864 -0.01092 120 2PX -0.00940 0.06129 0.00610 0.00743 0.00395 121 2PY -0.00929 -0.01060 0.00325 -0.02334 -0.00810 122 2PZ -0.01236 0.02318 0.00240 -0.05775 -0.02698 123 3S -0.05198 0.25309 0.13410 0.04592 -0.10221 124 3PX 0.03480 -0.26108 -0.02848 -0.02667 -0.00151 125 3PY 0.04356 0.04243 -0.01219 0.10499 0.03502 126 3PZ 0.05209 -0.05790 0.01401 0.21508 0.09736 127 4S 0.08990 -0.41375 -0.21695 -0.00924 0.21758 128 4PX 0.00438 0.48810 0.10202 0.03513 -0.06348 129 4PY -0.10034 -0.06763 0.02638 -0.19781 -0.05479 130 4PZ -0.08139 -0.11242 -0.14908 -0.12145 -0.03372 131 5XX -0.00142 0.08203 0.04511 -0.14321 -0.16071 132 5YY -0.01067 -0.12455 -0.07281 0.06641 0.06864 133 5ZZ 0.00481 0.13528 0.08384 0.06304 0.04741 134 5XY 0.00063 0.03123 0.06271 -0.02454 -0.01778 135 5XZ 0.00157 -0.08149 -0.01518 0.01507 0.05536 136 5YZ 0.03355 0.00312 0.01391 0.07644 0.01346 137 7 Cl 1S -0.00233 -0.01155 0.01229 -0.00016 0.00993 138 2S 0.00131 -0.00019 -0.00290 0.00350 0.00171 139 2PX 0.00427 -0.00672 0.15430 0.03152 -0.07210 140 2PY 0.02290 -0.05328 -0.07204 0.02734 0.04630 141 2PZ -0.13697 -0.01298 -0.00734 0.07607 -0.01582 142 3S -0.05074 -0.27475 0.28220 0.00720 0.24049 143 3PX -0.01499 0.01326 -0.61101 -0.12315 0.28285 144 3PY -0.08892 0.19456 0.29348 -0.10073 -0.17141 145 3PZ 0.54896 0.05056 0.02001 -0.30135 0.04705 146 4S 0.09282 0.50527 -0.53930 -0.02363 -0.50250 147 4PX 0.01320 0.09504 0.69672 0.13207 -0.35809 148 4PY 0.10885 -0.04176 -0.46818 0.04515 0.04000 149 4PZ -0.70007 -0.02395 0.03763 0.38042 0.03485 150 5XX -0.00012 -0.03275 -0.06281 -0.01498 0.00548 151 5YY -0.01299 -0.06151 0.13582 0.03650 0.08223 152 5ZZ -0.00036 0.02822 -0.00257 -0.02156 -0.02929 153 5XY 0.00665 -0.08043 -0.07425 -0.00448 0.01310 154 5XZ 0.05052 0.02114 -0.01770 0.02088 -0.02029 155 5YZ 0.13509 0.01795 -0.05267 -0.03972 -0.11255 156 8 Cl 1S 0.00533 -0.00309 -0.01774 0.00559 -0.00242 157 2S -0.00168 -0.00276 0.00013 -0.00134 0.00387 158 2PX -0.02352 0.02042 -0.10238 -0.06235 0.05608 159 2PY 0.01800 0.12592 -0.04999 -0.03888 -0.00038 160 2PZ 0.14025 -0.01813 0.00786 0.00846 0.05460 161 3S 0.12042 -0.08252 -0.41972 0.12831 -0.04518 162 3PX 0.09435 -0.09568 0.38669 0.24598 -0.21811 163 3PY -0.07381 -0.49299 0.21153 0.14834 -0.00248 164 3PZ -0.55885 0.05988 -0.02655 -0.04979 -0.21217 165 4S -0.22163 0.16462 0.81360 -0.25297 0.08662 166 4PX -0.14893 0.22666 -0.24346 -0.32472 0.23569 167 4PY 0.11940 0.52397 -0.43285 -0.11824 0.04535 168 4PZ 0.68937 0.02817 0.03604 0.16074 0.23859 169 5XX 0.01959 -0.10786 -0.02272 0.02690 -0.00294 170 5YY 0.03271 0.08476 -0.11053 0.03457 0.03227 171 5ZZ -0.02074 0.00502 0.02966 -0.02987 -0.04272 172 5XY -0.02528 0.03409 0.09496 -0.02121 0.00646 173 5XZ -0.09483 -0.03898 0.03182 -0.06349 0.02721 174 5YZ 0.08280 0.04138 -0.01752 0.10058 0.00730 121 122 123 124 125 V V V V V Eigenvalues -- 0.51681 0.52786 0.53903 0.54940 0.55833 1 1 Al 1S 0.00103 0.00546 0.00151 0.00234 0.00600 2 2S 0.03063 -0.03699 -0.01206 -0.03503 0.02359 3 2PX -0.02441 0.00372 -0.00183 -0.01153 0.01202 4 2PY -0.01015 0.00788 -0.00599 -0.01428 0.04988 5 2PZ -0.00698 -0.04282 -0.00311 -0.00941 -0.03354 6 3S 0.17049 0.07602 0.02258 -0.05501 0.37255 7 3PX -0.01973 -0.07918 -0.07895 -0.02099 -0.08742 8 3PY -0.09075 -0.02881 0.09765 -0.02510 0.01366 9 3PZ -0.00819 0.17029 0.00280 0.06668 0.22586 10 4S -0.70234 -0.34264 -0.25720 -0.02333 -1.07524 11 4PX -0.64415 -0.19865 -0.31479 -0.80151 0.26009 12 4PY 0.17564 0.21706 0.45037 -0.00787 1.03382 13 4PZ -0.19762 -0.24396 0.11163 -0.37851 -0.40392 14 5XX -0.26098 0.03805 0.09825 0.26929 -0.40405 15 5YY -0.27186 -0.02479 -0.09095 -0.11134 0.20073 16 5ZZ 0.55366 -0.13160 -0.07292 -0.21107 0.11650 17 5XY -0.16523 0.00487 -0.05267 0.07982 -0.04225 18 5XZ 0.18525 -0.12546 0.02071 0.13998 0.11560 19 5YZ 0.11597 -0.17691 -0.12404 -0.07661 -0.10230 20 2 Al 1S 0.00465 -0.00119 -0.00100 -0.00135 -0.00356 21 2S -0.02639 0.02579 0.01172 0.04303 -0.03440 22 2PX -0.02669 0.01767 -0.00128 -0.00402 0.01971 23 2PY 0.00797 -0.00154 0.00683 0.00247 0.00807 24 2PZ -0.01875 -0.01605 0.00967 0.02583 0.00038 25 3S 0.05413 0.06486 0.00127 0.12575 -0.29065 26 3PX 0.15448 0.00558 -0.01470 -0.01764 -0.09916 27 3PY -0.01188 -0.01499 0.04023 -0.03885 0.02831 28 3PZ 0.09504 -0.00336 -0.01021 -0.11358 0.06785 29 4S -0.17081 -0.22951 0.00084 -0.45174 0.83369 30 4PX -0.10744 0.13483 -0.00917 -0.27446 0.57189 31 4PY -0.14053 -0.13443 0.16984 -0.17700 0.06110 32 4PZ -0.04233 -0.45400 0.15864 0.78291 0.50912 33 5XX 0.18666 -0.36214 -0.05656 -0.03281 -0.03123 34 5YY -0.01203 -0.08063 0.02279 -0.06608 0.14254 35 5ZZ -0.18525 0.46165 0.07369 0.15136 -0.11461 36 5XY 0.07129 0.00088 0.13996 0.04046 0.04503 37 5XZ 0.03996 -0.05949 -0.08352 -0.01816 0.05960 38 5YZ -0.09117 0.09309 -0.11896 0.03831 0.01783 39 3 Br 1S -0.00088 0.00135 -0.00136 -0.00063 -0.00193 40 2S 0.00460 -0.00951 0.00946 0.00393 0.01585 41 3S -0.00312 0.01292 -0.01244 -0.00452 -0.02530 42 4S -0.01440 0.01811 -0.01907 -0.00862 -0.02488 43 5S -0.02067 -0.20696 0.17927 0.14213 0.25589 44 6S 0.14336 0.53568 -0.40289 -0.39229 -0.52456 45 7PX 0.00872 -0.01035 -0.01032 0.01109 -0.01938 46 7PY 0.00327 0.00716 -0.01763 0.01178 0.00661 47 7PZ -0.01202 0.01062 -0.00643 -0.00592 -0.02131 48 8PX -0.02819 0.03349 0.03344 -0.03528 0.06295 49 8PY -0.01063 -0.02309 0.05677 -0.03793 -0.02145 50 8PZ 0.03882 -0.03403 0.02073 0.01908 0.06889 51 9PX 0.09539 -0.11681 -0.12039 0.09067 -0.24348 52 9PY 0.03990 0.07931 -0.18454 0.12408 0.07995 53 9PZ -0.13307 0.10270 -0.06987 -0.06562 -0.23692 54 10PX -0.03874 0.08813 0.15849 0.06133 0.51503 55 10PY -0.05302 -0.10178 0.10772 -0.09641 -0.13286 56 10PZ 0.14688 -0.06685 0.08879 0.09698 0.26575 57 11XX 0.02925 0.08121 -0.00526 -0.02903 0.04070 58 11YY 0.01624 -0.02799 0.00794 0.00235 -0.00302 59 11ZZ -0.04261 -0.07012 0.01373 0.03196 -0.00186 60 11XY 0.06473 -0.01478 0.00409 -0.01250 0.00202 61 11XZ 0.02401 -0.02038 -0.01183 -0.03458 -0.02334 62 11YZ -0.00118 -0.01323 -0.00620 -0.01121 -0.00337 63 12XX -0.15063 -0.48221 0.11072 0.19641 -0.03552 64 12YY -0.09527 0.04774 0.04260 0.03660 0.16907 65 12ZZ 0.18196 0.23362 0.01694 -0.10437 0.17079 66 12XY -0.31533 0.06561 -0.02319 0.05849 -0.01990 67 12XZ -0.12514 0.10591 0.05870 0.16154 0.09808 68 12YZ 0.00504 0.06585 0.03916 0.05308 0.02435 69 4 Br 1S 0.00385 0.00308 0.00340 0.00301 0.00630 70 2S -0.03585 -0.02266 -0.02714 -0.02502 -0.04830 71 3S 0.06406 0.03240 0.04267 0.04076 0.07224 72 4S 0.04419 0.04052 0.04202 0.03693 0.08225 73 5S -0.92449 -0.48315 -0.66345 -0.58981 -1.06802 74 6S 2.17213 1.05880 1.53053 1.35212 2.38414 75 7PX 0.00448 0.02780 -0.00043 0.00282 0.01760 76 7PY 0.02575 -0.00592 -0.02627 -0.00416 -0.02510 77 7PZ -0.00471 -0.04140 -0.02146 -0.01442 -0.02567 78 8PX -0.01464 -0.08968 0.00113 -0.00919 -0.05711 79 8PY -0.08252 0.01924 0.08483 0.01367 0.08120 80 8PZ 0.01520 0.13340 0.06906 0.04650 0.08278 81 9PX 0.06434 0.30731 0.01217 0.03774 0.21330 82 9PY 0.24789 -0.07398 -0.29466 -0.06047 -0.29202 83 9PZ -0.05269 -0.44770 -0.22563 -0.15770 -0.27868 84 10PX -0.17157 -0.35837 -0.13375 -0.06704 -0.41676 85 10PY -0.03665 0.14719 0.38235 0.18645 0.40147 86 10PZ 0.06976 0.45329 0.18448 0.18380 0.29381 87 11XX -0.06872 -0.00585 -0.03159 -0.04256 0.03653 88 11YY -0.01502 0.00135 -0.00515 0.04660 -0.10725 89 11ZZ -0.01003 -0.03919 -0.02251 -0.06166 -0.02887 90 11XY -0.04375 0.00012 0.00496 0.01054 -0.03376 91 11XZ -0.00438 -0.03168 0.00629 -0.02847 -0.01263 92 11YZ 0.01844 0.00251 0.02263 0.01159 0.03760 93 12XX -0.20253 -0.21310 -0.18805 -0.11761 -0.72373 94 12YY -0.44289 -0.24535 -0.32505 -0.54091 -0.02939 95 12ZZ -0.48808 -0.05656 -0.24082 -0.02926 -0.41218 96 12XY 0.19298 -0.00312 -0.02888 -0.05271 0.15365 97 12XZ 0.02005 0.15088 -0.02426 0.13769 0.06517 98 12YZ -0.08758 -0.01267 -0.11260 -0.05719 -0.18395 99 5 Cl 1S -0.02133 -0.00416 0.00227 -0.01554 0.02758 100 2S -0.00210 0.00215 -0.00129 0.00678 -0.00962 101 2PX 0.10120 0.03659 0.00152 0.09270 0.01509 102 2PY -0.00289 -0.04051 -0.01626 -0.07270 0.04863 103 2PZ 0.03434 0.05241 -0.11825 0.07409 0.06442 104 3S -0.51106 -0.09152 0.04994 -0.34921 0.62911 105 3PX -0.40641 -0.14690 -0.01083 -0.36809 -0.07817 106 3PY 0.04043 0.16423 0.07015 0.29656 -0.20024 107 3PZ -0.13384 -0.21621 0.46803 -0.30031 -0.25971 108 4S 1.00965 0.14300 -0.15994 0.62557 -1.21071 109 4PX 0.51842 0.20417 0.08349 0.48664 0.22694 110 4PY -0.40880 -0.23701 -0.12442 -0.46407 0.36855 111 4PZ 0.18145 0.31980 -0.55815 0.42276 0.34113 112 5XX 0.02465 0.01667 0.04096 0.00544 0.07110 113 5YY -0.21200 -0.02880 -0.02898 -0.06306 0.06837 114 5ZZ 0.05822 -0.01379 0.00150 -0.02967 0.01203 115 5XY 0.03785 0.01135 -0.00088 -0.03217 0.16525 116 5XZ -0.00665 0.01396 -0.02738 0.02548 0.01818 117 5YZ -0.00898 0.07285 -0.00813 0.04226 0.02077 118 6 Cl 1S 0.00678 0.01252 -0.00450 -0.00454 -0.01433 119 2S 0.00652 -0.01301 0.00536 0.00929 -0.00325 120 2PX -0.02758 0.01365 0.00281 -0.02157 0.04558 121 2PY -0.02133 -0.00348 -0.19090 0.02750 0.00755 122 2PZ -0.02158 -0.05343 0.00999 0.00284 0.01480 123 3S 0.17453 0.26524 -0.09444 -0.08652 -0.34727 124 3PX 0.13399 -0.08398 -0.02460 0.08723 -0.17612 125 3PY 0.09708 0.01069 0.78555 -0.10625 -0.02145 126 3PZ 0.09549 0.19616 -0.03394 0.00641 -0.08253 127 4S -0.37068 -0.47648 0.16763 0.12634 0.65490 128 4PX -0.28857 0.30334 0.12468 -0.23871 0.21463 129 4PY -0.19344 0.00725 -1.10238 0.07751 -0.08449 130 4PZ -0.20338 -0.14111 -0.00377 -0.13309 0.25971 131 5XX 0.10667 0.08614 -0.03553 -0.08929 -0.04881 132 5YY -0.03845 0.04657 0.00755 -0.02780 0.10462 133 5ZZ -0.00786 -0.08203 0.01224 0.11094 -0.15467 134 5XY 0.06315 0.04772 0.00752 0.03436 0.00110 135 5XZ 0.09243 -0.10448 -0.07456 -0.02152 0.00695 136 5YZ 0.06400 -0.00331 0.19311 0.01788 0.02348 137 7 Cl 1S 0.00137 -0.00239 -0.00338 0.00663 -0.00433 138 2S 0.00220 -0.00270 0.00350 -0.00516 0.01052 139 2PX 0.02834 -0.02426 -0.03492 -0.00462 0.01777 140 2PY 0.03499 -0.01723 0.02807 -0.03435 0.04557 141 2PZ 0.04388 0.07295 0.06926 -0.14333 -0.05982 142 3S 0.03924 -0.06471 -0.06978 0.14243 -0.07360 143 3PX -0.11188 0.09856 0.13615 0.01543 -0.06656 144 3PY -0.13378 0.06019 -0.10650 0.13841 -0.17861 145 3PZ -0.16745 -0.29709 -0.26793 0.57714 0.24459 146 4S -0.11004 0.13565 0.14992 -0.23831 0.01434 147 4PX 0.12659 -0.13325 -0.14019 0.01074 0.00493 148 4PY 0.11967 0.01654 0.09169 -0.17902 0.14553 149 4PZ 0.16684 0.43721 0.26331 -0.79272 -0.37465 150 5XX 0.00210 -0.00780 -0.03580 -0.01159 -0.01875 151 5YY 0.01799 -0.05478 0.02329 0.03162 0.01389 152 5ZZ -0.01036 0.04678 -0.00553 0.01585 -0.01074 153 5XY -0.01516 0.03163 0.00407 -0.01042 0.00990 154 5XZ 0.01141 -0.01888 -0.02350 0.01371 0.00230 155 5YZ 0.03474 -0.05790 0.03480 0.05167 0.04032 156 8 Cl 1S -0.00280 -0.01004 0.00492 0.00024 -0.00055 157 2S -0.00012 -0.00341 -0.00624 -0.00636 0.00280 158 2PX 0.01992 -0.00407 -0.00439 -0.01618 -0.03720 159 2PY 0.00934 0.04888 0.04282 0.03107 -0.04689 160 2PZ -0.00237 0.10028 -0.10110 -0.11778 -0.04573 161 3S -0.06566 -0.24801 0.09821 -0.01214 -0.00589 162 3PX -0.08314 0.01291 0.01748 0.05886 0.15521 163 3PY -0.03763 -0.17949 -0.16389 -0.12268 0.19077 164 3PZ 0.00601 -0.40028 0.40088 0.47674 0.18977 165 4S 0.15630 0.53425 -0.16990 0.12625 -0.01431 166 4PX 0.14355 0.06931 -0.01929 0.01547 -0.27598 167 4PY 0.03371 0.05674 0.13522 0.11514 -0.25247 168 4PZ 0.01437 0.54297 -0.48660 -0.67616 -0.31762 169 5XX -0.02727 -0.00329 0.02128 -0.02693 0.06387 170 5YY 0.02599 -0.09481 -0.01160 0.00437 -0.04702 171 5ZZ -0.01878 0.03639 0.01672 0.01789 -0.01622 172 5XY 0.02395 0.03831 0.03072 0.01559 0.00320 173 5XZ -0.01871 -0.01306 0.01516 0.03047 0.02960 174 5YZ 0.00802 0.03240 -0.01094 -0.04716 -0.03974 126 127 128 129 130 V V V V V Eigenvalues -- 0.56339 0.57680 0.59885 0.60278 0.62208 1 1 Al 1S 0.00644 0.00221 0.00425 0.00121 0.00185 2 2S -0.00968 0.00503 0.03308 0.02966 -0.01653 3 2PX -0.01001 -0.00041 0.01440 0.01045 -0.00995 4 2PY 0.02172 0.00083 -0.01153 0.00989 0.02433 5 2PZ 0.01084 0.01599 -0.00058 0.00690 0.00555 6 3S 0.26910 0.12739 0.33080 0.11871 0.03158 7 3PX 0.00068 -0.01992 -0.11477 -0.02214 -0.16275 8 3PY -0.05975 -0.00846 0.01000 -0.10034 0.02846 9 3PZ 0.00002 0.06101 0.03711 -0.15067 -0.10194 10 4S -1.22345 -0.69690 -1.39214 -0.03733 -0.21179 11 4PX -0.59303 0.22617 0.27583 0.39480 -0.22165 12 4PY 0.70465 0.05443 0.19854 -0.29552 -0.81496 13 4PZ 0.58069 0.54444 0.28822 -0.27180 0.00115 14 5XX -0.06936 -0.01635 0.03033 0.06828 0.02227 15 5YY 0.08014 -0.00023 -0.18207 -0.05175 -0.18921 16 5ZZ -0.20436 -0.04163 0.09309 0.16719 0.05319 17 5XY 0.03572 -0.02447 -0.07797 0.11436 -0.35812 18 5XZ -0.25072 0.00998 0.05031 -0.03919 -0.10661 19 5YZ 0.06279 0.16332 0.06798 -0.06967 0.06086 20 2 Al 1S -0.00400 -0.00061 -0.00132 0.00245 -0.00002 21 2S 0.01111 -0.01484 -0.03565 -0.04432 0.00498 22 2PX 0.01041 0.00437 0.01036 0.00745 -0.00280 23 2PY 0.01707 0.00323 -0.01235 0.00938 -0.03580 24 2PZ 0.00713 -0.00738 0.00730 0.00395 0.00276 25 3S -0.12383 -0.10579 -0.20308 -0.06056 -0.00617 26 3PX -0.08426 0.05360 0.11407 0.18793 0.03636 27 3PY 0.00146 0.01972 0.01585 0.02586 0.00826 28 3PZ -0.02350 -0.18255 -0.04163 -0.00030 -0.02270 29 4S 0.25457 0.59840 0.37607 -0.23456 0.11218 30 4PX 0.37794 0.55727 1.53753 1.14789 -0.11973 31 4PY 0.04139 0.24711 -0.02829 0.56910 0.63788 32 4PZ -0.31439 -0.32986 -0.03761 0.53524 0.22175 33 5XX 0.00529 -0.03613 -0.06779 0.00949 0.19790 34 5YY -0.04073 -0.02283 -0.03324 -0.17208 -0.15647 35 5ZZ 0.09282 0.10415 0.05656 0.01941 0.03338 36 5XY -0.06478 -0.03604 0.21397 -0.14972 -0.30103 37 5XZ -0.05897 0.23369 -0.07670 0.07092 0.04840 38 5YZ -0.07113 0.01191 0.11438 -0.06900 0.04375 39 3 Br 1S 0.00024 -0.00082 -0.00080 -0.00037 -0.00026 40 2S -0.00210 0.00601 0.00530 0.00357 0.00286 41 3S 0.00329 -0.00857 -0.00691 -0.00708 -0.00606 42 4S 0.00411 -0.01070 -0.00997 -0.00194 -0.00118 43 5S 0.05910 0.22880 0.24157 0.34861 0.24218 44 6S -0.22381 -0.54868 -0.63451 -0.93415 -0.63296 45 7PX -0.00930 0.07229 -0.01658 -0.02708 -0.00053 46 7PY -0.01504 0.00026 0.04723 -0.04488 0.00512 47 7PZ -0.00831 0.01258 -0.01452 0.00870 0.00849 48 8PX 0.02997 -0.23362 0.05359 0.08764 0.00186 49 8PY 0.04840 -0.00092 -0.15284 0.14538 -0.01657 50 8PZ 0.02691 -0.04052 0.04710 -0.02789 -0.02731 51 9PX -0.09699 0.80628 -0.18692 -0.31003 -0.01447 52 9PY -0.15407 0.00672 0.53775 -0.52031 0.05717 53 9PZ -0.09819 0.13009 -0.17553 0.07816 0.08306 54 10PX 0.05865 -0.85386 0.25294 0.43371 0.07530 55 10PY 0.05714 -0.02721 -0.55302 0.62988 -0.04105 56 10PZ 0.14763 -0.06776 0.30137 0.07095 0.00244 57 11XX -0.04503 0.00453 -0.01508 0.00359 0.01814 58 11YY 0.01709 0.01744 0.00252 0.01041 -0.00277 59 11ZZ 0.02270 -0.01059 0.02087 -0.00454 -0.00687 60 11XY 0.02581 0.01251 0.00171 -0.01360 -0.02421 61 11XZ -0.01971 0.00928 0.01239 -0.00316 -0.00396 62 11YZ 0.00937 0.00240 -0.05138 0.04582 -0.01253 63 12XX 0.23731 0.07548 0.17763 0.12905 0.01486 64 12YY -0.07480 0.01806 0.08215 0.10423 0.12995 65 12ZZ -0.10447 0.14308 -0.01939 0.15496 0.13345 66 12XY -0.13146 -0.06295 -0.01065 0.07150 0.12413 67 12XZ 0.10268 -0.05945 -0.06380 0.01505 0.01698 68 12YZ -0.03486 -0.01342 0.24903 -0.22961 0.06032 69 4 Br 1S 0.00748 0.00068 0.00007 -0.00365 0.00534 70 2S -0.06120 -0.00545 -0.00427 0.02826 -0.03220 71 3S 0.09810 0.00853 0.01312 -0.04298 0.03300 72 4S 0.09326 0.00860 -0.00462 -0.04666 0.08121 73 5S -1.42860 -0.13266 -0.31691 0.61396 -0.22999 74 6S 3.26244 0.30992 0.87728 -1.35113 0.11826 75 7PX 0.01347 0.00642 -0.02436 -0.00130 0.01956 76 7PY -0.01430 -0.00234 -0.01362 0.02865 -0.06733 77 7PZ 0.04664 -0.01963 0.03770 -0.01873 0.00036 78 8PX -0.04382 -0.02076 0.07842 0.00444 -0.06314 79 8PY 0.04663 0.00758 0.04407 -0.09277 0.21776 80 8PZ -0.15053 0.06324 -0.12181 0.06058 -0.00110 81 9PX 0.16982 0.07354 -0.25473 -0.02619 0.20787 82 9PY -0.18792 -0.02783 -0.15824 0.32963 -0.75751 83 9PZ 0.51534 -0.20936 0.42384 -0.21392 -0.00156 84 10PX -0.34557 -0.10974 0.14396 0.10148 -0.10498 85 10PY 0.40585 0.04612 0.24489 -0.41564 0.81943 86 10PZ -0.58903 0.14321 -0.48706 0.27199 0.02592 87 11XX -0.01199 0.00029 -0.00135 0.00878 -0.01514 88 11YY -0.03953 -0.00312 -0.00575 0.03286 -0.03707 89 11ZZ -0.08657 -0.00902 -0.01336 0.01742 0.01305 90 11XY -0.01905 0.00235 0.00397 -0.00389 0.00807 91 11XZ 0.01614 0.06813 -0.01589 -0.00571 0.00442 92 11YZ -0.01905 0.00438 0.01885 -0.02193 -0.02259 93 12XX -0.71503 -0.07015 -0.16097 0.28125 -0.03040 94 12YY -0.57171 -0.05422 -0.14776 0.16703 0.08843 95 12ZZ -0.35651 -0.02462 -0.11123 0.23913 -0.14833 96 12XY 0.08686 -0.01106 -0.02695 0.01562 -0.02303 97 12XZ -0.07634 -0.32237 0.08037 0.02304 -0.02736 98 12YZ 0.09000 -0.02450 -0.09562 0.11087 0.11543 99 5 Cl 1S -0.00165 -0.00426 -0.00872 0.00366 -0.01417 100 2S 0.00040 -0.00121 -0.00686 -0.00372 -0.01973 101 2PX 0.12616 -0.00105 -0.02953 0.02623 -0.00390 102 2PY -0.06542 -0.00602 0.02495 0.01406 0.09126 103 2PZ -0.05793 -0.01049 -0.00328 -0.01859 -0.01074 104 3S -0.03572 -0.10421 -0.22668 0.07705 -0.39101 105 3PX -0.51570 0.00374 0.11896 -0.09651 0.00846 106 3PY 0.26621 0.02815 -0.08606 -0.06377 -0.34300 107 3PZ 0.24000 0.05508 0.01931 0.06533 0.03991 108 4S 0.08084 0.25654 0.54297 -0.05331 1.10527 109 4PX 0.75054 -0.02449 -0.18222 0.03953 -0.01103 110 4PY -0.38503 -0.10021 -0.09213 0.11550 0.09612 111 4PZ -0.39067 -0.18787 -0.07668 0.00296 -0.00885 112 5XX 0.05108 0.01136 0.03248 -0.03925 0.11716 113 5YY -0.04053 -0.04203 -0.10513 0.06769 -0.21526 114 5ZZ -0.02636 0.00294 0.01417 -0.01090 -0.01121 115 5XY 0.09187 0.00858 -0.02067 -0.06326 0.06963 116 5XZ -0.03259 0.00474 0.01110 -0.01189 -0.03402 117 5YZ -0.05521 -0.10624 -0.04934 0.08563 0.04071 118 6 Cl 1S -0.01169 0.00497 0.00069 0.01389 0.00868 119 2S -0.00255 -0.00537 0.01155 0.00285 -0.00422 120 2PX -0.00752 0.19512 0.04396 -0.01987 -0.04940 121 2PY 0.03649 0.01122 -0.00203 0.00389 -0.01361 122 2PZ -0.01008 -0.04331 -0.00679 -0.05445 -0.04697 123 3S -0.28356 0.10527 0.04331 0.33803 0.19788 124 3PX -0.00443 -0.80378 -0.18850 0.10267 0.20260 125 3PY -0.15449 -0.05060 0.00959 -0.01406 0.05315 126 3PZ 0.03085 0.17441 0.04256 0.23911 0.19664 127 4S 0.50917 -0.17418 -0.24254 -0.72144 -0.35092 128 4PX 0.37437 1.24468 0.42963 -0.32569 -0.28343 129 4PY 0.20435 0.11423 0.03125 -0.00860 -0.05827 130 4PZ 0.02197 -0.24061 -0.21884 -0.50308 -0.33076 131 5XX -0.11683 0.01401 -0.04224 0.01884 0.02738 132 5YY 0.04852 -0.00738 -0.01689 -0.06851 -0.03866 133 5ZZ -0.01086 0.01349 0.08865 0.14049 0.05387 134 5XY -0.06209 -0.04695 0.03798 -0.00620 -0.04401 135 5XZ -0.11142 -0.04004 -0.03225 0.08992 -0.00878 136 5YZ -0.07892 -0.01615 0.06815 -0.03293 -0.02119 137 7 Cl 1S -0.00533 -0.00688 -0.01052 -0.03255 0.00379 138 2S 0.00145 0.00154 0.00284 -0.00188 -0.02291 139 2PX 0.02307 -0.01448 -0.12959 -0.03189 -0.01868 140 2PY -0.00844 0.00627 0.05157 0.01863 -0.12131 141 2PZ 0.05514 -0.00723 -0.02652 -0.02481 -0.02551 142 3S -0.12320 -0.15955 -0.24176 -0.78040 0.02901 143 3PX -0.08927 0.06317 0.53196 0.13828 0.07480 144 3PY 0.02831 -0.03072 -0.21646 -0.10402 0.47897 145 3PZ -0.22003 0.02197 0.10195 0.10979 0.10308 146 4S 0.21531 0.31253 0.48979 1.66923 0.28579 147 4PX 0.07522 -0.13617 -0.83282 -0.25274 -0.03211 148 4PY 0.02658 0.10418 0.37572 0.50363 -0.41397 149 4PZ 0.29276 0.04985 -0.09649 -0.24114 -0.15118 150 5XX -0.00199 0.01091 0.01571 0.07851 0.08145 151 5YY -0.03888 -0.06019 -0.07067 -0.25317 -0.08974 152 5ZZ 0.01252 0.01068 -0.00818 -0.02077 0.00204 153 5XY -0.00984 0.02153 0.05916 0.02903 -0.00389 154 5XZ 0.00129 0.04680 -0.00332 0.01710 0.00132 155 5YZ 0.00167 -0.07082 -0.04162 0.07155 -0.00970 156 8 Cl 1S 0.00414 -0.00002 -0.03057 -0.02150 0.00339 157 2S -0.00286 0.00242 -0.00232 0.00642 0.01943 158 2PX -0.09354 -0.02417 -0.03366 -0.04013 0.04124 159 2PY -0.04074 -0.03428 -0.01592 -0.10682 -0.09147 160 2PZ 0.04374 -0.04084 0.03045 -0.05446 -0.00640 161 3S 0.09037 0.00601 -0.73469 -0.49341 0.13284 162 3PX 0.37669 0.10239 0.13134 0.16426 -0.15900 163 3PY 0.16162 0.13993 0.09344 0.44719 0.35654 164 3PZ -0.18104 0.15298 -0.12155 0.22066 0.03217 165 4S -0.11974 -0.05735 1.56757 0.97269 -0.55632 166 4PX -0.51313 -0.21361 -0.08831 -0.25094 0.04114 167 4PY -0.19001 -0.19692 -0.48049 -0.77725 -0.29164 168 4PZ 0.27849 -0.09025 0.17189 -0.31989 -0.10811 169 5XX 0.04104 0.02827 0.00734 0.02617 -0.05255 170 5YY -0.00328 -0.02043 -0.19052 -0.13080 0.08304 171 5ZZ -0.01689 -0.00479 0.00013 -0.01963 0.01508 172 5XY -0.02879 -0.01316 0.13056 0.02786 -0.08132 173 5XZ -0.03918 0.00651 0.01409 0.00387 0.02878 174 5YZ 0.03349 0.10654 0.00142 0.00420 -0.03950 131 132 133 134 135 V V V V V Eigenvalues -- 0.63195 0.64357 0.64614 0.65524 0.67488 1 1 Al 1S -0.00254 0.00364 -0.01400 0.00466 -0.00424 2 2S 0.03699 0.01931 -0.03609 -0.00409 -0.00493 3 2PX -0.01346 -0.02728 -0.00845 0.01015 -0.00157 4 2PY -0.00370 0.00057 0.01149 -0.00519 -0.03750 5 2PZ -0.00505 0.00043 0.00661 -0.01753 0.00937 6 3S 0.11396 0.23928 -0.81435 0.13269 -0.20943 7 3PX 0.23482 -0.09341 0.06504 -0.17693 0.06942 8 3PY -0.00085 0.06198 0.20914 0.02268 0.11234 9 3PZ 0.17395 -0.02624 -0.02500 0.11184 -0.06662 10 4S -1.01393 -0.94503 2.38315 -0.20041 0.59300 11 4PX 0.41213 1.27972 -1.25982 0.31304 -0.20184 12 4PY -0.27015 0.05780 -0.67261 0.86809 0.04448 13 4PZ -0.36421 -0.05066 -0.06193 0.21460 -0.03141 14 5XX -0.05674 -0.14433 0.44193 0.05621 -0.03806 15 5YY -0.11839 0.09562 -0.14623 0.13725 0.06900 16 5ZZ 0.03410 0.03210 -0.02839 -0.09734 0.03655 17 5XY 0.01907 -0.13876 -0.04032 0.12100 0.06688 18 5XZ 0.22623 0.12671 0.33670 0.25716 -0.05904 19 5YZ -0.05293 -0.04071 -0.04159 -0.22286 0.06602 20 2 Al 1S -0.00571 -0.00617 0.00976 -0.00074 0.00313 21 2S 0.01707 -0.02518 0.02486 -0.03433 0.01338 22 2PX 0.00567 -0.03281 -0.00738 0.00711 -0.00516 23 2PY -0.01743 0.02033 0.02279 -0.03437 -0.01292 24 2PZ 0.00108 0.00155 0.00079 0.01469 -0.00837 25 3S -0.11300 -0.41316 0.54309 -0.25142 0.22445 26 3PX -0.21199 -0.04029 0.16134 0.13994 -0.04161 27 3PY -0.08333 0.04385 0.10921 -0.01570 0.24888 28 3PZ 0.10063 -0.03185 0.00028 -0.11094 0.04793 29 4S -0.18563 1.54073 -1.95938 1.20778 -0.76692 30 4PX 0.44518 1.28472 -1.11835 0.34799 -0.66074 31 4PY 0.29461 0.47610 0.22854 0.14250 1.73605 32 4PZ -0.53311 -0.07508 -0.53998 -0.32417 0.02242 33 5XX 0.12116 0.24964 -0.15137 0.22993 -0.00178 34 5YY -0.26265 -0.09684 0.02403 0.05586 -0.13156 35 5ZZ 0.02409 -0.00796 -0.00935 -0.08322 0.01243 36 5XY -0.15332 0.23490 -0.00566 -0.26985 -0.11688 37 5XZ -0.12803 -0.08218 -0.13458 -0.08036 0.04687 38 5YZ -0.07103 0.03512 0.02679 -0.09408 0.13272 39 3 Br 1S 0.00379 -0.00130 -0.00217 -0.00558 0.00163 40 2S -0.03071 0.00850 0.01170 0.03723 -0.01023 41 3S 0.04914 -0.00996 -0.00865 -0.04553 0.01121 42 4S 0.04664 -0.01982 -0.03640 -0.08326 0.02525 43 5S -0.97834 0.11240 -0.03562 0.49304 -0.10515 44 6S 2.27483 -0.22799 0.21459 -0.87848 0.15874 45 7PX 0.01596 0.03734 0.00880 0.00286 -0.00868 46 7PY -0.00623 -0.00659 -0.01397 0.02146 0.05330 47 7PZ -0.02351 -0.00307 -0.02211 -0.02407 0.00628 48 8PX -0.05165 -0.12073 -0.02880 -0.00935 0.02829 49 8PY 0.02032 0.02135 0.04508 -0.06957 -0.17339 50 8PZ 0.07573 0.00989 0.07142 0.07795 -0.02030 51 9PX 0.17967 0.40926 0.12433 0.03692 -0.10949 52 9PY -0.07963 -0.07655 -0.14832 0.25183 0.65728 53 9PZ -0.23873 -0.03233 -0.24052 -0.27290 0.06863 54 10PX -0.15632 -0.24929 -0.44912 -0.03419 0.14922 55 10PY 0.12397 0.12338 0.06105 -0.35880 -1.01593 56 10PZ 0.07243 0.05929 0.24799 0.34146 -0.07280 57 11XX -0.05174 -0.00020 -0.02039 0.01241 0.01152 58 11YY -0.03241 0.00868 0.00812 0.02724 -0.02118 59 11ZZ 0.01601 0.00436 0.02118 0.01969 -0.00435 60 11XY -0.02268 -0.01422 -0.03203 -0.00911 -0.01856 61 11XZ -0.00700 -0.00179 0.04047 -0.00745 0.02604 62 11YZ 0.02763 -0.00687 0.00068 0.01326 -0.04199 63 12XX -0.20690 0.05205 0.07163 0.17363 -0.10897 64 12YY -0.32949 0.00320 -0.08438 0.08686 0.07435 65 12ZZ -0.54840 0.02364 -0.14599 0.13000 -0.02157 66 12XY 0.12355 0.07511 0.17153 0.03886 0.10744 67 12XZ 0.02835 -0.01596 -0.18886 0.03507 -0.13959 68 12YZ -0.14037 0.03046 0.00447 -0.05931 0.23236 69 4 Br 1S -0.00270 0.00265 0.00168 0.00262 -0.00355 70 2S 0.01690 -0.01361 -0.00616 -0.01816 0.02196 71 3S -0.01856 0.00844 -0.00253 0.02383 -0.02336 72 4S -0.04073 0.04434 0.03098 0.03697 -0.05498 73 5S 0.17637 0.05726 0.22067 -0.40265 0.20999 74 6S -0.26439 -0.42282 -0.77028 0.90800 -0.26598 75 7PX -0.01580 0.06467 -0.00291 0.02857 -0.01013 76 7PY 0.00863 0.00101 -0.03378 0.02238 0.02900 77 7PZ -0.02985 0.00556 0.00504 0.02237 -0.00125 78 8PX 0.05099 -0.20923 0.00962 -0.09256 0.03277 79 8PY -0.02793 -0.00341 0.10921 -0.07247 -0.09385 80 8PZ 0.09647 -0.01803 -0.01643 -0.07269 0.00412 81 9PX -0.16939 0.73296 -0.04895 0.33482 -0.11134 82 9PY 0.09637 0.02462 -0.37485 0.25647 0.32784 83 9PZ -0.33373 0.06607 0.06529 0.27432 -0.01953 84 10PX 0.13425 -0.82366 0.23837 -0.49187 0.09362 85 10PY -0.10056 -0.14641 0.38061 -0.27859 -0.34443 86 10PZ 0.37767 -0.07408 -0.08975 -0.39054 0.04312 87 11XX 0.00498 -0.02492 -0.03551 -0.01902 -0.00091 88 11YY 0.01568 0.01853 0.01481 0.01221 0.00752 89 11ZZ 0.00231 -0.00073 0.02881 -0.02455 0.02225 90 11XY -0.00024 0.02381 0.01790 0.00057 -0.00762 91 11XZ 0.01153 -0.01570 -0.01748 -0.04059 0.00584 92 11YZ 0.02207 0.01352 0.03442 0.05619 -0.01343 93 12XX 0.05810 0.17934 0.30870 -0.07916 0.09246 94 12YY -0.00621 -0.04529 0.06281 -0.24333 0.04850 95 12ZZ 0.06064 0.06267 -0.00021 -0.05986 -0.03126 96 12XY -0.00415 -0.10928 -0.08089 -0.00781 0.02903 97 12XZ -0.05200 0.07845 0.09108 0.21291 -0.03270 98 12YZ -0.11078 -0.06802 -0.17455 -0.28999 0.06966 99 5 Cl 1S -0.00933 0.00190 0.01575 0.01195 0.00005 100 2S -0.00895 0.00259 -0.01403 0.01557 0.01244 101 2PX 0.01819 -0.07513 0.08882 -0.02422 0.01641 102 2PY 0.02563 -0.00636 0.09091 -0.06366 -0.05786 103 2PZ 0.03722 0.00004 0.00368 -0.02171 0.01086 104 3S -0.24612 0.05199 0.33913 0.32685 0.03281 105 3PX -0.06059 0.30872 -0.36797 0.09460 -0.06946 106 3PY -0.09484 0.02041 -0.37166 0.24358 0.22862 107 3PZ -0.15734 -0.00106 -0.01674 0.08956 -0.04242 108 4S 0.65846 -0.12769 -0.49757 -0.93535 -0.25437 109 4PX -0.06500 -0.48990 0.59241 -0.05387 0.15058 110 4PY -0.01389 0.04245 0.48981 -0.09329 -0.16827 111 4PZ 0.26695 0.00928 0.04003 -0.15861 0.04235 112 5XX -0.03872 0.03106 0.05775 0.01159 0.00005 113 5YY -0.01974 0.02949 0.00991 0.11035 0.04574 114 5ZZ -0.01057 -0.04480 0.00715 -0.03023 -0.02525 115 5XY -0.08751 0.01682 0.01409 0.02831 0.00329 116 5XZ 0.06949 0.01587 0.05700 0.05692 -0.01759 117 5YZ 0.03264 -0.00015 -0.00314 -0.01414 -0.02292 118 6 Cl 1S -0.02855 0.00963 0.01065 0.01936 -0.00488 119 2S 0.02422 0.01087 0.02421 0.00894 -0.00464 120 2PX 0.00687 -0.10056 0.03229 0.04806 -0.00813 121 2PY -0.01471 0.02654 0.06396 -0.03533 -0.06682 122 2PZ 0.14733 0.00939 0.04745 -0.00757 -0.00095 123 3S -0.62644 0.25768 0.31368 0.48662 -0.12874 124 3PX -0.03056 0.40451 -0.12026 -0.21545 0.03953 125 3PY 0.05643 -0.10532 -0.25022 0.15542 0.29689 126 3PZ -0.61653 -0.02322 -0.16938 0.05823 -0.00501 127 4S 0.84931 -0.63546 -0.91926 -0.99601 0.30971 128 4PX 0.11557 -0.32322 -0.09623 0.53240 -0.13331 129 4PY -0.02277 0.15365 0.20168 -0.29138 -0.67715 130 4PZ 0.94734 -0.10915 -0.00056 -0.29524 0.09011 131 5XX 0.00379 0.05670 0.07074 -0.03000 0.06623 132 5YY 0.05138 -0.06433 -0.09333 -0.05277 -0.01713 133 5ZZ -0.17427 0.08508 0.13435 0.21343 -0.08599 134 5XY -0.02126 0.03915 0.06546 0.18814 -0.17552 135 5XZ 0.00405 -0.04191 0.06882 -0.06430 0.01236 136 5YZ -0.04720 0.06173 0.14064 0.09637 0.18544 137 7 Cl 1S 0.00173 -0.00708 -0.02618 0.01354 -0.03440 138 2S -0.02404 0.00410 0.00708 -0.00796 -0.01823 139 2PX -0.07894 -0.07683 0.07857 0.01491 0.03351 140 2PY -0.10185 0.02892 0.06236 -0.07181 -0.04868 141 2PZ 0.06421 0.00003 0.02990 0.02393 -0.01984 142 3S -0.02239 -0.15875 -0.60769 0.30309 -0.87287 143 3PX 0.31662 0.31191 -0.32979 -0.04889 -0.15977 144 3PY 0.39665 -0.11673 -0.26262 0.29329 0.17723 145 3PZ -0.26316 -0.00271 -0.12928 -0.09816 0.07442 146 4S 0.37165 0.30684 1.20685 -0.52817 2.20526 147 4PX -0.35902 -0.47695 0.58433 -0.02824 0.51335 148 4PY -0.27781 0.16241 0.46915 -0.38635 0.12980 149 4PZ 0.38969 0.02455 0.25243 0.16310 -0.07091 150 5XX 0.04712 -0.06613 -0.02533 0.10706 -0.09717 151 5YY -0.08428 0.01159 -0.07363 -0.03939 -0.13096 152 5ZZ 0.01478 0.01964 -0.04387 0.00115 0.00348 153 5XY -0.03281 -0.06230 -0.06245 0.09412 -0.18589 154 5XZ -0.03262 -0.01664 -0.02119 0.01593 -0.03225 155 5YZ -0.00011 -0.02243 -0.06140 0.00749 -0.08991 156 8 Cl 1S -0.00654 0.01854 0.00792 -0.00804 0.02913 157 2S 0.00183 -0.01837 -0.00664 0.03038 0.00740 158 2PX -0.04556 -0.14583 0.01507 0.07925 -0.02382 159 2PY -0.05270 0.03524 0.03329 -0.11258 -0.03706 160 2PZ 0.04772 0.00372 0.04017 0.02064 0.01082 161 3S -0.15053 0.39483 0.17231 -0.11242 0.71808 162 3PX 0.17715 0.59982 -0.05937 -0.31062 0.11503 163 3PY 0.21231 -0.13815 -0.13257 0.44558 0.14741 164 3PZ -0.19978 -0.01452 -0.16554 -0.08780 -0.03445 165 4S 0.28241 -0.56790 -0.28766 -0.16761 -1.73577 166 4PX -0.20462 -0.86555 0.11656 0.19298 -0.41071 167 4PY -0.28229 0.07236 0.15600 -0.40169 -0.08707 168 4PZ 0.33112 0.02763 0.26848 0.15237 -0.03683 169 5XX -0.10856 0.06121 0.10023 -0.01237 0.15694 170 5YY 0.06016 -0.01731 -0.04080 0.05509 -0.00934 171 5ZZ 0.00948 0.03986 -0.02329 -0.04689 0.03115 172 5XY -0.01198 0.01114 0.00820 -0.08149 -0.07132 173 5XZ -0.05643 0.00583 0.00545 -0.01780 0.08911 174 5YZ 0.00858 -0.01037 -0.00094 0.02676 -0.07591 136 137 138 139 140 V V V V V Eigenvalues -- 0.67807 0.69327 0.70662 0.74563 0.81941 1 1 Al 1S 0.01904 0.01000 -0.00968 0.00226 -0.00196 2 2S 0.05078 0.04517 0.01416 0.05066 0.00839 3 2PX 0.03655 0.01059 -0.01396 -0.01058 0.00106 4 2PY 0.01204 0.01500 -0.00660 -0.01382 -0.01488 5 2PZ -0.00882 -0.06050 0.00108 0.03104 0.00556 6 3S 1.08964 0.68952 -0.39490 0.35759 -0.02321 7 3PX -0.18210 0.02411 0.27218 0.07573 -0.01774 8 3PY -0.21434 -0.03360 0.17682 0.29540 0.09701 9 3PZ 0.10589 0.37502 -0.10788 -0.16940 -0.04732 10 4S -3.28354 -1.68963 0.80407 -1.31522 -0.29240 11 4PX 1.47633 1.11815 -0.52533 0.85793 0.13412 12 4PY -0.40332 -0.32223 0.33539 1.09535 -0.23640 13 4PZ -0.21608 0.79648 0.09499 -0.40377 0.01808 14 5XX -0.00526 0.01322 0.02579 0.22388 -0.00864 15 5YY -0.25010 -0.38597 -0.12654 -0.23218 -0.02490 16 5ZZ -0.06761 0.11813 0.33862 -0.13072 -0.02977 17 5XY -0.04195 -0.09859 0.08598 -0.13544 -0.02147 18 5XZ -0.04050 -0.06903 0.06013 -0.18992 0.02927 19 5YZ 0.03338 -0.29725 0.03980 0.33490 0.00131 20 2 Al 1S -0.01963 -0.00262 -0.01420 -0.00555 -0.00124 21 2S -0.06367 -0.01165 0.00302 -0.01339 0.00239 22 2PX 0.04397 0.00613 0.03051 0.01989 0.00541 23 2PY 0.02267 0.01030 0.00332 -0.00236 -0.00531 24 2PZ 0.03650 -0.01283 0.01285 0.00907 0.00458 25 3S -1.24206 -0.15538 -0.67212 -0.26467 -0.03294 26 3PX -0.24478 -0.08117 -0.38190 -0.11617 -0.03432 27 3PY -0.00075 -0.01865 -0.10734 -0.04958 0.02411 28 3PZ -0.25647 0.05352 -0.19090 -0.04010 -0.04262 29 4S 3.89611 0.93137 1.80079 0.44767 -0.07862 30 4PX 1.30750 0.15122 0.77119 0.36282 -0.13143 31 4PY 0.82553 0.41586 0.03073 -0.25394 0.54418 32 4PZ -0.26006 0.22543 0.08625 0.05395 -0.02237 33 5XX 0.22198 -0.08168 0.06038 0.00006 0.00151 34 5YY 0.43077 -0.01279 -0.00946 0.08912 0.01427 35 5ZZ -0.11973 0.10566 0.32796 -0.14791 -0.04012 36 5XY -0.02887 -0.06287 -0.00976 -0.05340 -0.02791 37 5XZ -0.24778 0.16524 -0.11508 -0.03873 -0.01189 38 5YZ -0.04576 0.05044 -0.01558 -0.01563 -0.03688 39 3 Br 1S -0.00201 0.00254 0.00379 0.00297 0.00093 40 2S 0.01049 -0.01089 -0.01710 -0.02619 -0.00740 41 3S -0.00681 0.00082 0.00369 0.04547 0.01174 42 4S -0.03449 0.04705 0.07018 0.03405 0.01145 43 5S -0.06652 0.21229 0.42384 -0.93689 -0.28513 44 6S 0.29289 -0.63557 -1.67063 2.26203 0.64300 45 7PX -0.03723 -0.00456 -0.00757 -0.01945 -0.00277 46 7PY -0.01118 -0.01190 0.00463 0.00667 0.00610 47 7PZ -0.01664 0.02165 0.04498 0.00339 0.00270 48 8PX 0.12089 0.01464 0.02455 0.06345 0.00906 49 8PY 0.03625 0.03875 -0.01508 -0.02212 -0.01996 50 8PZ 0.05378 -0.06983 -0.14592 -0.01145 -0.00904 51 9PX -0.44358 -0.04388 -0.08811 -0.24679 -0.03734 52 9PY -0.13151 -0.14850 0.05856 0.10574 0.08032 53 9PZ -0.17957 0.22657 0.52066 0.07148 0.05053 54 10PX 0.81206 0.07394 0.12915 0.47886 0.07433 55 10PY 0.23411 0.22597 -0.08975 -0.22183 -0.14113 56 10PZ 0.16993 -0.21828 -0.41337 -0.33460 -0.15568 57 11XX -0.01765 0.07287 0.00806 -0.05346 -0.00633 58 11YY 0.01309 -0.05688 0.03944 -0.00061 -0.00005 59 11ZZ 0.01095 -0.01172 -0.04565 -0.01008 -0.00961 60 11XY -0.03169 0.00220 -0.00089 0.02933 -0.01243 61 11XZ -0.06990 -0.01919 -0.00847 -0.00407 0.00350 62 11YZ -0.02251 0.01312 -0.00916 -0.04119 -0.00771 63 12XX 0.03857 -0.23586 0.20810 -0.18621 -0.09912 64 12YY -0.12252 0.46024 0.03671 -0.47785 -0.13475 65 12ZZ -0.10828 0.22209 0.47374 -0.40516 -0.07722 66 12XY 0.17686 -0.01306 0.00123 -0.16115 0.07170 67 12XZ 0.36240 0.10107 0.04652 0.02284 -0.02018 68 12YZ 0.11410 -0.06920 0.05114 0.22044 0.04380 69 4 Br 1S -0.00219 -0.00160 -0.00353 0.00545 -0.00015 70 2S 0.01343 0.01207 0.02276 -0.03907 0.00116 71 3S -0.01420 -0.01774 -0.02648 0.05369 -0.00163 72 4S -0.03358 -0.02142 -0.05285 0.07621 -0.00258 73 5S 0.12368 0.25291 0.19912 -0.85669 -0.00934 74 6S -0.14441 -0.58182 -0.18652 1.86085 0.00393 75 7PX -0.00077 0.01263 -0.03385 0.03952 0.00182 76 7PY 0.00880 0.01631 0.00541 0.01152 -0.00153 77 7PZ -0.01595 0.03625 0.00845 -0.01611 0.00072 78 8PX 0.00238 -0.04107 0.10971 -0.12897 -0.00600 79 8PY -0.02857 -0.05310 -0.01762 -0.03752 0.00507 80 8PZ 0.05172 -0.11792 -0.02739 0.05275 -0.00234 81 9PX 0.00034 0.15867 -0.38729 0.51149 0.02774 82 9PY 0.10444 0.20287 0.06202 0.14704 -0.02446 83 9PZ -0.18869 0.44917 0.09928 -0.21952 0.00822 84 10PX -0.09790 -0.25308 0.41462 -0.91930 -0.06644 85 10PY -0.12040 -0.31590 -0.03608 -0.20396 0.06420 86 10PZ 0.24714 -0.68491 -0.12451 0.38812 -0.00892 87 11XX 0.01321 -0.02785 0.00787 -0.09437 -0.00346 88 11YY 0.01710 0.04135 0.01362 0.03754 -0.00326 89 11ZZ -0.01298 0.01075 0.01204 -0.01482 0.00921 90 11XY -0.01204 -0.01285 0.00534 0.01098 0.00894 91 11XZ 0.01287 -0.04897 -0.00814 0.04321 0.00060 92 11YZ -0.01235 0.06089 0.00437 -0.05486 0.00053 93 12XX -0.00989 0.28263 0.06889 0.10359 0.01994 94 12YY -0.04122 -0.09167 0.03475 -0.62213 0.01726 95 12ZZ 0.11446 0.07723 0.03233 -0.32902 -0.05131 96 12XY 0.05860 0.06076 -0.04303 -0.06154 -0.05241 97 12XZ -0.06669 0.26335 0.04068 -0.23326 -0.00298 98 12YZ 0.06406 -0.32083 -0.02252 0.29266 -0.00278 99 5 Cl 1S -0.02463 -0.00443 0.02687 0.02417 -0.00575 100 2S -0.01774 -0.02579 -0.00666 -0.01035 -0.00268 101 2PX -0.02438 -0.00286 0.08596 0.00259 -0.00361 102 2PY 0.01750 0.08304 0.04705 0.06269 -0.00028 103 2PZ 0.02007 -0.06284 -0.01426 0.04003 0.00157 104 3S -0.63792 -0.17458 0.62946 0.55791 -0.14813 105 3PX 0.11802 0.03416 -0.36056 -0.00181 0.01761 106 3PY -0.05223 -0.32670 -0.20622 -0.26550 0.00573 107 3PZ -0.08778 0.25846 0.06221 -0.15846 -0.00576 108 4S 1.66043 0.74156 -1.21079 -1.11997 0.35321 109 4PX -0.43031 -0.31389 0.58793 -0.08255 -0.05663 110 4PY -0.28432 0.17185 0.41079 0.41910 -0.05534 111 4PZ 0.18052 -0.41241 -0.11079 0.21018 0.00875 112 5XX 0.00916 -0.05670 0.02647 0.00873 0.07120 113 5YY -0.12673 -0.04854 0.09133 0.09036 -0.02956 114 5ZZ -0.04774 0.04470 0.02540 0.01900 -0.07344 115 5XY -0.14810 -0.21306 0.03607 -0.19101 -0.04034 116 5XZ 0.02644 0.07784 -0.01868 -0.11974 -0.03362 117 5YZ 0.04650 0.02261 -0.04220 -0.15493 -0.03110 118 6 Cl 1S 0.01325 -0.02637 0.01473 -0.00992 -0.00227 119 2S 0.01336 -0.02566 0.03635 -0.01260 -0.00329 120 2PX 0.08442 0.05167 0.01490 0.00978 0.01097 121 2PY 0.02349 0.04367 0.00301 0.01125 -0.03386 122 2PZ 0.01988 -0.02183 0.02469 0.01176 -0.00401 123 3S 0.35229 -0.70080 0.44543 -0.27200 -0.06407 124 3PX -0.38477 -0.23460 -0.06944 -0.04265 -0.04650 125 3PY -0.10642 -0.18045 -0.00914 -0.03951 0.14181 126 3PZ -0.06605 0.06190 -0.08132 -0.06342 0.01482 127 4S -0.89126 1.81549 -1.48637 0.74508 0.19610 128 4PX 1.05614 0.59985 0.19857 0.12615 0.08255 129 4PY 0.28388 0.31859 -0.02759 -0.01306 -0.22410 130 4PZ -0.05416 0.22124 -0.20506 0.29957 0.02052 131 5XX 0.12377 -0.18730 0.30293 -0.11643 -0.15080 132 5YY -0.13077 0.17077 -0.08826 0.17465 0.15699 133 5ZZ 0.10754 -0.17813 -0.06416 -0.13433 -0.02252 134 5XY -0.10366 -0.00990 0.20973 0.20969 0.53028 135 5XZ -0.17070 -0.08046 -0.03550 -0.07249 0.08548 136 5YZ -0.03831 0.08326 0.04521 0.22988 -0.50082 137 7 Cl 1S 0.00121 -0.00306 0.02432 0.00211 -0.00810 138 2S 0.02604 0.00017 -0.00295 0.00303 -0.00571 139 2PX -0.00158 0.01106 -0.07274 0.00873 -0.01150 140 2PY 0.07207 -0.01001 -0.04287 -0.00026 -0.00471 141 2PZ 0.00768 -0.02109 -0.01201 0.00092 0.01075 142 3S 0.09742 -0.07381 0.57758 0.05959 -0.21296 143 3PX 0.01989 -0.04805 0.30881 -0.03238 0.03679 144 3PY -0.27516 0.03944 0.19043 -0.00003 0.01536 145 3PZ -0.03575 0.08822 0.05146 -0.00243 -0.04157 146 4S -0.51769 0.13367 -1.13939 -0.21325 0.56036 147 4PX -0.23229 0.08317 -0.54500 -0.00571 0.04297 148 4PY 0.05274 -0.05116 -0.41835 -0.03072 0.04719 149 4PZ 0.10308 -0.14778 -0.07661 -0.00393 0.04596 150 5XX -0.00955 -0.04036 0.01635 -0.00353 -0.17616 151 5YY 0.10559 -0.01864 0.09043 -0.00767 0.13806 152 5ZZ -0.05215 0.04353 0.02734 0.02457 -0.01168 153 5XY 0.08593 -0.01656 0.06826 0.06625 -0.36641 154 5XZ -0.02819 0.02948 0.01951 -0.00501 0.04895 155 5YZ -0.03370 -0.00167 0.03029 0.02155 0.15189 156 8 Cl 1S 0.02651 0.01074 0.01788 -0.01138 0.00475 157 2S 0.02129 0.00242 -0.00073 0.00515 0.00646 158 2PX -0.00380 -0.00551 -0.07707 0.02009 0.02118 159 2PY -0.02500 0.00998 -0.01356 -0.02560 -0.00485 160 2PZ 0.02093 -0.02201 -0.01546 0.00502 -0.01074 161 3S 0.69245 0.26512 0.42830 -0.26174 0.13330 162 3PX 0.04848 0.02684 0.32941 -0.08659 -0.07847 163 3PY 0.09097 -0.04446 0.04622 0.10744 0.02254 164 3PZ -0.08245 0.09372 0.06532 -0.02097 0.04228 165 4S -1.78142 -0.64056 -0.83135 0.48025 -0.41337 166 4PX -0.53251 -0.12107 -0.60349 0.13309 0.01112 167 4PY 0.10076 0.12058 0.03343 -0.14615 -0.01421 168 4PZ 0.09927 -0.17172 -0.10002 0.02823 -0.05160 169 5XX 0.20469 -0.01788 0.04613 -0.04454 0.35862 170 5YY -0.01459 0.00979 0.04914 0.01365 -0.29199 171 5ZZ -0.00826 0.07136 0.00623 -0.02459 -0.03355 172 5XY -0.14623 -0.05681 -0.06527 0.00453 -0.09904 173 5XZ 0.03574 0.04169 0.01914 -0.01905 -0.05646 174 5YZ -0.03651 0.00477 -0.00934 -0.02750 0.13488 141 142 143 144 145 V V V V V Eigenvalues -- 0.82901 0.85299 0.85596 0.85638 0.85808 1 1 Al 1S -0.01229 0.00017 -0.01091 0.00081 -0.00265 2 2S 0.04092 -0.01930 0.03815 -0.00117 0.00338 3 2PX -0.03241 0.01739 -0.01920 0.00057 0.00198 4 2PY -0.00807 0.00689 -0.02010 0.00318 -0.01559 5 2PZ 0.02431 -0.00407 0.03167 -0.00261 0.00234 6 3S -0.25295 -0.07288 -0.23051 0.02227 -0.07242 7 3PX 0.20719 -0.12342 0.07877 -0.00015 -0.02595 8 3PY 0.03758 -0.02731 0.16973 -0.03217 0.12320 9 3PZ -0.28980 0.03139 -0.23083 0.02515 -0.04470 10 4S -1.22062 0.26820 -0.98721 0.05179 -0.20575 11 4PX 0.24528 -0.12957 0.19678 -0.01799 0.08877 12 4PY -0.14162 -0.30686 0.02925 -0.01435 -0.09482 13 4PZ 0.16414 0.07046 -0.14454 -0.00988 0.08905 14 5XX -0.14045 -0.07028 -0.14715 0.00674 -0.02421 15 5YY 0.20480 0.02155 0.05702 0.00773 -0.03426 16 5ZZ -0.28574 0.02602 -0.05275 0.00422 -0.01218 17 5XY 0.00912 0.07845 0.06294 -0.00090 0.00174 18 5XZ 0.29244 -0.05541 0.16253 0.00295 0.02213 19 5YZ -0.07216 -0.01360 0.06032 -0.00968 -0.01663 20 2 Al 1S -0.00977 -0.00350 -0.00300 0.00161 -0.00498 21 2S 0.02871 0.02015 -0.01495 -0.00475 0.01564 22 2PX 0.03349 0.01446 0.00949 -0.00673 0.02032 23 2PY 0.01220 0.01163 0.00500 -0.00190 0.00567 24 2PZ 0.03711 0.01082 0.00936 -0.00472 0.01490 25 3S -0.21682 -0.04385 -0.18864 0.03991 -0.11881 26 3PX -0.23701 -0.09089 -0.08294 0.04289 -0.12545 27 3PY -0.07976 -0.04648 -0.02884 0.01319 -0.05479 28 3PZ -0.35298 -0.09521 -0.06809 0.04504 -0.14178 29 4S -0.84991 -0.38928 0.34091 0.08585 -0.28433 30 4PX -0.13626 -0.11997 0.15317 0.01289 -0.07831 31 4PY -0.04408 0.09856 0.06892 -0.00701 0.16693 32 4PZ 0.05941 -0.06277 0.02109 0.00013 -0.02149 33 5XX -0.05255 -0.02148 -0.00367 0.01194 -0.02798 34 5YY 0.16043 0.02389 0.03294 -0.01794 0.04489 35 5ZZ -0.28299 -0.02641 -0.03388 0.01999 -0.06160 36 5XY -0.06499 -0.03695 -0.01925 0.01275 -0.05865 37 5XZ -0.16941 -0.08874 -0.02812 0.03191 -0.08792 38 5YZ -0.06535 -0.02290 -0.01189 -0.00604 -0.03420 39 3 Br 1S 0.00639 0.00026 0.00057 -0.00095 0.00260 40 2S -0.04877 -0.00207 -0.01051 0.00631 -0.01744 41 3S 0.07384 0.00329 0.02708 -0.00782 0.02207 42 4S 0.08133 0.00302 -0.00292 -0.01380 0.03722 43 5S -1.88890 -0.09699 -0.73634 0.17391 -0.51942 44 6S 4.13387 0.19940 1.76046 -0.35334 1.07079 45 7PX -0.00116 0.01139 -0.01467 -0.00057 0.00525 46 7PY -0.00340 -0.00007 -0.00398 -0.00334 0.00126 47 7PZ 0.02543 0.00179 0.00580 -0.00302 0.00917 48 8PX 0.00386 -0.03748 0.04830 0.00191 -0.01730 49 8PY 0.01113 0.00023 0.01302 0.01089 -0.00423 50 8PZ -0.08475 -0.00599 -0.01978 0.00999 -0.03040 51 9PX -0.02213 0.16720 -0.21681 -0.01138 0.07843 52 9PY -0.04389 -0.00004 -0.05262 -0.04191 0.02299 53 9PZ 0.44723 0.03279 0.12928 -0.04850 0.14880 54 10PX 0.06467 -0.36887 0.49524 0.03449 -0.16969 55 10PY 0.06451 -0.01056 0.09284 0.06089 -0.06829 56 10PZ -1.23193 -0.08114 -0.42951 0.11777 -0.36532 57 11XX -0.06318 0.00047 -0.02910 0.00451 -0.01153 58 11YY 0.04360 0.00369 0.02072 -0.00305 0.00944 59 11ZZ -0.07910 -0.00850 -0.03202 0.00839 -0.02576 60 11XY -0.03786 -0.01023 -0.01113 0.00263 -0.00972 61 11XZ 0.00671 -0.03090 0.03318 0.00468 -0.01660 62 11YZ 0.00348 0.00030 0.00429 0.00434 -0.00738 63 12XX -0.50434 -0.04647 -0.22518 0.04617 -0.15050 64 12YY -1.11994 -0.06479 -0.51418 0.09074 -0.27370 65 12ZZ -0.39637 0.00299 -0.20665 0.02372 -0.06791 66 12XY 0.21483 0.05887 0.06356 -0.01476 0.05657 67 12XZ -0.04122 0.18306 -0.19904 -0.02847 0.09923 68 12YZ -0.01619 0.00263 -0.02467 -0.02424 0.04411 69 4 Br 1S 0.00292 0.00007 0.00215 -0.00051 0.00081 70 2S -0.02189 0.00227 -0.01564 0.00317 -0.00512 71 3S 0.03182 -0.00832 0.02210 -0.00341 0.00580 72 4S 0.04015 0.00450 0.02955 -0.00792 0.01223 73 5S -0.51435 0.08762 -0.52661 0.06784 -0.14455 74 6S 1.07639 -0.28244 1.16671 -0.12945 0.27756 75 7PX 0.00944 -0.00360 0.00394 -0.00147 0.00319 76 7PY -0.00966 -0.00371 -0.00552 0.00065 -0.00255 77 7PZ 0.00921 0.00101 -0.00174 -0.00105 0.00221 78 8PX -0.03096 0.01184 -0.01319 0.00483 -0.01053 79 8PY 0.03179 0.01218 0.01834 -0.00215 0.00843 80 8PZ -0.03012 -0.00331 0.00572 0.00341 -0.00723 81 9PX 0.12912 -0.04756 0.07582 -0.02164 0.05074 82 9PY -0.13784 -0.05609 -0.09653 0.01038 -0.04061 83 9PZ 0.12143 0.01325 -0.02461 -0.01204 0.02950 84 10PX -0.26411 0.08699 -0.27966 0.05013 -0.13185 85 10PY 0.27261 0.12657 0.29148 -0.02840 0.10851 86 10PZ -0.18495 -0.02651 0.05877 0.01305 -0.05166 87 11XX -0.00549 0.01729 -0.01120 0.00377 -0.00896 88 11YY -0.02725 -0.01294 -0.02300 0.00126 -0.00480 89 11ZZ -0.01052 0.00914 0.00472 -0.00089 0.00662 90 11XY 0.01782 0.00832 0.02748 -0.00349 0.01374 91 11XZ -0.01881 -0.00061 0.00224 0.00064 -0.00339 92 11YZ 0.01617 0.00029 -0.00400 0.00112 0.00307 93 12XX -0.22182 -0.01498 -0.16094 0.00340 -0.00297 94 12YY -0.11063 0.15587 -0.09987 0.01750 -0.02624 95 12ZZ -0.20118 0.02208 -0.26683 0.03094 -0.09513 96 12XY -0.09518 -0.05564 -0.16928 0.02143 -0.08352 97 12XZ 0.09747 0.00422 -0.01460 -0.00265 0.01856 98 12YZ -0.08586 -0.00293 0.02260 -0.00604 -0.01715 99 5 Cl 1S -0.01888 -0.00534 -0.00793 -0.00004 -0.00290 100 2S 0.00025 0.00023 -0.00162 0.00029 -0.00160 101 2PX -0.01547 0.00103 -0.00269 0.00028 -0.00409 102 2PY -0.03971 -0.00613 -0.01688 -0.00074 -0.00019 103 2PZ -0.01312 0.00447 0.00497 -0.00151 -0.00621 104 3S -0.46092 -0.13102 -0.19883 -0.00018 -0.07534 105 3PX 0.07136 -0.00311 0.01426 -0.00136 0.01853 106 3PY 0.17905 0.02852 0.07764 0.00291 0.00292 107 3PZ 0.05571 -0.01761 -0.02195 0.00602 0.02629 108 4S 0.96149 0.28893 0.43487 -0.00088 0.17743 109 4PX -0.18120 0.00334 -0.05700 0.00413 -0.04412 110 4PY -0.35203 -0.06589 -0.16196 -0.00325 -0.02589 111 4PZ -0.07647 0.01570 0.06009 -0.00691 -0.04220 112 5XX 0.00983 -0.53085 -0.29611 0.12785 -0.36233 113 5YY 0.02389 -0.03827 0.00310 0.01110 -0.03674 114 5ZZ -0.13213 0.54372 0.25037 -0.13867 0.38296 115 5XY -0.08015 0.09671 0.09803 -0.04053 0.09917 116 5XZ 0.08221 -0.19743 0.17469 -0.08340 0.16270 117 5YZ -0.10147 0.00357 -0.04185 0.02848 -0.00849 118 6 Cl 1S -0.01069 0.00095 -0.00190 0.00008 -0.00149 119 2S -0.02030 -0.00042 -0.00369 0.00233 -0.00702 120 2PX 0.00213 -0.00828 0.00963 0.00205 0.00393 121 2PY 0.00974 0.00999 0.00269 -0.00853 -0.00663 122 2PZ -0.05303 -0.00426 0.00307 0.00464 -0.01242 123 3S -0.31456 0.02231 -0.05639 0.00803 -0.05504 124 3PX -0.01231 0.03591 -0.04254 -0.00836 -0.01784 125 3PY -0.04272 -0.04432 -0.01258 0.03481 0.02840 126 3PZ 0.21396 0.01842 -0.01444 -0.01858 0.04955 127 4S 1.05254 -0.03933 0.19036 -0.05745 0.24372 128 4PX 0.05541 -0.08465 0.11854 0.01146 0.03684 129 4PY 0.10190 0.07952 0.03043 -0.04175 -0.04731 130 4PZ -0.08510 -0.03396 0.07925 0.00757 -0.01003 131 5XX 0.46526 -0.07310 -0.08263 0.00221 0.00140 132 5YY -0.03697 0.07366 -0.01780 0.00352 -0.00804 133 5ZZ -0.51199 0.00289 0.08574 -0.00128 -0.01179 134 5XY 0.09785 0.14555 0.02091 0.01772 0.00479 135 5XZ 0.00288 -0.09158 0.02604 0.00713 0.00160 136 5YZ 0.08020 0.18695 0.05107 -0.01037 -0.08416 137 7 Cl 1S -0.01152 -0.00430 -0.00150 0.00111 -0.00427 138 2S 0.00161 -0.00123 0.00254 0.00017 -0.00297 139 2PX 0.01585 -0.00092 -0.00003 -0.00215 0.00601 140 2PY 0.02728 0.00748 0.00969 -0.00139 -0.00357 141 2PZ -0.00555 -0.00282 0.00291 0.00140 -0.00405 142 3S -0.27755 -0.10887 -0.02990 0.02762 -0.11280 143 3PX -0.06941 0.00184 0.00050 0.00932 -0.02702 144 3PY -0.12277 -0.03375 -0.03945 0.00683 0.01053 145 3PZ 0.02577 0.01093 -0.01133 -0.00606 0.01655 146 4S 0.53615 0.25242 0.01971 -0.05877 0.28587 147 4PX 0.13975 0.02487 -0.01163 -0.01834 0.06898 148 4PY 0.22260 0.07501 0.03712 -0.01627 0.02518 149 4PZ -0.03560 -0.00223 0.01408 0.00628 -0.01397 150 5XX 0.11390 0.41185 -0.39680 -0.04442 -0.38082 151 5YY 0.00225 0.05938 -0.01247 -0.00415 -0.06502 152 5ZZ -0.17400 -0.49405 0.40568 0.05451 0.42006 153 5XY -0.01183 -0.19067 0.13385 0.01002 0.14450 154 5XZ 0.12698 -0.06057 0.15941 0.73096 -0.20739 155 5YZ 0.08811 -0.05462 0.02241 -0.28462 0.01909 156 8 Cl 1S -0.01114 0.00044 -0.00024 0.00086 -0.00223 157 2S -0.00023 -0.00130 0.00261 -0.00009 0.00263 158 2PX 0.01965 0.00084 0.00305 -0.00111 0.00825 159 2PY -0.01378 0.00322 -0.00699 0.00312 -0.01612 160 2PZ -0.00171 -0.00250 0.00314 0.00221 -0.00489 161 3S -0.27274 0.00754 0.00112 0.02085 -0.04763 162 3PX -0.09087 -0.00422 -0.01147 0.00522 -0.03548 163 3PY 0.06374 -0.01145 0.02870 -0.01345 0.06842 164 3PZ 0.00946 0.00943 -0.01226 -0.00868 0.01995 165 4S 0.55581 0.00063 -0.04831 -0.04069 0.04316 166 4PX 0.20651 0.01602 -0.00918 -0.01250 0.04823 167 4PY -0.11928 0.00783 -0.02706 0.01973 -0.08998 168 4PZ -0.01004 0.00005 0.01352 0.00888 -0.01952 169 5XX -0.05613 -0.00822 -0.29672 0.03869 0.28254 170 5YY 0.09258 -0.15297 -0.27006 -0.05917 0.18683 171 5ZZ -0.09590 0.16008 0.56906 0.02492 -0.47769 172 5XY 0.06560 -0.12813 -0.35000 0.00515 0.21476 173 5XZ 0.16756 -0.23190 0.10614 -0.36584 -0.28970 174 5YZ -0.07587 -0.13059 0.07417 -0.45159 -0.28145 146 147 148 149 150 V V V V V Eigenvalues -- 0.86012 0.86433 0.88590 0.92945 0.93476 1 1 Al 1S 0.00168 0.00488 0.00422 -0.02135 0.00057 2 2S -0.00813 -0.00882 0.00579 0.11472 0.00234 3 2PX 0.01429 0.01053 -0.03323 0.00097 0.00027 4 2PY -0.00258 0.00124 -0.01841 -0.06885 0.00021 5 2PZ -0.00988 0.00189 -0.01877 0.03682 0.00483 6 3S 0.03637 0.15331 0.18272 -0.29879 0.04194 7 3PX -0.10210 -0.07131 0.27626 -0.13567 0.00480 8 3PY 0.02782 0.00168 0.14196 0.57868 0.00303 9 3PZ 0.08592 -0.00075 0.07247 -0.26315 0.00456 10 4S 0.01589 0.17119 0.11546 -3.06421 -0.17688 11 4PX 0.03112 0.02788 0.14092 0.83798 0.08581 12 4PY -0.13345 0.16066 1.05665 0.73239 0.00436 13 4PZ -0.03994 -0.16912 0.11997 -0.11937 0.03346 14 5XX 0.01750 0.07048 0.30268 -0.32616 -0.02792 15 5YY -0.03398 -0.06082 -0.16978 0.00816 -0.01104 16 5ZZ 0.00095 0.01364 -0.08638 0.04796 0.01658 17 5XY 0.02171 -0.03014 -0.21019 0.07916 0.00842 18 5XZ -0.00488 -0.14822 0.06943 0.30678 0.02582 19 5YZ -0.01333 0.07760 -0.03370 0.15350 0.02405 20 2 Al 1S -0.00079 0.00124 -0.00713 -0.00032 0.00207 21 2S 0.00145 -0.00398 0.02484 -0.05996 -0.01264 22 2PX 0.00056 -0.00509 0.02590 0.01430 -0.00719 23 2PY 0.00225 -0.00183 -0.00195 -0.00565 0.00180 24 2PZ 0.00427 -0.00298 0.02598 -0.02550 0.05989 25 3S -0.03651 0.01795 -0.15793 -0.33006 0.02291 26 3PX -0.00810 0.03018 -0.16388 -0.17510 0.02996 27 3PY -0.01594 0.00994 -0.01135 0.01707 -0.00940 28 3PZ 0.01948 0.06727 -0.19598 0.12691 -0.29364 29 4S 0.08142 0.23403 -0.52096 2.14964 0.41298 30 4PX 0.02954 0.07982 -0.00573 0.69058 0.11923 31 4PY 0.12868 -0.01200 -0.37248 0.07173 0.01154 32 4PZ -0.07470 0.07483 -0.06825 0.15653 -0.42487 33 5XX 0.02317 0.01376 -0.04864 -0.03075 -0.03478 34 5YY -0.01118 -0.03611 0.09768 -0.08850 -0.04289 35 5ZZ 0.02161 0.07146 -0.12265 0.27076 0.09971 36 5XY -0.01335 0.01190 -0.02767 0.05439 0.01562 37 5XZ -0.01838 0.04660 -0.12411 0.08329 0.21127 38 5YZ -0.00029 0.01545 -0.05669 0.04121 0.05987 39 3 Br 1S -0.00337 0.00013 0.00209 0.00243 0.00101 40 2S 0.01804 0.00163 -0.01606 -0.01934 -0.00933 41 3S -0.01330 -0.00743 0.02441 0.03073 0.01609 42 4S -0.05617 0.00704 0.02696 0.03005 0.01448 43 5S 0.21564 0.31315 -0.63175 -0.77372 -0.14249 44 6S -0.25849 -0.74976 1.41783 1.74569 0.33370 45 7PX 0.00049 -0.00680 0.00757 -0.03173 0.00727 46 7PY 0.00052 -0.00130 0.01312 -0.00188 0.00150 47 7PZ -0.00882 -0.00303 0.00805 0.00958 -0.00026 48 8PX -0.00171 0.02214 -0.02511 0.10523 -0.02369 49 8PY -0.00169 0.00413 -0.04318 0.00621 -0.00488 50 8PZ 0.02887 0.01036 -0.02684 -0.03211 0.00094 51 9PX 0.01367 -0.08306 0.12462 -0.51598 0.08500 52 9PY 0.00616 -0.01000 0.18897 -0.03060 0.01709 53 9PZ -0.11739 -0.07107 0.14242 0.17608 -0.01177 54 10PX -0.05162 0.12709 -0.32043 1.38474 -0.11276 55 10PY -0.00901 -0.00403 -0.38734 0.09334 -0.02097 56 10PZ 0.19774 0.23788 -0.42177 -0.50016 0.03941 57 11XX 0.00378 0.00517 -0.02269 -0.00968 -0.01562 58 11YY -0.00470 -0.01071 0.01130 0.01364 -0.00678 59 11ZZ 0.01349 0.01681 -0.02135 -0.04544 -0.00175 60 11XY -0.00179 0.01263 0.01481 0.01395 -0.00208 61 11XZ -0.01002 -0.00478 -0.02589 0.08788 0.00660 62 11YZ -0.00067 -0.00617 -0.03053 -0.00178 0.00169 63 12XX 0.01120 0.12699 -0.15742 -0.28994 -0.01186 64 12YY 0.06079 0.22370 -0.35956 -0.44502 -0.05626 65 12ZZ -0.04233 0.05938 -0.15153 -0.10201 -0.09408 66 12XY 0.01003 -0.07188 -0.08301 -0.07964 0.01001 67 12XZ 0.05780 0.02739 0.15988 -0.54349 -0.04460 68 12YZ 0.00430 0.03299 0.17312 0.00130 -0.01186 69 4 Br 1S -0.00005 0.00031 0.00366 0.00695 -0.00041 70 2S 0.00125 -0.00125 -0.02466 -0.05181 0.00257 71 3S -0.00340 -0.00016 0.03072 0.07490 -0.00276 72 4S 0.00047 0.00588 0.05521 0.09681 -0.00669 73 5S 0.03559 0.03023 -0.32639 -1.75009 0.01373 74 6S -0.11106 -0.08480 0.68269 3.96094 -0.00175 75 7PX -0.00025 0.00185 0.01593 0.01691 -0.00097 76 7PY -0.00155 0.00194 0.00853 -0.00503 0.00079 77 7PZ -0.00100 -0.00505 0.00357 0.00049 -0.00107 78 8PX 0.00080 -0.00600 -0.05218 -0.05639 0.00317 79 8PY 0.00508 -0.00643 -0.02831 0.01749 -0.00258 80 8PZ 0.00322 0.01662 -0.01173 -0.00159 0.00350 81 9PX -0.00164 0.02134 0.20652 0.30377 -0.01091 82 9PY -0.02197 0.03236 0.14654 -0.14476 0.00838 83 9PZ -0.01061 -0.07258 0.05059 0.00536 -0.01362 84 10PX -0.00240 -0.02093 -0.33644 -1.03919 0.00135 85 10PY 0.04875 -0.08143 -0.38639 0.68683 -0.00265 86 10PZ 0.00952 0.13839 -0.09702 0.00345 0.01588 87 11XX 0.00218 -0.00634 -0.06047 -0.05363 0.00212 88 11YY -0.00126 0.00902 0.04694 -0.05417 -0.00018 89 11ZZ 0.00435 -0.00169 -0.02651 0.00640 0.00153 90 11XY 0.00581 -0.00471 -0.02262 0.07158 0.00040 91 11XZ -0.00148 0.01210 -0.00774 0.00157 0.00392 92 11YZ 0.00322 -0.01722 0.01069 0.00335 0.00013 93 12XX 0.01807 0.05611 0.17392 -0.45107 -0.00462 94 12YY 0.03895 -0.02866 -0.43266 -0.46069 0.00728 95 12ZZ 0.00266 0.03327 0.00449 -0.84005 -0.00359 96 12XY -0.03633 0.02847 0.14976 -0.45648 -0.00485 97 12XZ 0.00891 -0.06733 0.04248 -0.00857 -0.01989 98 12YZ -0.01762 0.09386 -0.05635 -0.01737 -0.00111 99 5 Cl 1S -0.00129 0.00627 0.02360 -0.00788 0.00011 100 2S -0.00102 0.00042 0.00280 -0.00685 -0.00104 101 2PX 0.00004 0.00142 -0.00302 -0.00174 0.00026 102 2PY 0.00240 0.01120 0.03055 -0.02265 0.00197 103 2PZ 0.00460 0.00608 -0.02237 -0.00562 0.00199 104 3S -0.03453 0.15510 0.59057 -0.21296 0.00013 105 3PX 0.00047 -0.00717 0.00772 0.01056 -0.00083 106 3PY -0.00968 -0.05115 -0.14256 0.11001 -0.00832 107 3PZ -0.01956 -0.02616 0.09585 0.02454 -0.00825 108 4S 0.09677 -0.34193 -1.35633 0.48739 0.02219 109 4PX -0.00663 0.02715 0.03207 -0.07767 -0.00807 110 4PY 0.00125 0.10997 0.34957 -0.28316 0.00457 111 4PZ 0.03001 0.05182 -0.17259 -0.02405 0.00773 112 5XX -0.30548 -0.12023 -0.04633 -0.19144 0.00629 113 5YY -0.01001 -0.03637 -0.00949 0.23537 0.00046 114 5ZZ 0.30843 0.18841 0.17089 -0.09188 -0.00788 115 5XY 0.03114 0.09067 0.19793 -0.22987 -0.00275 116 5XZ -0.40471 0.78427 -0.03837 0.00949 -0.03984 117 5YZ 0.15189 -0.18491 0.26951 0.21872 0.02690 118 6 Cl 1S -0.00217 0.00340 -0.00716 -0.00961 0.00731 119 2S 0.00662 0.00207 -0.00713 -0.00701 0.00332 120 2PX -0.01141 -0.02429 0.00811 0.05319 0.02954 121 2PY 0.00386 -0.01709 -0.03194 0.00252 0.00768 122 2PZ 0.01957 0.00459 -0.00002 0.01559 0.00842 123 3S -0.03683 0.09015 -0.19709 -0.25927 0.19435 124 3PX 0.04531 0.10279 -0.03918 -0.24484 -0.13576 125 3PY -0.01620 0.07138 0.14550 -0.00856 -0.03542 126 3PZ -0.08057 -0.01905 -0.00415 -0.07694 -0.03531 127 4S -0.03346 -0.24366 0.56133 0.67530 -0.47443 128 4PX -0.04687 -0.16898 0.09479 0.69211 0.33427 129 4PY 0.02268 -0.11601 -0.30290 0.00697 0.08307 130 4PZ 0.08883 -0.00630 0.12501 0.26610 0.01591 131 5XX -0.00571 -0.06550 0.23368 -0.18241 -0.19583 132 5YY -0.01258 0.02684 -0.20902 -0.10699 0.07363 133 5ZZ 0.02029 0.05579 -0.06550 0.24134 0.15105 134 5XY 0.03792 -0.01982 -0.40270 -0.14601 -0.05770 135 5XZ -0.04113 -0.04125 0.10170 0.11762 0.00376 136 5YZ 0.00473 -0.03247 -0.46452 -0.13412 0.01861 137 7 Cl 1S -0.00023 0.00331 -0.00075 0.01165 0.00331 138 2S -0.00183 -0.00077 0.00052 0.00505 0.00057 139 2PX -0.00168 -0.00580 0.00136 -0.00118 -0.00482 140 2PY -0.00701 -0.00891 0.01001 -0.02246 -0.00544 141 2PZ 0.00986 0.00406 -0.00044 -0.00646 0.03887 142 3S -0.01069 0.07947 -0.01602 0.30321 0.08388 143 3PX 0.00705 0.02537 -0.00634 0.00938 0.02205 144 3PY 0.02871 0.03919 -0.04504 0.10503 0.02560 145 3PZ -0.04090 -0.01622 0.00123 0.02898 -0.17355 146 4S 0.05939 -0.15232 -0.00361 -0.73592 -0.18520 147 4PX -0.00691 -0.04976 0.01665 -0.09056 -0.05489 148 4PY -0.02816 -0.06725 0.07738 -0.27805 -0.06317 149 4PZ 0.06150 0.00922 0.01605 -0.06765 0.35389 150 5XX -0.08998 0.21905 0.03797 0.29721 0.03887 151 5YY -0.02745 0.03033 0.09176 -0.07733 0.02302 152 5ZZ 0.11397 -0.23450 -0.13634 -0.16138 -0.04627 153 5XY 0.03591 -0.10097 -0.06541 0.09390 -0.03642 154 5XZ 0.43945 0.29429 0.02864 -0.03030 0.05347 155 5YZ -0.02728 -0.03003 -0.00102 -0.06974 0.66596 156 8 Cl 1S 0.00190 0.00199 -0.01086 0.01082 0.00360 157 2S 0.00107 -0.00047 -0.00199 0.00372 0.00057 158 2PX -0.00379 -0.00485 0.01420 -0.01745 -0.00802 159 2PY -0.00308 0.00561 -0.00786 0.01669 0.00704 160 2PZ 0.01041 0.00069 0.00381 -0.00829 0.03818 161 3S 0.04964 0.04746 -0.27377 0.27860 0.09104 162 3PX 0.01736 0.02189 -0.06652 0.08208 0.03689 163 3PY 0.01233 -0.02392 0.03811 -0.07735 -0.03238 164 3PZ -0.04311 -0.00228 -0.01684 0.03770 -0.17021 165 4S -0.12382 -0.08647 0.61029 -0.65488 -0.20096 166 4PX -0.04577 -0.04542 0.17052 -0.23996 -0.08918 167 4PY -0.01057 0.03443 -0.08640 0.18675 0.07154 168 4PZ 0.06230 -0.00919 0.04834 -0.09104 0.34542 169 5XX 0.13234 0.10976 -0.05955 0.18074 -0.00291 170 5YY 0.17215 0.03254 -0.13049 -0.03426 -0.04945 171 5ZZ -0.29411 -0.13272 0.13681 -0.09234 0.06915 172 5XY 0.17085 0.09696 -0.07621 0.09115 0.07780 173 5XZ 0.49741 0.18855 0.02357 -0.06504 0.31985 174 5YZ 0.29350 0.09169 -0.05225 0.03874 -0.57262 151 152 153 154 155 V V V V V Eigenvalues -- 0.94554 0.95070 0.95941 0.98115 0.98930 1 1 Al 1S -0.00983 -0.00364 0.00002 -0.00188 -0.00790 2 2S -0.01047 0.00654 0.02582 -0.01344 -0.04957 3 2PX -0.03889 -0.03201 -0.00249 0.03177 0.10633 4 2PY -0.01390 0.01748 -0.00490 -0.01860 -0.05111 5 2PZ 0.02616 0.01759 0.04171 -0.01725 -0.04971 6 3S -0.44829 -0.12528 0.12440 -0.14235 -0.58560 7 3PX 0.34490 0.26618 -0.00663 -0.24985 -0.80657 8 3PY 0.12151 -0.11489 0.03560 0.16188 0.48054 9 3PZ -0.21493 -0.13808 -0.20294 0.11790 0.34790 10 4S 0.62882 0.04203 -0.68696 0.27666 1.16813 11 4PX -0.11524 -0.02512 0.26381 -0.22537 -1.06585 12 4PY -0.22070 0.12481 0.24504 -0.01313 0.29926 13 4PZ -0.04142 -0.04717 -0.24755 0.05515 0.12918 14 5XX -0.24580 -0.11023 0.04670 -0.03180 -0.16509 15 5YY -0.03273 0.08561 -0.06506 -0.05974 -0.11763 16 5ZZ 0.25780 0.03352 -0.01441 0.10038 0.37526 17 5XY 0.05702 -0.05617 -0.05921 0.09593 0.14412 18 5XZ 0.12948 0.12402 0.05533 -0.11247 -0.34006 19 5YZ -0.03987 0.01602 -0.45013 -0.00071 -0.10195 20 2 Al 1S -0.01766 -0.00497 0.00483 -0.00106 -0.00433 21 2S 0.08211 0.01860 -0.03457 0.01136 0.03994 22 2PX 0.07455 0.01335 -0.01120 -0.00109 -0.01683 23 2PY 0.00687 0.05117 -0.00560 -0.01139 -0.00029 24 2PZ 0.06759 0.01563 -0.01784 0.00422 0.01071 25 3S -0.32520 -0.11236 0.03447 0.00563 -0.00656 26 3PX -0.55244 -0.10405 0.06180 0.01951 0.15200 27 3PY -0.03452 -0.41495 0.03065 0.09120 0.00248 28 3PZ -0.49343 -0.12426 0.13487 -0.01468 -0.02559 29 4S -1.88428 -0.40630 0.90264 -0.31882 -1.20462 30 4PX -0.77339 0.01924 0.29928 -0.11593 -0.19779 31 4PY 0.13756 -0.92401 0.00802 0.17209 -0.29175 32 4PZ -0.19392 0.01574 0.08666 -0.04540 -0.09259 33 5XX -0.33898 -0.00419 0.07826 -0.06362 -0.13513 34 5YY 0.21637 -0.07817 -0.09027 0.03429 0.16739 35 5ZZ -0.02205 0.04326 0.05594 0.02822 -0.03322 36 5XY -0.08210 -0.29211 0.05535 0.08953 -0.12846 37 5XZ -0.48485 -0.09416 0.12354 0.10102 -0.05143 38 5YZ -0.08074 -0.18313 -0.01328 -0.51181 0.07544 39 3 Br 1S 0.00489 0.00171 0.00011 -0.00071 -0.00319 40 2S -0.04288 -0.01518 -0.00144 0.00557 0.02347 41 3S 0.07473 0.02682 0.00259 -0.00869 -0.03336 42 4S 0.05516 0.01855 0.00317 -0.00911 -0.04512 43 5S -1.95643 -0.74541 0.10508 0.23601 0.82692 44 6S 4.44496 1.68258 -0.22378 -0.51996 -1.81165 45 7PX 0.01400 0.00368 -0.01465 0.00484 0.01666 46 7PY 0.00570 -0.01040 -0.00237 0.00220 0.00511 47 7PZ 0.02108 0.00886 -0.00222 -0.00275 -0.00966 48 8PX -0.04666 -0.01217 0.04846 -0.01620 -0.05560 49 8PY -0.01900 0.03437 0.00807 -0.00713 -0.01706 50 8PZ -0.07117 -0.02991 0.00755 0.00926 0.03233 51 9PX 0.24605 0.05544 -0.22726 0.08883 0.29521 52 9PY 0.09865 -0.15535 -0.04895 0.02758 0.09094 53 9PZ 0.42317 0.17785 -0.05019 -0.05325 -0.17732 54 10PX -0.71403 -0.13234 0.57561 -0.25547 -0.85203 55 10PY -0.27804 0.32353 0.13850 -0.07626 -0.27108 56 10PZ -1.30035 -0.53573 0.15408 0.16133 0.53457 57 11XX -0.01849 -0.01880 -0.00564 0.00123 0.02227 58 11YY 0.02650 0.02911 -0.01159 0.00182 -0.00321 59 11ZZ -0.11185 -0.04744 0.01235 0.00875 0.02557 60 11XY -0.03270 0.01519 -0.00628 0.01509 0.01251 61 11XZ -0.05459 -0.01044 0.03120 -0.02327 -0.06485 62 11YZ -0.02487 0.03230 0.01713 0.00232 -0.02199 63 12XX -0.81183 -0.23905 0.06144 0.09604 0.23697 64 12YY -1.10768 -0.52787 0.09817 0.10402 0.39232 65 12ZZ -0.28548 -0.07851 -0.04291 0.05215 0.19841 66 12XY 0.19725 -0.08135 0.02653 -0.08035 -0.08037 67 12XZ 0.34350 0.06014 -0.19475 0.14266 0.40811 68 12YZ 0.15190 -0.17685 -0.09763 -0.00570 0.13496 69 4 Br 1S -0.00302 0.00065 0.00165 0.00022 0.00461 70 2S 0.01993 -0.00359 -0.01185 -0.00189 -0.03087 71 3S -0.02357 0.00277 0.01612 0.00322 0.03776 72 4S -0.04791 0.01132 0.02446 0.00249 0.07130 73 5S 0.21988 0.04103 -0.25485 -0.23209 -1.04080 74 6S -0.40290 -0.13291 0.56135 0.54335 2.26049 75 7PX -0.00497 0.00014 0.00528 -0.00197 -0.00311 76 7PY 0.00780 -0.00143 -0.00082 -0.00025 -0.00825 77 7PZ -0.00098 -0.00007 -0.00566 -0.00016 0.00062 78 8PX 0.01615 -0.00033 -0.01740 0.00624 0.00955 79 8PY -0.02534 0.00457 0.00268 0.00112 0.02795 80 8PZ 0.00314 0.00023 0.01828 0.00050 -0.00211 81 9PX -0.05272 -0.00896 0.07604 -0.00584 0.01288 82 9PY 0.08475 -0.00846 -0.00803 -0.02957 -0.18471 83 9PZ -0.00952 -0.00104 -0.05976 -0.00127 0.01451 84 10PX 0.03760 0.07091 -0.17642 -0.10203 -0.33188 85 10PY -0.07460 -0.05839 0.01454 0.19846 0.74217 86 10PZ 0.01715 0.01217 0.07326 -0.01244 -0.07236 87 11XX 0.00310 0.00517 -0.01597 -0.00267 -0.01239 88 11YY 0.00338 0.00031 0.00221 -0.01412 -0.06029 89 11ZZ 0.02431 -0.00844 -0.00798 0.01236 0.02352 90 11XY 0.00503 -0.01059 0.00143 0.02079 0.06094 91 11XZ -0.00439 -0.00076 -0.01637 0.00133 -0.00522 92 11YZ 0.00112 -0.00005 0.00537 0.00058 0.00485 93 12XX 0.08848 -0.00929 -0.02870 -0.06881 -0.31954 94 12YY 0.08509 0.01402 -0.13479 0.00137 -0.03178 95 12ZZ -0.04148 0.07431 -0.07245 -0.17092 -0.56590 96 12XY -0.04793 0.07113 -0.00511 -0.14131 -0.40599 97 12XZ 0.02218 0.00215 0.08786 -0.00458 0.03442 98 12YZ -0.00648 0.00154 -0.03228 -0.00495 -0.03244 99 5 Cl 1S 0.00030 0.00157 0.00138 0.00001 0.00605 100 2S -0.00069 -0.00089 -0.00149 0.00167 0.00600 101 2PX -0.00875 -0.00311 -0.00032 0.00641 0.03742 102 2PY 0.00834 0.00457 0.00188 -0.00392 -0.01016 103 2PZ 0.00411 -0.00032 0.02483 -0.00182 0.00090 104 3S 0.00626 0.03797 0.03100 0.00416 0.16673 105 3PX 0.03969 0.01320 0.00140 -0.02985 -0.17800 106 3PY -0.03605 -0.01862 -0.00846 0.01686 0.04369 107 3PZ -0.01973 0.00087 -0.12102 0.00899 -0.00438 108 4S -0.02162 -0.07736 -0.05329 -0.04402 -0.49348 109 4PX -0.08711 -0.03486 -0.01581 0.09164 0.50703 110 4PY 0.08112 0.02306 0.00807 -0.01475 -0.02691 111 4PZ 0.05704 0.01149 0.29967 -0.03041 -0.02203 112 5XX 0.20916 0.06073 -0.06529 -0.01721 -0.18557 113 5YY -0.09529 0.03569 -0.06645 0.03382 0.28704 114 5ZZ -0.11496 -0.09391 0.13462 -0.01277 -0.06694 115 5XY 0.14096 -0.00723 -0.04658 -0.06206 -0.46793 116 5XZ -0.05211 -0.01409 -0.23766 0.03371 0.04526 117 5YZ -0.17886 -0.02720 -0.81181 0.02845 -0.08941 118 6 Cl 1S -0.00960 -0.00268 0.00343 -0.00002 0.00221 119 2S -0.00801 -0.00202 0.00178 -0.00093 -0.00290 120 2PX -0.02772 -0.01117 0.00604 -0.00185 -0.01686 121 2PY -0.00899 0.02450 -0.00555 -0.00899 -0.00664 122 2PZ 0.01792 0.00351 0.00354 0.00062 -0.00085 123 3S -0.26123 -0.07256 0.09234 -0.00271 0.05058 124 3PX 0.12594 0.05268 -0.02945 0.00531 0.07477 125 3PY 0.04263 -0.11709 0.03517 0.05229 0.03224 126 3PZ -0.08857 -0.01768 -0.01405 -0.00545 -0.00542 127 4S 0.76127 0.22228 -0.23240 -0.01458 -0.20943 128 4PX -0.33948 -0.14258 0.10714 -0.00988 -0.20198 129 4PY -0.11472 0.30331 -0.10553 -0.17035 -0.12916 130 4PZ 0.35308 0.09143 -0.00676 0.00747 -0.01694 131 5XX -0.52028 -0.10852 0.06978 -0.06185 0.14915 132 5YY 0.04999 -0.03145 -0.07329 0.02979 -0.26333 133 5ZZ 0.42051 0.12676 0.01631 0.02946 0.11129 134 5XY -0.06550 -0.25265 -0.21103 0.26222 -0.11513 135 5XZ -0.05444 -0.06912 0.09022 0.04030 0.03656 136 5YZ -0.05835 0.30558 -0.21860 -0.23261 -0.03748 137 7 Cl 1S -0.01524 0.01666 0.00621 -0.00632 -0.00484 138 2S -0.00710 -0.00012 0.00232 -0.00071 -0.00211 139 2PX 0.02606 -0.02691 -0.00491 0.00755 -0.00655 140 2PY 0.01693 -0.01768 -0.01050 0.00901 0.01681 141 2PZ 0.00263 -0.00619 -0.00004 -0.00485 0.00437 142 3S -0.39710 0.41598 0.16108 -0.16055 -0.12696 143 3PX -0.12047 0.12499 0.02296 -0.03599 0.03355 144 3PY -0.08582 0.08038 0.05071 -0.04203 -0.08067 145 3PZ -0.01249 0.03021 0.00129 0.03294 -0.02217 146 4S 0.93304 -0.93756 -0.37166 0.36145 0.29051 147 4PX 0.33824 -0.28622 -0.07528 0.09408 -0.07446 148 4PY 0.25598 -0.19049 -0.13435 0.10438 0.21417 149 4PZ 0.06291 -0.06331 -0.02189 -0.12015 0.06034 150 5XX 0.05103 -0.23073 0.07579 0.03526 -0.23392 151 5YY -0.01515 0.24320 -0.04548 -0.04454 0.23102 152 5ZZ -0.11556 0.05687 -0.00040 -0.01678 -0.02038 153 5XY 0.11194 -0.38513 0.04320 0.06675 -0.25906 154 5XZ 0.09689 -0.08826 -0.01627 -0.23176 0.05841 155 5YZ 0.00441 -0.24515 -0.04844 -0.52843 0.10969 156 8 Cl 1S -0.00288 -0.01930 0.00427 0.00178 -0.01189 157 2S -0.00637 -0.00369 0.00238 -0.00054 -0.00340 158 2PX 0.00649 0.03869 -0.00692 -0.00664 0.00775 159 2PY -0.00103 -0.00044 0.00624 -0.00407 -0.02232 160 2PZ -0.00074 0.00578 -0.00038 0.00764 0.00498 161 3S -0.08671 -0.49093 0.11233 0.04359 -0.30767 162 3PX -0.03332 -0.18070 0.03298 0.03196 -0.03722 163 3PY 0.01164 0.00462 -0.03086 0.01907 0.10582 164 3PZ 0.00289 -0.02876 0.00166 -0.04581 -0.02096 165 4S 0.23136 1.13530 -0.26472 -0.09471 0.72027 166 4PX 0.14814 0.46056 -0.10329 -0.07470 0.13012 167 4PY -0.04747 -0.03135 0.07996 -0.04403 -0.25719 168 4PZ 0.03125 0.08475 -0.01535 0.15078 0.04237 169 5XX -0.15752 0.42199 0.07464 -0.20670 -0.24407 170 5YY 0.22134 -0.41323 -0.07741 0.10512 0.20395 171 5ZZ -0.09009 -0.09740 0.02565 0.10728 -0.01193 172 5XY -0.02165 -0.01201 0.03422 0.03765 -0.05449 173 5XZ -0.01744 0.20688 0.03489 0.44183 -0.06641 174 5YZ 0.08906 -0.09112 -0.03543 -0.40289 0.03525 156 157 158 159 160 V V V V V Eigenvalues -- 1.01423 1.03996 1.08232 1.11794 1.23777 1 1 Al 1S -0.01790 0.00121 -0.00900 -0.01125 -0.00185 2 2S 0.04754 -0.11389 0.01227 0.09383 0.01000 3 2PX 0.07805 0.03441 -0.09445 -0.07957 0.01651 4 2PY -0.08056 0.00774 0.04091 0.04156 0.01851 5 2PZ -0.05609 -0.02135 -0.03062 -0.08132 -0.00151 6 3S -0.53771 -0.49658 -0.42215 -0.26726 -0.10787 7 3PX -0.77355 -0.15552 0.79617 0.56001 -0.17874 8 3PY 0.72413 -0.04717 -0.36695 -0.40038 -0.15940 9 3PZ 0.41114 0.10564 0.26907 0.52292 0.00367 10 4S -1.18923 3.30042 0.65403 -1.42655 0.15122 11 4PX 0.34762 -1.67835 -0.12911 0.74877 -0.10710 12 4PY 0.30295 -0.30140 -0.24530 -0.03369 -0.08410 13 4PZ 0.12588 0.12332 -0.02815 0.29510 0.05426 14 5XX 0.01612 -0.04615 0.02627 0.19845 0.14392 15 5YY -0.41165 0.09085 0.32452 0.32038 -0.00573 16 5ZZ 0.34131 0.12619 -0.06886 0.00269 0.05253 17 5XY 0.74131 -0.14367 -0.43751 -0.38180 -0.02781 18 5XZ -0.41756 -0.10090 -0.21251 -0.46048 -0.00072 19 5YZ -0.06385 -0.01710 -0.07040 -0.12297 0.00487 20 2 Al 1S -0.00423 0.00762 -0.02464 0.01169 -0.02457 21 2S 0.01378 0.09458 0.09670 -0.08035 0.05629 22 2PX 0.01769 0.05423 0.05087 0.00343 -0.13451 23 2PY 0.01398 0.01270 0.00404 0.00155 -0.03113 24 2PZ -0.00471 0.04642 -0.07412 0.06226 0.00975 25 3S -0.14266 0.83668 -0.76484 0.30480 -0.98912 26 3PX -0.08566 -0.29841 -0.33999 -0.14474 1.01221 27 3PY -0.08617 -0.07073 -0.02338 -0.03566 0.23532 28 3PZ 0.08429 -0.29971 0.55451 -0.38693 -0.04027 29 4S 0.13412 -3.09889 -1.53481 1.47268 -0.53390 30 4PX 0.01319 -1.78796 -0.68318 0.54287 0.14864 31 4PY -0.22163 -0.40055 -0.04883 0.19106 0.05567 32 4PZ -0.05280 -0.21608 0.10759 -0.26675 -0.02902 33 5XX 0.16043 0.21332 0.01716 -0.16239 0.37992 34 5YY -0.02464 -0.22104 0.13565 -0.08520 -0.54528 35 5ZZ -0.06879 -0.30522 0.23365 -0.16265 0.68599 36 5XY 0.00775 0.10764 0.01062 -0.03422 0.23649 37 5XZ 0.09083 -0.24152 0.49749 -0.35364 -0.15162 38 5YZ 0.03599 -0.05800 0.11507 -0.08365 0.04721 39 3 Br 1S 0.00277 0.00063 0.00383 0.00041 0.00183 40 2S -0.01581 -0.00454 -0.02361 -0.00310 -0.00853 41 3S 0.01274 0.00622 0.02436 0.00475 0.00166 42 4S 0.05156 0.00932 0.06514 0.00509 0.03968 43 5S 0.14559 -0.17413 -0.26849 -0.17242 0.34604 44 6S -0.33871 0.36449 0.55656 0.39836 -0.93107 45 7PX 0.00127 0.03209 0.00578 -0.00527 0.00337 46 7PY -0.00404 0.00892 0.00214 -0.00072 0.00078 47 7PZ -0.00101 0.00270 0.00196 0.00056 -0.00018 48 8PX -0.00480 -0.10649 -0.01864 0.01659 -0.01085 49 8PY 0.01316 -0.02959 -0.00693 0.00220 -0.00246 50 8PZ 0.00419 -0.00904 -0.00630 -0.00209 0.00131 51 9PX 0.06272 0.51922 0.05345 -0.01841 0.02908 52 9PY -0.04601 0.14235 0.02006 0.00036 0.00344 53 9PZ -0.07534 0.04998 0.01530 0.02560 -0.05394 54 10PX -0.22283 -1.43972 -0.07652 -0.05798 -0.02346 55 10PY 0.02302 -0.37604 -0.00603 0.00483 0.01734 56 10PZ 0.25629 -0.14123 -0.12349 -0.13816 0.28986 57 11XX 0.00207 -0.00577 0.00705 0.00412 -0.00153 58 11YY -0.04042 0.00171 -0.02222 0.00159 -0.01718 59 11ZZ 0.02266 -0.00431 -0.01532 -0.01186 0.01801 60 11XY 0.01190 -0.00378 0.00577 -0.00478 0.00436 61 11XZ -0.04614 -0.07079 0.02244 -0.03663 0.01376 62 11YZ 0.00246 -0.02068 0.00505 -0.00922 0.00532 63 12XX 0.07678 -0.04325 -0.12458 -0.09854 0.20213 64 12YY 0.33535 -0.08698 0.05495 -0.08375 0.30423 65 12ZZ -0.03970 -0.04197 0.01853 0.00457 0.07190 66 12XY -0.08091 0.02543 -0.03163 0.03376 -0.02791 67 12XZ 0.28503 0.44905 -0.14223 0.23170 -0.09267 68 12YZ -0.00037 0.12764 -0.03680 0.05373 -0.03654 69 4 Br 1S 0.00069 0.00061 -0.00053 0.00151 0.00126 70 2S -0.00906 -0.00058 0.00484 -0.00886 -0.00677 71 3S 0.02065 -0.00668 -0.00870 0.00803 0.00456 72 4S 0.00209 0.01540 -0.00589 0.02664 0.02367 73 5S -1.42080 0.34850 0.73774 0.35660 0.02023 74 6S 3.40825 -0.95786 -1.77786 -0.92047 -0.14843 75 7PX 0.00174 -0.00912 0.00216 0.00778 0.00106 76 7PY 0.01056 -0.00762 -0.00478 -0.00443 -0.00189 77 7PZ -0.00045 0.00186 -0.00121 0.00171 0.00063 78 8PX -0.00727 0.03034 -0.00636 -0.02502 -0.00342 79 8PY -0.03309 0.02486 0.01490 0.01390 0.00617 80 8PZ 0.00142 -0.00611 0.00402 -0.00562 -0.00206 81 9PX 0.16074 -0.15691 -0.03994 0.05329 0.00717 82 9PY 0.00428 -0.08908 0.00929 0.00308 -0.02089 83 9PZ -0.00009 0.02597 -0.01929 0.02274 0.00859 84 10PX -1.03524 0.50987 0.46683 0.15563 0.03727 85 10PY 0.76935 0.06499 -0.44884 -0.34433 0.01834 86 10PZ -0.05638 -0.05413 0.03906 -0.06877 -0.01789 87 11XX -0.05144 0.02362 0.01627 0.00353 -0.00067 88 11YY -0.02944 -0.01808 0.01910 0.01551 -0.00209 89 11ZZ 0.05094 0.00585 -0.02300 -0.02869 -0.00204 90 11XY 0.11269 -0.01616 -0.05433 -0.04068 -0.00214 91 11XZ -0.00319 -0.00234 0.00404 0.00064 -0.00019 92 11YZ 0.00255 0.00240 -0.00356 -0.00133 0.00037 93 12XX -0.24457 0.02977 0.16598 0.09732 0.02945 94 12YY -0.35086 0.28065 0.13395 0.01031 0.04334 95 12ZZ -0.93502 0.15652 0.45133 0.33118 0.04622 96 12XY -0.77347 0.10843 0.38766 0.30041 0.01861 97 12XZ 0.02657 0.01315 -0.02336 -0.00210 0.00120 98 12YZ -0.02236 -0.01389 0.02223 0.00661 -0.00234 99 5 Cl 1S -0.00544 0.00750 -0.00192 -0.00861 -0.00303 100 2S -0.00283 0.01046 -0.00239 -0.01038 -0.00464 101 2PX -0.02140 0.03209 -0.00173 -0.01345 -0.00106 102 2PY -0.00773 -0.00057 0.00125 -0.00507 -0.00148 103 2PZ 0.00125 -0.00359 0.00397 -0.00278 -0.00129 104 3S -0.14506 0.21639 -0.05383 -0.24641 -0.09137 105 3PX 0.10763 -0.15825 0.00657 0.06491 0.00550 106 3PY 0.03837 -0.00336 -0.00076 0.03458 0.01441 107 3PZ -0.00593 0.01771 -0.01872 0.01258 0.00534 108 4S 0.27348 -0.62879 0.14727 0.68845 0.22652 109 4PX -0.24736 0.49484 -0.04869 -0.25313 -0.01684 110 4PY -0.10771 0.11844 -0.04719 -0.25654 -0.13492 111 4PZ -0.01779 -0.05795 0.03166 -0.05560 -0.00602 112 5XX 0.21298 -0.07915 -0.05743 -0.09779 -0.05177 113 5YY -0.14400 0.16437 0.08302 0.11101 0.09218 114 5ZZ -0.09279 -0.04151 -0.03906 -0.05667 -0.05244 115 5XY 0.41250 -0.33218 -0.01119 0.08106 0.03046 116 5XZ -0.02178 0.05246 0.00492 0.01438 -0.00208 117 5YZ -0.02307 0.01018 -0.03356 -0.01288 -0.00998 118 6 Cl 1S -0.01685 0.00295 -0.03132 -0.00660 0.00568 119 2S -0.01930 0.00838 -0.06177 -0.01694 0.03135 120 2PX 0.01338 -0.05261 -0.02421 0.04594 -0.00750 121 2PY 0.01518 -0.01536 -0.00618 0.00873 -0.00165 122 2PZ 0.02140 -0.00264 0.03133 0.00603 0.00381 123 3S -0.47743 0.09502 -0.95414 -0.21041 0.22149 124 3PX -0.06873 0.24488 0.12911 -0.27300 0.00821 125 3PY -0.07267 0.07307 0.02654 -0.05686 0.00382 126 3PZ -0.11445 0.02391 -0.22059 -0.05132 0.02301 127 4S 1.15630 -0.22105 2.31712 0.51521 -0.61798 128 4PX 0.26171 -0.73957 -0.51083 1.19895 0.16022 129 4PY 0.14908 -0.21446 -0.03483 0.30848 0.01993 130 4PZ 0.41467 -0.12760 1.12599 0.30584 -0.37738 131 5XX 0.17076 -0.01734 0.16308 -0.01828 -0.05649 132 5YY -0.22078 0.12521 -0.72185 -0.16118 0.26206 133 5ZZ -0.03906 -0.08073 0.34860 0.12667 -0.12563 134 5XY 0.04472 -0.05361 0.27041 0.12761 -0.06396 135 5XZ 0.07575 0.02708 -0.21412 0.81499 0.27495 136 5YZ 0.09788 -0.04054 0.03298 0.21371 0.03563 137 7 Cl 1S 0.00236 -0.00095 -0.00900 0.00689 -0.01197 138 2S 0.00242 -0.00806 -0.01064 0.00679 -0.04024 139 2PX 0.01057 0.03727 0.01493 -0.01239 -0.00648 140 2PY -0.00203 -0.01566 0.00630 -0.00800 -0.01196 141 2PZ 0.00341 0.00523 0.00228 0.00424 0.00039 142 3S 0.06601 -0.04413 -0.25565 0.19416 -0.41634 143 3PX -0.04817 -0.18360 -0.07738 0.05997 0.00946 144 3PY 0.01079 0.07062 -0.04097 0.04476 0.00332 145 3PZ -0.01657 -0.02522 -0.01070 -0.01987 -0.00140 146 4S -0.21012 0.23070 0.65765 -0.49124 1.21243 147 4PX 0.08101 0.55207 0.28879 -0.18524 0.17525 148 4PY -0.05506 -0.09540 0.23760 -0.22456 0.69809 149 4PZ 0.03657 0.08308 -0.01120 0.07687 -0.00154 150 5XX 0.07157 0.21114 -0.01438 0.04953 -0.22634 151 5YY -0.06231 -0.33025 0.06620 -0.07980 0.50716 152 5ZZ 0.00248 0.10232 -0.10027 0.06107 -0.36193 153 5XY 0.11127 0.40993 0.19502 -0.08659 0.35894 154 5XZ 0.01253 0.02860 -0.01367 0.01804 0.00399 155 5YZ 0.05220 0.04368 0.03436 0.00235 -0.01295 156 8 Cl 1S -0.00373 -0.00062 -0.00674 0.00873 -0.01142 157 2S -0.00086 -0.00750 -0.00907 0.00825 -0.03913 158 2PX 0.01202 0.02677 0.01663 -0.01371 -0.01040 159 2PY 0.00527 0.02933 0.00244 0.00410 0.00802 160 2PZ 0.00360 0.00257 0.00231 0.00364 -0.00068 161 3S -0.09591 -0.03453 -0.19414 0.24495 -0.39905 162 3PX -0.05984 -0.13399 -0.08683 0.07146 0.00867 163 3PY -0.02538 -0.13930 -0.00391 -0.02468 0.00031 164 3PZ -0.01650 -0.01283 -0.01192 -0.01620 -0.00124 165 4S 0.20743 0.20162 0.49294 -0.62997 1.16164 166 4PX 0.15826 0.44503 0.33230 -0.28613 0.44234 167 4PY 0.06165 0.32404 -0.07462 0.15134 -0.54286 168 4PZ 0.03258 0.05797 0.00330 0.05458 0.06539 169 5XX 0.20890 0.37207 0.11419 -0.04019 0.14227 170 5YY -0.21477 -0.49765 -0.06075 0.01998 0.13084 171 5ZZ -0.01090 0.11111 -0.09208 0.05876 -0.35143 172 5XY -0.03151 -0.01570 -0.14789 0.12424 -0.53994 173 5XZ 0.02149 0.05130 0.02531 0.00199 0.06816 174 5YZ 0.00051 0.04606 -0.04612 0.01486 -0.05782 161 162 163 164 165 V V V V V Eigenvalues -- 1.25750 1.28229 1.65277 1.70103 2.03522 1 1 Al 1S -0.01836 -0.00113 0.00304 0.00233 0.12425 2 2S 0.04431 0.00445 -0.01346 -0.00457 -0.51265 3 2PX 0.05438 0.00292 0.00480 -0.02029 0.00995 4 2PY 0.14952 0.00825 -0.00163 0.02148 0.00329 5 2PZ -0.00093 -0.00017 -0.02269 -0.00514 0.00121 6 3S -0.75304 -0.04108 0.21155 0.05115 6.88711 7 3PX -0.38273 -0.01846 0.17254 -0.02443 -0.07555 8 3PY -1.13773 -0.07177 0.01738 0.03225 0.01264 9 3PZ 0.02849 0.00306 -0.01391 0.00005 -0.01714 10 4S -0.32379 -0.04553 -0.69224 -1.71406 -0.86465 11 4PX 0.00828 -0.01863 0.40209 -0.26118 0.07686 12 4PY -0.44511 0.13255 -0.09646 1.03244 -0.01482 13 4PZ 0.00348 -0.00791 -0.30398 -0.07890 0.01006 14 5XX 0.50266 0.04122 -0.13858 0.01116 -2.83179 15 5YY -0.54801 -0.03723 -0.18723 0.03362 -2.94012 16 5ZZ 0.49602 0.02852 -0.07504 -0.02407 -2.82139 17 5XY -0.33190 -0.04198 0.01545 -0.09844 0.03195 18 5XZ 0.07819 0.00445 -0.05847 -0.00345 0.00749 19 5YZ 0.09916 0.00822 -0.00975 0.00064 0.00999 20 2 Al 1S 0.00290 -0.00009 0.00155 -0.00025 -0.06255 21 2S -0.00193 -0.00036 -0.01062 -0.00857 0.25522 22 2PX 0.00809 -0.03873 -0.00204 -0.00961 0.01288 23 2PY -0.01203 0.17043 -0.00212 0.00026 0.00302 24 2PZ -0.00037 -0.00940 -0.02307 -0.00255 -0.00058 25 3S 0.10355 -0.00763 0.11387 -0.06789 -3.43033 26 3PX -0.01842 0.29256 -0.15718 0.03692 -0.07402 27 3PY 0.09513 -1.27830 -0.03270 -0.01532 -0.01667 28 3PZ -0.00275 0.07054 -0.01768 -0.01736 0.01534 29 4S 0.12643 0.02587 -0.91493 0.14532 0.47119 30 4PX 0.00007 0.12776 -0.33046 0.13146 0.04903 31 4PY 0.17040 -0.50600 -0.03445 -0.35218 0.01911 32 4PZ 0.02527 0.02998 -0.33306 -0.03741 0.00729 33 5XX 0.03286 -0.28610 -0.11267 0.01942 1.34978 34 5YY 0.06734 0.29610 -0.14577 -0.00790 1.44681 35 5ZZ -0.07440 -0.00339 -0.03552 0.01252 1.41077 36 5XY -0.04901 0.71441 0.01210 0.01818 -0.02727 37 5XZ 0.02098 -0.05254 0.05822 0.00071 0.00355 38 5YZ -0.00722 0.04342 0.02014 0.00257 -0.00166 39 3 Br 1S 0.00096 0.00011 -0.06282 -0.01032 0.00157 40 2S -0.00438 -0.00056 0.31201 0.05259 -0.00633 41 3S 0.00051 0.00026 -0.12886 -0.02450 -0.00128 42 4S 0.02120 0.00226 -1.33628 -0.22300 0.03510 43 5S 0.19975 0.01009 -1.85108 -0.50538 -0.06606 44 6S -0.52495 -0.02932 9.57911 2.12098 -0.04567 45 7PX -0.00218 -0.00024 -0.00022 -0.00220 0.00309 46 7PY -0.00045 -0.00015 0.00072 0.00120 0.00040 47 7PZ -0.00040 -0.00002 0.01801 0.00041 -0.00168 48 8PX 0.00688 0.00077 0.00073 0.00744 -0.00925 49 8PY 0.00148 0.00053 -0.00240 -0.00403 -0.00113 50 8PZ 0.00173 0.00007 -0.06007 -0.00156 0.00515 51 9PX -0.00879 -0.00160 -0.00301 -0.04762 -0.03523 52 9PY -0.00737 -0.00700 0.01084 0.02225 -0.01052 53 9PZ -0.03403 -0.00185 0.29104 0.02036 0.00718 54 10PX -0.03917 -0.01164 -0.00762 0.23394 0.06077 55 10PY 0.05816 0.08341 -0.02115 -0.08465 0.01825 56 10PZ 0.15891 0.00527 -0.72894 -0.15542 -0.02118 57 11XX 0.00262 -0.00224 0.03308 0.00347 0.00067 58 11YY -0.01181 0.00136 0.04828 0.01510 0.00653 59 11ZZ 0.00928 0.00062 0.02680 0.00613 -0.00221 60 11XY -0.00307 0.00550 -0.00511 0.00346 -0.00058 61 11XZ -0.01406 -0.00069 0.00069 0.00258 0.02094 62 11YZ -0.00179 -0.00064 -0.00072 -0.00358 0.00414 63 12XX 0.09124 0.02314 -3.09353 -0.54675 0.05375 64 12YY 0.18827 -0.00494 -3.18040 -0.63163 0.01494 65 12ZZ 0.04960 0.00399 -3.04957 -0.57201 0.07045 66 12XY 0.02452 -0.03992 0.03171 -0.03126 0.00382 67 12XZ 0.09544 0.00755 -0.00259 -0.03045 -0.13600 68 12YZ 0.00443 -0.00826 0.00372 0.02451 -0.02700 69 4 Br 1S 0.00044 0.00088 0.00995 -0.06296 -0.00044 70 2S -0.00224 -0.00518 -0.04745 0.31224 0.00923 71 3S 0.00102 0.00476 0.01492 -0.12810 -0.02592 72 4S 0.00928 0.01566 0.20930 -1.33734 0.00793 73 5S 0.22722 -0.05228 0.12091 -1.81868 -0.11686 74 6S -0.62120 0.08758 -1.09058 9.59248 0.06271 75 7PX 0.00045 -0.00043 -0.00340 0.01704 -0.00795 76 7PY -0.00538 -0.00116 0.00506 -0.01317 0.00822 77 7PZ 0.00015 0.00003 -0.00100 0.00035 -0.00015 78 8PX -0.00134 0.00138 0.01115 -0.05668 0.02618 79 8PY 0.01736 0.00377 -0.01670 0.04383 -0.02710 80 8PZ -0.00047 -0.00010 0.00330 -0.00117 0.00049 81 9PX -0.01048 -0.00498 -0.03497 0.26490 -0.05449 82 9PY -0.04557 -0.01190 0.06591 -0.20328 0.05615 83 9PZ 0.00102 0.00011 -0.01684 0.00466 -0.00028 84 10PX 0.17728 0.00348 -0.03117 -0.65930 -0.03003 85 10PY -0.04548 0.00609 -0.08498 0.49508 0.02723 86 10PZ 0.00357 0.00101 0.06776 -0.00585 -0.00306 87 11XX -0.00372 -0.00185 -0.00547 0.02895 0.00898 88 11YY 0.00687 0.00034 -0.00171 0.03629 0.00935 89 11ZZ -0.00435 -0.00424 0.00027 0.04066 0.01780 90 11XY -0.01379 -0.00094 -0.00233 0.01091 0.01014 91 11XZ 0.00099 0.00013 -0.00577 -0.00099 -0.00017 92 11YZ -0.00012 -0.00024 -0.00370 -0.00049 0.00027 93 12XX 0.09772 0.00118 0.46440 -3.05478 0.07123 94 12YY 0.04137 -0.01341 0.42801 -3.10727 0.08060 95 12ZZ 0.12872 0.01625 0.41262 -3.12401 -0.05637 96 12XY 0.10621 0.00943 -0.00256 -0.05916 -0.15401 97 12XZ -0.00639 -0.00095 0.02516 0.00409 0.00410 98 12YZ 0.00177 0.00156 0.02459 0.00374 -0.00494 99 5 Cl 1S -0.01686 0.00012 -0.00165 0.00268 0.00267 100 2S -0.06507 -0.00313 -0.01009 -0.00774 -0.03571 101 2PX 0.00434 -0.00323 -0.00248 0.00883 0.00868 102 2PY 0.03109 0.00273 0.01002 0.00087 0.03200 103 2PZ -0.00179 -0.00020 0.00166 -0.00057 -0.00264 104 3S -0.60832 -0.00480 -0.06915 0.05847 -0.01390 105 3PX 0.00257 0.01441 0.01704 -0.04495 -0.03153 106 3PY -0.05983 -0.00740 -0.04063 0.00281 -0.11945 107 3PZ 0.00222 0.00065 -0.00869 0.00261 0.00999 108 4S 1.87402 0.01755 0.27734 -0.05548 0.11115 109 4PX -0.30858 -0.03168 -0.13832 0.13410 -0.00871 110 4PY -0.99933 -0.05192 -0.02194 -0.13162 0.00245 111 4PZ 0.07947 0.00289 0.06417 0.00396 -0.00199 112 5XX -0.43096 -0.02478 0.00588 -0.05073 -0.09111 113 5YY 0.81649 0.05950 0.00865 0.03767 0.15333 114 5ZZ -0.51077 -0.03883 -0.03116 -0.01029 -0.11009 115 5XY 0.42286 0.02043 0.04098 -0.02282 0.08775 116 5XZ -0.03271 -0.00122 0.01843 0.00703 -0.00707 117 5YZ -0.10910 -0.00720 -0.01536 -0.00182 -0.02274 118 6 Cl 1S 0.00293 0.00009 -0.00818 -0.00268 0.00036 119 2S 0.01603 0.00094 -0.01317 -0.01055 -0.01487 120 2PX 0.00560 0.00086 -0.00076 0.00537 -0.01193 121 2PY 0.00002 -0.00109 0.00099 -0.00230 -0.00245 122 2PZ 0.00182 0.00027 0.00919 -0.00702 -0.00550 123 3S 0.11378 0.00451 -0.26184 -0.09912 -0.01726 124 3PX -0.00556 -0.00287 0.00397 -0.03288 0.00663 125 3PY 0.00380 0.00341 -0.00532 0.01177 -0.00082 126 3PZ 0.01345 0.00015 -0.05053 0.02972 0.00518 127 4S -0.30796 -0.01288 0.72879 0.40805 0.07647 128 4PX -0.12553 -0.01344 -0.03269 0.23303 0.01606 129 4PY 0.01058 0.07135 0.02893 -0.05469 0.01034 130 4PZ -0.19723 -0.01417 0.31309 0.05283 0.01971 131 5XX -0.02685 0.01370 0.01565 0.01620 -0.01081 132 5YY 0.13868 -0.00682 -0.00519 -0.02566 -0.05020 133 5ZZ -0.07022 -0.00450 -0.01661 -0.00627 0.00994 134 5XY -0.01320 -0.03881 0.01085 -0.02162 0.02136 135 5XZ -0.20057 -0.00621 -0.00235 0.03679 0.15760 136 5YZ -0.05027 0.00132 0.00249 -0.01249 0.03974 137 7 Cl 1S -0.00159 0.01127 -0.00178 0.00322 -0.00191 138 2S 0.00100 0.05261 -0.01073 0.00140 0.01749 139 2PX 0.00004 0.00185 -0.00012 0.00373 0.00585 140 2PY 0.00278 0.03331 -0.00858 -0.00187 0.01517 141 2PZ -0.00086 -0.00106 0.00309 0.00023 0.00012 142 3S -0.03916 0.43057 -0.07384 0.09456 -0.01142 143 3PX 0.00025 0.00810 -0.00491 -0.01525 -0.02292 144 3PY -0.01150 -0.08798 0.03323 0.00921 -0.05760 145 3PZ 0.00388 0.00397 -0.01524 -0.00109 -0.00048 146 4S 0.08941 -1.41195 0.29493 -0.25540 -0.02699 147 4PX -0.00108 -0.30811 0.10836 -0.00085 0.00924 148 4PY 0.01074 -0.69689 0.05231 -0.03487 0.00464 149 4PZ -0.00919 -0.00036 0.07270 0.00883 -0.00081 150 5XX -0.00587 0.33280 0.00316 0.00597 0.04431 151 5YY -0.01219 -0.60766 0.01160 0.00458 -0.06994 152 5ZZ 0.01675 0.37034 -0.03345 -0.01560 0.05231 153 5XY -0.01434 -0.32634 0.03456 -0.00172 -0.04748 154 5XZ -0.00112 0.00762 -0.01821 -0.00280 0.00070 155 5YZ 0.00007 0.01403 0.01478 0.00144 0.00017 156 8 Cl 1S 0.00229 -0.01132 -0.00076 -0.00372 -0.00180 157 2S 0.00942 -0.05252 -0.01006 -0.00319 0.01752 158 2PX 0.00579 -0.01585 -0.00332 -0.00019 0.01181 159 2PY -0.00311 0.02906 0.00856 0.00050 -0.01108 160 2PZ -0.00038 -0.00245 0.00210 0.00057 0.00157 161 3S 0.08400 -0.43179 -0.04379 -0.11155 -0.00796 162 3PX -0.01719 0.03039 0.00853 -0.00283 -0.04561 163 3PY 0.00758 -0.08177 -0.03632 -0.00071 0.04168 164 3PZ 0.00271 0.00575 -0.01115 -0.00309 -0.00596 165 4S -0.28079 1.41272 0.21468 0.28860 -0.03580 166 4PX -0.08493 0.57119 0.10868 0.05990 0.01029 167 4PY 0.07783 -0.50202 0.01572 -0.02861 0.00116 168 4PZ -0.02051 0.06490 0.07319 0.01955 -0.00072 169 5XX -0.02802 0.05177 0.02755 0.00947 -0.00743 170 5YY -0.00991 0.21764 -0.01493 -0.00469 -0.01717 171 5ZZ 0.05632 -0.36473 -0.03170 -0.00408 0.05058 172 5XY 0.09763 -0.62434 -0.02377 -0.01603 0.08079 173 5XZ -0.01242 0.06370 -0.00616 -0.00024 -0.00936 174 5YZ 0.01093 -0.07616 -0.02380 -0.00487 0.01045 166 167 168 169 170 V V V V V Eigenvalues -- 2.06051 4.22382 4.25649 4.27587 4.28181 1 1 Al 1S 0.06105 -0.00249 -0.00279 -0.00123 -0.00304 2 2S -0.25183 0.01660 0.01948 -0.00404 0.02135 3 2PX -0.00808 -0.00702 -0.00395 -0.00046 -0.00346 4 2PY -0.00161 0.00023 -0.00570 -0.00077 -0.00734 5 2PZ -0.00042 -0.00293 -0.00025 -0.00088 0.00022 6 3S 3.46478 -0.04696 -0.13818 -0.08658 -0.16300 7 3PX 0.04381 0.10779 0.00660 0.02594 -0.00445 8 3PY 0.03288 0.04877 -0.03913 0.00249 -0.06492 9 3PZ 0.00556 0.06194 0.01817 0.01716 0.01219 10 4S -0.45105 -0.27036 -0.47519 0.15553 -0.49549 11 4PX 0.01819 0.14306 0.09961 -0.07568 0.18122 12 4PY 0.00977 0.11530 -0.02219 -0.05335 -0.33678 13 4PZ 0.01426 0.05995 0.02100 0.01943 0.03116 14 5XX -1.51377 -0.01098 0.03948 0.00255 0.05598 15 5YY -1.49078 0.01580 0.06120 0.00808 0.06917 16 5ZZ -1.39727 0.00117 0.05268 0.00348 0.06620 17 5XY -0.00439 -0.01111 0.00191 -0.00305 -0.00680 18 5XZ 0.00140 -0.03150 -0.00542 -0.01070 -0.00043 19 5YZ 0.00634 -0.00868 -0.00268 -0.00327 -0.00250 20 2 Al 1S 0.12322 -0.00195 -0.00043 -0.00599 0.00040 21 2S -0.50617 0.00913 -0.00329 0.03625 -0.00881 22 2PX -0.00059 0.00406 0.00182 0.01017 -0.00330 23 2PY 0.00004 0.00182 -0.00868 0.00307 0.00635 24 2PZ 0.00019 -0.00243 -0.00007 -0.00014 -0.00072 25 3S 6.90443 -0.03010 -0.02880 -0.33013 0.00843 26 3PX -0.01701 -0.12266 -0.00446 0.01548 -0.02768 27 3PY -0.00515 -0.01501 -0.08306 0.01290 0.06225 28 3PZ -0.00525 0.05832 0.01569 0.02344 0.00001 29 4S -0.81306 -0.07803 0.11897 -0.87069 0.24375 30 4PX -0.01734 -0.12449 0.10040 -0.13319 -0.00370 31 4PY -0.00635 -0.01785 -0.25969 0.01246 0.36791 32 4PZ 0.01625 0.06017 0.02855 0.02294 -0.01312 33 5XX -2.90123 -0.02796 -0.00525 0.10194 -0.01349 34 5YY -2.93780 0.00446 -0.00243 0.13223 -0.01860 35 5ZZ -2.80220 -0.01072 -0.00505 0.11802 -0.01827 36 5XY 0.00923 -0.00519 -0.00243 -0.00827 -0.00268 37 5XZ -0.01194 0.03138 0.00791 0.00625 0.00397 38 5YZ 0.00607 0.00617 -0.00032 0.00052 0.00263 39 3 Br 1S 0.00332 -0.00094 -0.00029 -0.00047 -0.00014 40 2S -0.01115 0.01329 0.00363 0.00541 0.00159 41 3S -0.00993 -0.02929 -0.00743 -0.01045 -0.00300 42 4S 0.07620 -0.02022 -0.00710 -0.01213 -0.00383 43 5S -0.24835 -0.18649 -0.11165 -0.21525 -0.07464 44 6S 0.08483 0.51111 0.30356 0.58305 0.20322 45 7PX -0.00106 -0.00042 -0.00068 0.00163 -0.00114 46 7PY -0.00057 0.00023 -0.00122 0.00039 -0.00024 47 7PZ -0.00507 0.00089 0.00006 -0.00002 -0.00008 48 8PX 0.00326 0.00143 0.00230 -0.00556 0.00387 49 8PY 0.00178 -0.00079 0.00416 -0.00132 0.00082 50 8PZ 0.01556 -0.00306 -0.00025 -0.00003 0.00024 51 9PX 0.00743 -0.00843 -0.01347 0.03256 -0.02291 52 9PY 0.00234 0.00508 -0.02555 0.00811 -0.00480 53 9PZ 0.02637 0.02060 0.00517 0.00735 0.00131 54 10PX -0.00642 0.03367 0.06045 -0.13347 0.09676 55 10PY -0.00610 -0.01927 0.09276 -0.03609 0.02042 56 10PZ -0.08350 -0.10720 -0.05016 -0.08868 -0.02811 57 11XX 0.00774 0.01695 0.00321 0.00506 0.00307 58 11YY 0.02089 0.01381 0.00488 0.00591 0.00008 59 11ZZ -0.00615 0.01423 0.00342 0.00520 0.00155 60 11XY -0.00388 0.00139 0.00124 -0.00090 -0.00433 61 11XZ -0.00578 0.00057 0.00033 -0.00202 0.00167 62 11YZ -0.00314 -0.00061 0.00325 -0.00058 0.00020 63 12XX 0.07276 -0.11300 -0.04814 -0.09876 -0.04536 64 12YY -0.01925 -0.09400 -0.06130 -0.10562 -0.02359 65 12ZZ 0.15823 -0.08595 -0.04797 -0.09628 -0.03318 66 12XY 0.02684 -0.00924 -0.00905 0.00700 0.03200 67 12XZ 0.03943 -0.00499 -0.00456 0.01783 -0.01465 68 12YZ 0.02104 0.00490 -0.02349 0.00521 -0.00211 69 4 Br 1S -0.00081 -0.00019 -0.00029 0.00010 0.00083 70 2S 0.00730 0.00214 0.00279 -0.00095 -0.01140 71 3S -0.01319 -0.00402 -0.00477 0.00187 0.02525 72 4S -0.01005 -0.00516 -0.00746 0.00161 0.01612 73 5S -0.13322 -0.08696 -0.11694 0.01382 0.09230 74 6S 0.25600 0.23306 0.31407 -0.04741 -0.26784 75 7PX -0.00317 0.00080 0.00029 -0.00010 -0.00032 76 7PY 0.00427 0.00068 -0.00076 0.00012 -0.00036 77 7PZ -0.00013 0.00016 0.00010 0.00009 0.00011 78 8PX 0.01037 -0.00275 -0.00101 0.00032 0.00109 79 8PY -0.01405 -0.00226 0.00261 -0.00037 0.00126 80 8PZ 0.00044 -0.00055 -0.00036 -0.00030 -0.00036 81 9PX -0.01161 0.01830 0.00757 -0.00125 -0.00676 82 9PY 0.02761 0.01036 -0.01559 0.00100 -0.00794 83 9PZ -0.00051 0.00414 0.00229 0.00196 0.00223 84 10PX -0.05666 -0.07534 -0.04323 0.00833 0.02253 85 10PY 0.02153 -0.01899 0.05694 -0.00102 0.02677 86 10PZ -0.00381 -0.01946 -0.00871 -0.00713 -0.00763 87 11XX 0.00242 -0.00057 0.00341 -0.00118 -0.01072 88 11YY 0.00492 0.00436 0.00154 -0.00112 -0.01482 89 11ZZ 0.01039 0.00260 0.00215 -0.00013 -0.01233 90 11XY 0.00549 0.00010 0.00157 -0.00015 0.00046 91 11XZ 0.00004 0.00000 -0.00017 -0.00017 -0.00019 92 11YZ 0.00044 0.00094 0.00035 0.00033 0.00038 93 12XX -0.00851 -0.02160 -0.06509 0.01030 0.04455 94 12YY -0.01815 -0.05877 -0.05339 0.00986 0.07250 95 12ZZ -0.09485 -0.04442 -0.05833 0.00395 0.05656 96 12XY -0.08110 -0.00131 -0.00997 0.00084 -0.00137 97 12XZ 0.00184 0.00162 0.00145 0.00144 0.00139 98 12YZ -0.00447 -0.00640 -0.00245 -0.00223 -0.00264 99 5 Cl 1S 0.00063 -0.04132 0.09925 0.01045 0.12808 100 2S -0.01828 0.19680 -0.48644 -0.05226 -0.63885 101 2PX 0.00339 -0.00018 -0.00377 -0.00042 -0.00397 102 2PY 0.01662 0.00290 -0.00455 0.00003 -0.00627 103 2PZ -0.00119 -0.00055 0.00018 -0.00015 0.00043 104 3S -0.02911 -1.32972 3.18672 0.33575 4.11471 105 3PX -0.00999 0.00269 0.02038 0.00248 0.02297 106 3PY -0.06076 -0.01401 0.02726 0.00100 0.03776 107 3PZ 0.00449 0.00372 -0.00104 0.00099 -0.00266 108 4S 0.08562 -0.06318 0.34966 0.04367 0.62573 109 4PX -0.02408 -0.02963 -0.07303 -0.00698 -0.10409 110 4PY -0.00459 0.03133 -0.12302 -0.01058 -0.18051 111 4PZ -0.00266 -0.02205 0.00365 -0.00520 0.01211 112 5XX -0.03977 0.60416 -1.46734 -0.15589 -1.92361 113 5YY 0.07873 0.59140 -1.45558 -0.15509 -1.90531 114 5ZZ -0.05986 0.59981 -1.47183 -0.15948 -1.92440 115 5XY 0.04687 0.00402 0.00802 0.00225 0.01253 116 5XZ -0.00392 0.00004 -0.00070 0.00028 -0.00127 117 5YZ -0.01076 0.00474 -0.00049 0.00077 -0.00153 118 6 Cl 1S 0.00087 0.15317 0.03546 0.05230 0.01641 119 2S -0.04564 -0.76740 -0.18285 -0.27352 -0.08638 120 2PX 0.00488 0.00068 0.00166 -0.00377 0.00265 121 2PY 0.00036 0.00015 0.00236 -0.00083 0.00054 122 2PZ -0.01656 0.00854 0.00066 0.00025 -0.00008 123 3S -0.06140 4.91113 1.13448 1.67152 0.52399 124 3PX -0.00558 -0.00395 -0.00940 0.02246 -0.01559 125 3PY -0.00112 -0.00074 -0.01571 0.00468 -0.00330 126 3PZ 0.01891 -0.05580 -0.00706 -0.00764 -0.00176 127 4S 0.24990 0.72237 0.25415 0.43681 0.14837 128 4PX 0.00215 0.02131 0.05524 -0.13145 0.08986 129 4PY 0.00449 0.00138 0.08946 -0.02410 0.02216 130 4PZ 0.06517 0.26266 0.06660 0.10836 0.03668 131 5XX -0.00801 -2.28433 -0.53553 -0.79933 -0.25840 132 5YY -0.16112 -2.32467 -0.54982 -0.81732 -0.25090 133 5ZZ 0.02005 -2.27573 -0.53925 -0.80310 -0.25283 134 5XY 0.03774 0.00921 -0.00221 0.00644 0.01758 135 5XZ -0.05581 0.00098 0.00160 -0.00690 0.00365 136 5YZ -0.00043 0.00077 0.01204 -0.00066 0.00121 137 7 Cl 1S 0.00224 -0.02543 -0.09846 0.12032 0.05719 138 2S -0.03524 0.12097 0.48249 -0.59729 -0.28567 139 2PX -0.00956 0.00116 -0.00385 0.00360 0.00212 140 2PY -0.03125 -0.00257 -0.00402 0.00646 0.00182 141 2PZ 0.00010 -0.00032 -0.00026 -0.00024 0.00008 142 3S -0.02520 -0.81851 -3.16321 3.86343 1.83858 143 3PX 0.03384 -0.00780 0.02117 -0.02018 -0.01282 144 3PY 0.11599 0.01271 0.02257 -0.03981 -0.01096 145 3PZ -0.00017 0.00243 0.00170 0.00163 -0.00050 146 4S 0.11360 -0.03927 -0.35716 0.53538 0.28476 147 4PX 0.01494 0.04262 -0.07971 0.08568 0.05712 148 4PY -0.00071 -0.03483 -0.09336 0.19155 0.05264 149 4PZ -0.00314 -0.01711 -0.00801 -0.00944 0.00215 150 5XX -0.07808 0.37553 1.45502 -1.80110 -0.85707 151 5YY 0.14675 0.36029 1.44751 -1.77968 -0.85478 152 5ZZ -0.11380 0.36823 1.45963 -1.80072 -0.86216 153 5XY 0.09913 0.00613 -0.01089 0.00778 0.01035 154 5XZ 0.00013 -0.00031 -0.00060 -0.00031 0.00006 155 5YZ -0.00331 -0.00334 -0.00156 -0.00189 0.00056 156 8 Cl 1S 0.00216 -0.04681 0.08626 0.10301 -0.08863 157 2S -0.03526 0.22330 -0.42299 -0.51118 0.44211 158 2PX -0.02193 -0.00121 0.00461 0.00514 -0.00452 159 2PY 0.02412 0.00299 -0.00085 -0.00399 0.00227 160 2PZ -0.00293 -0.00070 0.00024 0.00025 -0.00053 161 3S -0.02784 -1.50482 2.77105 3.30722 -2.84796 162 3PX 0.07992 0.00446 -0.02618 -0.03012 0.02650 163 3PY -0.09032 -0.01579 0.00568 0.02552 -0.01317 164 3PZ 0.01112 0.00444 -0.00141 -0.00146 0.00323 165 4S 0.11963 -0.07949 0.30899 0.45353 -0.43982 166 4PX 0.01473 0.00578 0.10118 0.13603 -0.12360 167 4PY 0.00616 0.05334 -0.03187 -0.12754 0.06171 168 4PZ -0.00338 -0.02335 0.00527 0.00602 -0.01492 169 5XX 0.02856 0.68478 -1.26382 -1.53511 1.32075 170 5YY 0.03886 0.66972 -1.27841 -1.52908 1.33046 171 5ZZ -0.11182 0.67902 -1.28144 -1.54117 1.33102 172 5XY -0.16228 0.00412 -0.00914 -0.01237 0.01098 173 5XZ 0.01954 -0.00219 0.00161 0.00022 -0.00221 174 5YZ -0.01920 0.00424 -0.00050 -0.00001 0.00123 171 172 173 174 V V V V Eigenvalues -- 8.71748 8.76936 75.91145 76.87048 1 1 Al 1S -0.00104 0.00123 0.00164 0.00100 2 2S 0.00322 -0.00303 -0.00339 -0.00306 3 2PX 0.00350 -0.00265 -0.00229 0.00127 4 2PY -0.00127 0.00367 0.00081 0.00094 5 2PZ -0.00762 -0.00357 0.00596 -0.00914 6 3S -0.06803 0.06223 0.12648 0.06574 7 3PX 0.04064 0.01001 -0.03962 0.03579 8 3PY 0.00906 0.00298 -0.00794 0.00941 9 3PZ 0.00289 0.00166 -0.00491 0.00855 10 4S -0.09080 -0.74126 -0.45739 -0.99910 11 4PX 0.19400 -0.09203 -0.32539 0.02315 12 4PY -0.13768 0.40839 0.48891 0.40625 13 4PZ -0.13421 -0.07413 0.11402 -0.20453 14 5XX 0.01747 -0.00580 -0.02725 -0.00677 15 5YY -0.00051 0.00012 -0.00127 -0.01499 16 5ZZ 0.03375 -0.00873 -0.04389 0.00475 17 5XY 0.01234 -0.02231 -0.02540 -0.01285 18 5XZ -0.02111 -0.00641 0.02089 -0.02491 19 5YZ -0.00362 -0.00097 0.00378 -0.00417 20 2 Al 1S -0.00056 0.00014 0.00047 0.00016 21 2S 0.00139 -0.00414 -0.00267 -0.00606 22 2PX -0.00111 -0.00305 -0.00141 -0.00385 23 2PY -0.00074 -0.00076 0.00017 -0.00128 24 2PZ -0.00774 -0.00311 0.00629 -0.00857 25 3S -0.04014 -0.01710 0.01612 -0.02225 26 3PX -0.04249 -0.00224 0.04628 -0.02952 27 3PY -0.00837 -0.00271 0.00829 -0.00736 28 3PZ 0.00301 -0.00375 -0.00953 0.00166 29 4S -0.34741 -0.04958 0.38172 -0.34246 30 4PX -0.13936 0.01058 0.17401 -0.09867 31 4PY 0.01756 -0.14292 -0.13092 -0.16495 32 4PZ -0.14998 -0.05952 0.14464 -0.19896 33 5XX 0.00985 0.00281 -0.00379 0.00378 34 5YY 0.00097 -0.00487 0.00219 -0.01338 35 5ZZ 0.02760 0.00547 -0.02265 0.01982 36 5XY 0.00261 0.00589 0.00088 0.00943 37 5XZ 0.02046 0.00693 -0.02017 0.02453 38 5YZ 0.00626 0.00235 -0.00595 0.00778 39 3 Br 1S 0.10696 0.04627 0.54583 -0.78531 40 2S -1.68492 -0.72259 1.95582 -2.82739 41 3S 5.16230 2.21717 -6.00514 8.68741 42 4S -1.97107 -0.86443 -11.43346 16.42949 43 5S 1.67603 0.62487 -4.51904 6.30838 44 6S 4.34296 2.13888 -4.16197 6.64978 45 7PX 0.00009 -0.00071 -0.00060 -0.00073 46 7PY 0.00008 0.00053 0.00031 0.00067 47 7PZ 0.00520 0.00166 -0.00449 0.00536 48 8PX -0.00033 0.00243 0.00214 0.00258 49 8PY -0.00028 -0.00179 -0.00109 -0.00235 50 8PZ -0.01754 -0.00563 0.01577 -0.01887 51 9PX 0.00295 -0.01574 -0.01462 -0.01616 52 9PY 0.00098 0.00986 0.00660 0.01280 53 9PZ 0.08610 0.03116 -0.07761 0.09951 54 10PX -0.02294 0.08174 0.08657 0.08005 55 10PY 0.00188 -0.03740 -0.03243 -0.04553 56 10PZ -0.22790 -0.11879 0.18390 -0.31186 57 11XX -1.80816 -0.77225 8.85242 -12.76149 58 11YY -1.80636 -0.76865 8.85296 -12.75640 59 11ZZ -1.80852 -0.77146 8.85309 -12.76053 60 11XY -0.00114 0.00079 0.00176 0.00014 61 11XZ -0.00005 0.00047 0.00024 0.00036 62 11YZ 0.00014 -0.00091 -0.00079 -0.00089 63 12XX -1.80699 -0.80938 2.05531 -3.05036 64 12YY -1.81791 -0.83879 2.04592 -3.09034 65 12ZZ -1.80209 -0.81747 2.04561 -3.05857 66 12XY 0.00918 -0.00847 -0.01623 -0.00374 67 12XZ 0.00208 -0.00784 -0.00702 -0.00672 68 12YZ -0.00131 0.00725 0.00692 0.00731 69 4 Br 1S -0.04552 0.10698 -0.78052 -0.54881 70 2S 0.72320 -1.68468 -2.79587 -1.97510 71 3S -2.21236 5.16123 8.58390 6.06812 72 4S 0.82666 -1.97012 16.35131 11.48360 73 5S -0.77905 1.63437 6.38805 4.38267 74 6S -1.68814 4.47241 6.16635 4.72495 75 7PX -0.00181 0.00463 0.00506 0.00384 76 7PY 0.00209 -0.00359 -0.00467 -0.00252 77 7PZ -0.00044 -0.00006 0.00046 -0.00040 78 8PX 0.00610 -0.01565 -0.01782 -0.01353 79 8PY -0.00703 0.01209 0.01643 0.00889 80 8PZ 0.00148 0.00019 -0.00162 0.00141 81 9PX -0.02760 0.07984 0.09101 0.07421 82 9PY 0.03326 -0.06042 -0.08386 -0.04808 83 9PZ -0.00780 -0.00125 0.00853 -0.00764 84 10PX 0.04168 -0.23553 -0.23264 -0.25777 85 10PY -0.06887 0.17249 0.21970 0.16435 86 10PZ 0.03076 0.00757 -0.03248 0.03349 87 11XX 0.78004 -1.80870 -12.65869 -8.91735 88 11YY 0.78014 -1.80660 -12.65725 -8.91516 89 11ZZ 0.78075 -1.80632 -12.65761 -8.91421 90 11XY -0.00099 0.00153 0.00238 0.00108 91 11XZ -0.00138 -0.00057 0.00122 -0.00173 92 11YZ -0.00095 -0.00044 0.00076 -0.00114 93 12XX 0.74576 -1.80770 -2.94571 -2.12920 94 12YY 0.74101 -1.82515 -2.95315 -2.15112 95 12ZZ 0.73721 -1.82613 -2.95081 -2.15715 96 12XY 0.00314 -0.01150 -0.01369 -0.01220 97 12XZ 0.00609 0.00241 -0.00564 0.00787 98 12YZ 0.00727 0.00337 -0.00600 0.00904 99 5 Cl 1S -0.00013 -0.00035 0.00034 -0.00032 100 2S -0.00493 0.00231 0.00552 -0.00162 101 2PX -0.00197 0.00280 0.00454 0.00199 102 2PY 0.00188 0.00013 -0.00221 0.00130 103 2PZ 0.00104 0.00022 -0.00113 0.00113 104 3S -0.00617 -0.01831 0.00913 -0.01976 105 3PX 0.01099 -0.01481 -0.02480 -0.01044 106 3PY -0.00918 0.00082 0.01199 -0.00520 107 3PZ -0.00519 -0.00104 0.00568 -0.00555 108 4S 0.09806 -0.00384 -0.12226 0.06743 109 4PX -0.06109 0.04255 0.10797 0.00946 110 4PY 0.00493 -0.04944 -0.04399 -0.05693 111 4PZ 0.02819 0.01037 -0.02703 0.03514 112 5XX -0.00510 0.00610 0.00509 0.00121 113 5YY -0.01168 0.01873 0.01980 0.01077 114 5ZZ -0.01156 0.01074 0.01466 0.00180 115 5XY 0.00529 -0.00225 -0.00656 0.00113 116 5XZ 0.00279 0.00187 -0.00189 0.00403 117 5YZ -0.00214 -0.00097 0.00150 -0.00237 118 6 Cl 1S 0.00020 -0.00021 0.00005 -0.00098 119 2S -0.01222 -0.01013 0.00457 -0.01627 120 2PX -0.00065 0.00183 0.00217 0.00173 121 2PY 0.00064 -0.00099 -0.00156 -0.00075 122 2PZ 0.00411 -0.00058 -0.00528 0.00272 123 3S 0.00604 -0.01260 -0.00157 -0.03929 124 3PX 0.00375 -0.01073 -0.01244 -0.01011 125 3PY -0.00323 0.00511 0.00804 0.00399 126 3PZ -0.01981 0.00246 0.02581 -0.01329 127 4S 0.17949 0.19905 -0.06002 0.36468 128 4PX -0.02957 0.07750 0.09197 0.07105 129 4PY 0.01610 -0.02314 -0.03862 -0.01765 130 4PZ 0.09668 0.04840 -0.07977 0.12926 131 5XX -0.02684 -0.01369 0.01361 -0.02209 132 5YY -0.02508 -0.02152 0.00698 -0.02920 133 5ZZ -0.03388 -0.01979 0.01828 -0.03476 134 5XY 0.00183 -0.00390 -0.00452 -0.00294 135 5XZ -0.00179 0.00519 0.00496 0.00420 136 5YZ 0.00046 -0.00232 -0.00193 -0.00225 137 7 Cl 1S -0.00019 -0.00019 0.00053 -0.00016 138 2S -0.00587 0.00501 0.00833 0.00067 139 2PX 0.00017 0.00108 0.00061 0.00144 140 2PY -0.00141 -0.00085 0.00101 -0.00191 141 2PZ 0.00130 0.00051 -0.00121 0.00167 142 3S -0.01030 -0.00765 0.02192 -0.00971 143 3PX -0.00192 -0.00491 -0.00175 -0.00735 144 3PY 0.00617 0.00432 -0.00430 0.00943 145 3PZ -0.00658 -0.00258 0.00617 -0.00844 146 4S 0.11881 -0.06700 -0.19040 0.00897 147 4PX 0.03688 0.00819 -0.03611 0.03760 148 4PY 0.02032 -0.00788 -0.02924 0.00623 149 4PZ 0.03091 0.01285 -0.02835 0.04042 150 5XX -0.00798 0.01523 0.01343 0.00857 151 5YY -0.00942 0.01469 0.01430 0.00756 152 5ZZ -0.01202 0.01046 0.01450 0.00089 153 5XY 0.00371 0.00050 -0.00339 0.00287 154 5XZ -0.00270 -0.00114 0.00223 -0.00317 155 5YZ 0.00254 0.00101 -0.00189 0.00263 156 8 Cl 1S -0.00025 -0.00005 -0.00003 -0.00059 157 2S -0.00110 -0.00703 -0.00256 -0.00750 158 2PX -0.00013 -0.00017 -0.00001 -0.00025 159 2PY 0.00176 0.00062 -0.00152 0.00197 160 2PZ 0.00109 0.00054 -0.00095 0.00155 161 3S -0.01229 -0.00298 0.00231 -0.02451 162 3PX -0.00004 -0.00030 -0.00020 -0.00026 163 3PY -0.00855 -0.00271 0.00789 -0.00956 164 3PZ -0.00552 -0.00285 0.00474 -0.00798 165 4S 0.04655 0.11528 0.03074 0.17451 166 4PX 0.03256 0.02680 -0.01829 0.05600 167 4PY 0.00739 -0.00509 -0.01209 -0.00039 168 4PZ 0.03024 0.01620 -0.02510 0.04394 169 5XX 0.00557 -0.01295 -0.01129 -0.00656 170 5YY -0.00004 -0.01654 -0.00809 -0.01355 171 5ZZ -0.00095 -0.01586 -0.00624 -0.01379 172 5XY -0.00098 -0.00216 -0.00021 -0.00302 173 5XZ -0.00108 -0.00034 0.00108 -0.00128 174 5YZ -0.00349 -0.00177 0.00253 -0.00420 Density Matrix: 1 2 3 4 5 1 1 Al 1S 2.12843 2 2S -0.53049 2.19003 3 2PX -0.00162 0.00662 1.99906 4 2PY -0.00035 0.00102 -0.00243 2.00897 5 2PZ 0.00001 0.00008 -0.00004 -0.00097 1.99280 6 3S -0.03891 -0.09642 -0.02719 -0.00658 0.00008 7 3PX 0.00335 -0.01201 -0.00572 0.00598 -0.00005 8 3PY 0.00121 -0.00410 0.00568 -0.03078 0.00236 9 3PZ -0.00025 0.00102 -0.00019 0.00228 0.00870 10 4S 0.00872 -0.01206 0.00513 0.00666 -0.00445 11 4PX 0.00028 -0.00132 -0.02061 -0.00217 0.00125 12 4PY -0.00041 0.00222 -0.00064 -0.00810 -0.00039 13 4PZ 0.00005 -0.00050 0.00067 -0.00057 -0.01911 14 5XX 0.02536 -0.02598 0.00345 0.00656 -0.00022 15 5YY 0.02797 -0.03805 -0.00168 -0.00751 0.00021 16 5ZZ 0.02418 -0.01925 0.01003 0.00327 0.00037 17 5XY -0.00032 0.00191 0.00357 -0.01040 0.00093 18 5XZ 0.00031 -0.00126 0.00086 0.00086 0.00375 19 5YZ -0.00018 0.00097 0.00085 0.00142 -0.00005 20 2 Al 1S -0.00006 0.00014 0.00023 0.00005 -0.00009 21 2S 0.00014 -0.00037 -0.00115 -0.00026 0.00041 22 2PX -0.00023 0.00105 -0.00454 -0.00108 0.00088 23 2PY -0.00007 0.00030 -0.00121 0.00036 -0.00002 24 2PZ -0.00010 0.00044 -0.00085 -0.00041 -0.00329 25 3S -0.00139 0.00494 0.00055 0.00009 -0.00067 26 3PX -0.00051 0.00197 0.00870 0.00195 -0.00281 27 3PY -0.00007 0.00028 0.00243 -0.00093 -0.00005 28 3PZ 0.00027 -0.00166 0.00235 0.00111 0.00894 29 4S -0.00112 -0.00007 -0.01220 -0.00293 -0.00032 30 4PX -0.00097 0.00072 -0.00290 -0.00097 -0.00043 31 4PY -0.00004 -0.00075 -0.00148 -0.00031 -0.00008 32 4PZ -0.00028 0.00040 -0.00024 -0.00003 0.00014 33 5XX 0.00101 -0.00440 0.00715 0.00210 -0.00103 34 5YY 0.00017 -0.00106 -0.00102 -0.00086 0.00031 35 5ZZ -0.00149 0.00636 -0.00614 -0.00133 -0.00035 36 5XY 0.00027 -0.00109 0.00276 -0.00093 -0.00013 37 5XZ 0.00041 -0.00198 0.00145 0.00056 0.00208 38 5YZ -0.00001 0.00003 0.00005 -0.00002 0.00039 39 3 Br 1S -0.00009 0.00045 -0.00098 -0.00013 0.00092 40 2S 0.00038 -0.00249 0.00624 0.00080 -0.00674 41 3S -0.00010 0.00218 -0.00697 -0.00083 0.00892 42 4S -0.00083 0.00418 -0.01348 -0.00173 0.01547 43 5S -0.00373 0.00835 0.01016 0.00121 -0.01634 44 6S 0.00955 -0.01704 0.00745 0.00044 0.00005 45 7PX 0.00210 -0.00856 0.00752 0.00176 -0.00990 46 7PY 0.00041 -0.00160 0.00183 -0.00239 -0.00170 47 7PZ -0.00169 0.00851 -0.00869 -0.00141 0.00747 48 8PX -0.00635 0.02948 -0.02271 -0.00541 0.03050 49 8PY -0.00121 0.00557 -0.00557 0.00773 0.00524 50 8PZ 0.00544 -0.02617 0.02713 0.00445 -0.02297 51 9PX 0.01129 -0.05326 0.04214 0.00991 -0.05577 52 9PY 0.00218 -0.01015 0.01026 -0.01352 -0.00964 53 9PZ -0.00941 0.04519 -0.04906 -0.00801 0.04212 54 10PX 0.00930 -0.04067 0.03157 0.00714 -0.04258 55 10PY 0.00169 -0.00778 0.00750 -0.01156 -0.00696 56 10PZ -0.00964 0.03704 -0.03915 -0.00606 0.03512 57 11XX -0.00008 -0.00064 0.00420 0.00024 -0.00348 58 11YY 0.00043 -0.00275 0.00369 0.00074 -0.00427 59 11ZZ -0.00035 0.00046 0.00111 0.00006 -0.00377 60 11XY -0.00008 0.00026 -0.00008 0.00086 0.00009 61 11XZ 0.00073 -0.00364 0.00035 0.00029 -0.00107 62 11YZ 0.00011 -0.00056 0.00020 -0.00115 -0.00014 63 12XX -0.00142 0.00162 -0.00251 0.00041 -0.00560 64 12YY -0.00296 0.00766 -0.00209 -0.00121 -0.00087 65 12ZZ -0.00047 -0.00272 0.00723 0.00096 -0.00514 66 12XY 0.00023 -0.00080 0.00037 -0.00265 -0.00072 67 12XZ -0.00235 0.01054 -0.00389 -0.00133 0.00569 68 12YZ -0.00034 0.00157 -0.00114 0.00348 0.00079 69 4 Br 1S -0.00015 0.00121 0.00171 -0.00185 0.00003 70 2S 0.00138 -0.00807 -0.01137 0.01226 -0.00024 71 3S -0.00203 0.00969 0.01356 -0.01444 0.00032 72 4S -0.00299 0.01537 0.02376 -0.02576 0.00051 73 5S 0.00113 -0.01306 -0.02628 0.02708 -0.00102 74 6S 0.00012 0.01291 0.00813 -0.00526 0.00185 75 7PX -0.00303 0.01434 0.00590 -0.01410 0.00048 76 7PY 0.00320 -0.01575 -0.01363 0.00899 -0.00064 77 7PZ -0.00011 0.00053 0.00043 -0.00061 -0.00760 78 8PX 0.00946 -0.04629 -0.01711 0.04238 -0.00145 79 8PY -0.01023 0.04761 0.04077 -0.02628 0.00197 80 8PZ 0.00035 -0.00155 -0.00130 0.00181 0.02332 81 9PX -0.01679 0.08302 0.03111 -0.07684 0.00262 82 9PY 0.01819 -0.08390 -0.07421 0.04800 -0.00356 83 9PZ -0.00062 0.00272 0.00239 -0.00332 -0.04222 84 10PX -0.01288 0.05708 0.02169 -0.05622 0.00137 85 10PY 0.01400 -0.05703 -0.05382 0.03161 -0.00238 86 10PZ -0.00045 0.00182 0.00155 -0.00230 -0.03403 87 11XX 0.00100 -0.00340 -0.00678 0.00573 -0.00010 88 11YY 0.00084 -0.00353 -0.00540 0.00728 -0.00015 89 11ZZ 0.00172 -0.00661 -0.00632 0.00670 -0.00020 90 11XY 0.00091 -0.00382 -0.00017 0.00036 -0.00007 91 11XZ -0.00002 0.00005 0.00003 -0.00001 -0.00078 92 11YZ 0.00003 -0.00008 -0.00005 -0.00002 0.00074 93 12XX 0.00115 -0.00776 -0.00355 0.00898 -0.00049 94 12YY 0.00145 -0.00889 -0.00981 0.00309 -0.00039 95 12ZZ -0.00063 0.00104 -0.00287 0.00257 -0.00011 96 12XY -0.00225 0.01100 0.00416 -0.00437 0.00025 97 12XZ 0.00003 -0.00016 -0.00021 0.00015 0.00363 98 12YZ -0.00005 0.00026 0.00027 -0.00007 -0.00363 99 5 Cl 1S 0.00045 -0.00222 -0.00122 -0.00470 0.00037 100 2S -0.00212 0.01019 0.00545 0.02085 -0.00165 101 2PX 0.00305 -0.01524 0.01333 -0.01756 0.00134 102 2PY 0.01097 -0.05123 -0.01641 -0.04980 0.00488 103 2PZ -0.00079 0.00372 0.00125 0.00499 0.01997 104 3S 0.00322 -0.01428 -0.01089 -0.04225 0.00330 105 3PX -0.00754 0.03921 -0.03396 0.04443 -0.00340 106 3PY -0.02740 0.12673 0.04165 0.12614 -0.01240 107 3PZ 0.00196 -0.00920 -0.00318 -0.01264 -0.05083 108 4S 0.00054 0.00557 -0.00128 -0.00515 0.00134 109 4PX -0.00345 0.01590 -0.01594 0.02078 -0.00190 110 4PY -0.01234 0.04784 0.01920 0.05482 -0.00594 111 4PZ 0.00090 -0.00348 -0.00159 -0.00584 -0.02558 112 5XX -0.00087 0.00310 0.00187 0.00176 -0.00015 113 5YY 0.00127 -0.00878 -0.00288 -0.00407 0.00066 114 5ZZ -0.00106 0.00412 0.00083 0.00256 -0.00060 115 5XY 0.00071 -0.00406 0.00209 -0.00326 0.00026 116 5XZ -0.00007 0.00036 -0.00019 0.00031 0.00102 117 5YZ -0.00022 0.00118 0.00025 0.00080 0.00294 118 6 Cl 1S 0.00011 -0.00056 0.00188 0.00052 0.00243 119 2S -0.00085 0.00366 -0.00871 -0.00240 -0.01120 120 2PX -0.00511 0.02359 -0.01923 -0.00747 -0.02455 121 2PY -0.00147 0.00681 -0.00739 0.00562 -0.00707 122 2PZ -0.00435 0.02093 -0.02310 -0.00670 -0.01786 123 3S -0.00032 0.00179 0.01459 0.00392 0.01962 124 3PX 0.01287 -0.06062 0.04967 0.01908 0.06269 125 3PY 0.00370 -0.01730 0.01884 -0.01387 0.01807 126 3PZ 0.01086 -0.05100 0.05834 0.01694 0.04592 127 4S 0.00375 -0.00635 0.00718 0.00137 0.01161 128 4PX 0.00592 -0.02441 0.02187 0.00825 0.02921 129 4PY 0.00182 -0.00743 0.00851 -0.00751 0.00865 130 4PZ 0.00679 -0.02451 0.02917 0.00857 0.02685 131 5XX -0.00029 -0.00010 -0.00210 0.00046 0.00134 132 5YY -0.00094 0.00315 -0.00158 -0.00142 -0.00113 133 5ZZ 0.00032 -0.00294 0.00448 0.00125 0.00051 134 5XY 0.00023 -0.00115 0.00058 -0.00159 0.00102 135 5XZ 0.00125 -0.00644 0.00235 0.00144 0.00348 136 5YZ 0.00036 -0.00181 0.00153 -0.00192 0.00106 137 7 Cl 1S 0.00003 -0.00023 0.00016 -0.00004 0.00001 138 2S -0.00009 0.00089 -0.00063 0.00023 -0.00004 139 2PX 0.00008 -0.00011 0.00097 0.00105 -0.00040 140 2PY -0.00026 0.00176 -0.00015 0.00040 -0.00014 141 2PZ 0.00006 -0.00016 0.00030 0.00021 0.00268 142 3S 0.00034 -0.00190 0.00151 -0.00035 0.00006 143 3PX -0.00012 0.00120 -0.00242 -0.00270 0.00102 144 3PY 0.00069 -0.00467 0.00049 -0.00101 0.00035 145 3PZ -0.00014 0.00046 -0.00074 -0.00052 -0.00693 146 4S -0.00015 0.00001 0.00220 -0.00029 -0.00011 147 4PX -0.00005 0.00076 -0.00208 -0.00210 0.00083 148 4PY 0.00016 -0.00177 0.00132 -0.00069 0.00000 149 4PZ -0.00005 0.00035 -0.00066 -0.00027 -0.00396 150 5XX 0.00006 -0.00006 0.00017 0.00012 -0.00002 151 5YY 0.00005 -0.00022 0.00003 -0.00003 0.00003 152 5ZZ 0.00005 0.00007 -0.00005 0.00008 0.00000 153 5XY 0.00000 0.00009 -0.00012 -0.00006 0.00001 154 5XZ 0.00000 -0.00001 0.00003 0.00002 0.00012 155 5YZ 0.00000 0.00003 -0.00001 0.00002 0.00011 156 8 Cl 1S 0.00003 -0.00021 0.00012 0.00009 0.00000 157 2S -0.00007 0.00077 -0.00049 -0.00044 0.00000 158 2PX -0.00002 0.00054 0.00122 -0.00064 -0.00038 159 2PY 0.00026 -0.00162 0.00057 0.00016 0.00023 160 2PZ 0.00003 0.00003 0.00025 0.00020 0.00263 161 3S 0.00035 -0.00191 0.00109 0.00084 -0.00002 162 3PX 0.00014 -0.00060 -0.00302 0.00167 0.00096 163 3PY -0.00067 0.00467 -0.00152 -0.00041 -0.00059 164 3PZ -0.00007 -0.00005 -0.00061 -0.00051 -0.00681 165 4S -0.00037 0.00101 0.00274 0.00123 -0.00019 166 4PX -0.00003 0.00021 -0.00203 0.00145 0.00063 167 4PY -0.00016 0.00190 -0.00215 -0.00052 -0.00004 168 4PZ -0.00003 0.00017 -0.00041 -0.00037 -0.00391 169 5XX 0.00007 -0.00007 0.00004 -0.00002 -0.00001 170 5YY 0.00006 -0.00027 0.00012 0.00001 0.00000 171 5ZZ 0.00005 0.00004 -0.00005 -0.00010 0.00003 172 5XY 0.00001 0.00001 0.00017 -0.00004 0.00000 173 5XZ 0.00000 0.00000 0.00001 0.00001 0.00016 174 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00005 6 7 8 9 10 6 3S 0.62379 7 3PX 0.04273 0.18257 8 3PY 0.02047 -0.01458 0.24970 9 3PZ -0.00302 0.00029 -0.00693 0.13216 10 4S -0.03221 -0.01265 -0.01247 0.00342 0.03918 11 4PX 0.01955 0.01755 0.00218 0.00016 -0.02993 12 4PY -0.00060 0.00041 -0.00602 0.00152 -0.01304 13 4PZ 0.00091 -0.00267 0.00084 0.01598 0.00016 14 5XX -0.02156 -0.01022 -0.02090 0.00094 -0.00641 15 5YY 0.00570 0.02116 0.02531 -0.00162 0.00920 16 5ZZ -0.04579 -0.02465 -0.00884 0.00027 0.00120 17 5XY -0.00297 -0.01729 0.03212 -0.00315 -0.00706 18 5XZ 0.00224 -0.00135 -0.00301 -0.02091 -0.00164 19 5YZ -0.00296 -0.00308 -0.00427 -0.00309 -0.00095 20 2 Al 1S -0.00140 0.00051 0.00010 0.00029 -0.00071 21 2S 0.00472 -0.00168 -0.00030 -0.00170 -0.00009 22 2PX -0.00103 0.00874 0.00212 -0.00253 0.01260 23 2PY -0.00045 0.00253 -0.00102 0.00001 0.00323 24 2PZ -0.00066 0.00262 0.00116 0.00896 0.00004 25 3S -0.02573 -0.00117 0.00010 0.00316 0.02553 26 3PX 0.00226 -0.02793 -0.00620 0.00708 -0.02447 27 3PY 0.00104 -0.00721 0.00059 0.00028 -0.00670 28 3PZ 0.00300 -0.00691 -0.00285 -0.02126 0.00477 29 4S 0.02755 0.02127 0.00340 0.00479 -0.02272 30 4PX 0.01507 0.00589 -0.00097 0.00254 -0.02200 31 4PY 0.00572 0.00089 0.00894 -0.00016 -0.00406 32 4PZ 0.00027 -0.00013 -0.00075 -0.00253 0.00108 33 5XX 0.01116 -0.01807 -0.00544 0.00164 0.00176 34 5YY 0.00384 0.00188 0.00200 -0.00109 -0.00411 35 5ZZ -0.01254 0.01252 0.00263 0.00107 -0.00121 36 5XY 0.00244 -0.00682 0.00244 0.00016 0.00164 37 5XZ 0.00466 -0.00381 -0.00141 -0.00516 0.00118 38 5YZ 0.00001 -0.00030 -0.00002 -0.00095 0.00048 39 3 Br 1S -0.00024 0.00373 0.00069 -0.00188 -0.02176 40 2S -0.00099 -0.02031 -0.00359 0.01248 0.10452 41 3S 0.00445 0.01829 0.00291 -0.01510 -0.07098 42 4S 0.01191 0.02938 0.00449 -0.02470 -0.10548 43 5S -0.02834 -0.02857 -0.00451 0.02994 0.00329 44 6S -0.01592 0.03994 0.01015 -0.02462 -0.02586 45 7PX 0.02972 -0.01834 -0.00405 0.02148 -0.04988 46 7PY 0.00629 -0.00464 0.00575 0.00377 -0.00959 47 7PZ -0.01416 0.01808 0.00276 -0.01441 0.00768 48 8PX -0.07526 0.05632 0.01327 -0.07197 0.03139 49 8PY -0.01499 0.01431 -0.02067 -0.01227 0.00670 50 8PZ 0.05897 -0.06792 -0.01077 0.05364 -0.00640 51 9PX 0.12547 -0.10243 -0.02436 0.13282 -0.00846 52 9PY 0.02460 -0.02606 0.03819 0.02258 -0.00299 53 9PZ -0.10913 0.12733 0.02031 -0.10144 0.00538 54 10PX 0.09445 -0.07207 -0.01596 0.08862 -0.01578 55 10PY 0.01928 -0.01735 0.02382 0.01465 -0.00309 56 10PZ -0.07344 0.07935 0.01158 -0.07097 0.00745 57 11XX -0.00363 -0.01243 -0.00109 0.00470 0.04173 58 11YY 0.00600 -0.01395 -0.00321 0.01074 0.04520 59 11ZZ -0.00610 -0.00192 -0.00048 0.00504 0.04386 60 11XY -0.00201 0.00099 -0.00268 -0.00105 0.00073 61 11XZ 0.01080 -0.00493 -0.00152 0.00710 0.00849 62 11YZ 0.00174 -0.00136 0.00374 0.00103 0.00105 63 12XX 0.00169 -0.00359 -0.00226 0.00958 0.01678 64 12YY -0.00953 -0.00666 -0.00048 0.00530 0.01666 65 12ZZ 0.01068 -0.02120 -0.00346 0.01271 0.01550 66 12XY 0.00121 0.00021 0.00381 0.00027 0.00015 67 12XZ -0.02395 0.00678 0.00196 -0.00901 0.00151 68 12YZ -0.00386 0.00186 -0.00475 -0.00127 0.00036 69 4 Br 1S 0.00455 -0.00322 0.00296 -0.00003 -0.03684 70 2S -0.02195 0.02006 -0.01915 0.00022 0.17535 71 3S 0.01465 -0.02225 0.02226 -0.00031 -0.11645 72 4S 0.02813 -0.03670 0.03699 -0.00050 -0.17262 73 5S 0.00383 0.04777 -0.05238 0.00123 -0.00813 74 6S -0.08672 -0.05808 0.06663 -0.00322 -0.03007 75 7PX -0.03183 -0.01346 0.03470 -0.00106 0.02576 76 7PY 0.03033 0.03261 -0.02254 0.00155 -0.01032 77 7PZ -0.00102 -0.00100 0.00163 0.01921 -0.00065 78 8PX 0.10925 0.04419 -0.10946 0.00328 0.01219 79 8PY -0.13088 -0.10130 0.06798 -0.00492 0.03045 80 8PZ 0.00471 0.00341 -0.00478 -0.05948 0.00028 81 9PX -0.19600 -0.07993 0.19732 -0.00578 -0.05856 82 9PY 0.24522 0.18232 -0.12172 0.00890 -0.05471 83 9PZ -0.00895 -0.00635 0.00855 0.10727 0.00012 84 10PX -0.12273 -0.04420 0.12588 -0.00324 -0.04046 85 10PY 0.15509 0.11561 -0.06644 0.00557 -0.04543 86 10PZ -0.00581 -0.00329 0.00568 0.08303 -0.00020 87 11XX -0.01104 0.01164 -0.00448 -0.00014 0.06423 88 11YY -0.01886 0.00443 -0.01052 -0.00001 0.08026 89 11ZZ 0.00349 0.01527 -0.01559 0.00055 0.07237 90 11XY 0.01992 0.00821 -0.00967 0.00047 0.00665 91 11XZ -0.00069 -0.00033 0.00035 0.00331 0.00024 92 11YZ 0.00084 0.00052 -0.00025 -0.00367 -0.00034 93 12XX 0.01599 0.01166 -0.02231 0.00074 0.02693 94 12YY 0.02228 0.02117 -0.01316 0.00043 0.02000 95 12ZZ -0.00369 0.00902 -0.01018 0.00006 0.02423 96 12XY -0.02682 -0.00806 0.00945 -0.00046 0.00071 97 12XZ 0.00046 0.00042 -0.00033 -0.00599 -0.00001 98 12YZ -0.00076 -0.00048 0.00020 0.00591 0.00001 99 5 Cl 1S 0.00126 0.00181 0.00759 -0.00061 -0.00880 100 2S -0.00486 -0.00798 -0.03246 0.00260 0.03366 101 2PX 0.03208 -0.03409 0.04757 -0.00384 0.01415 102 2PY 0.13583 0.04116 0.13432 -0.01330 -0.01410 103 2PZ -0.00948 -0.00306 -0.01316 -0.05181 0.00236 104 3S -0.00822 0.01598 0.06445 -0.00529 -0.02971 105 3PX -0.07528 0.08603 -0.11996 0.00988 -0.07350 106 3PY -0.36198 -0.10304 -0.33109 0.03298 0.03033 107 3PZ 0.02525 0.00743 0.03260 0.13105 -0.00534 108 4S -0.05389 -0.00629 -0.03631 0.00164 -0.00808 109 4PX -0.02499 0.03815 -0.04476 0.00392 -0.03622 110 4PY -0.12091 -0.03921 -0.11420 0.01288 0.01190 111 4PZ 0.00820 0.00350 0.01257 0.06256 -0.00266 112 5XX -0.00713 -0.00425 -0.00377 0.00029 0.00161 113 5YY 0.02865 0.00714 0.01676 -0.00213 -0.00317 114 5ZZ -0.00936 -0.00200 -0.00616 0.00133 0.00057 115 5XY 0.01040 -0.00436 0.00989 -0.00079 0.00178 116 5XZ -0.00090 0.00039 -0.00086 -0.00224 -0.00016 117 5YZ -0.00338 -0.00062 -0.00243 -0.00651 0.00039 118 6 Cl 1S -0.00184 -0.00256 -0.00067 -0.00376 -0.00542 119 2S 0.00587 0.01106 0.00287 0.01682 0.02103 120 2PX -0.05833 0.04935 0.01868 0.06003 0.03400 121 2PY -0.01680 0.01941 -0.01574 0.01731 0.00801 122 2PZ -0.04427 0.05881 0.01642 0.04196 0.00903 123 3S -0.02919 -0.02312 -0.00595 -0.03148 -0.01928 124 3PX 0.14072 -0.12433 -0.04761 -0.15477 -0.01215 125 3PY 0.04166 -0.04917 0.04021 -0.04480 -0.00537 126 3PZ 0.12472 -0.15038 -0.04224 -0.11017 -0.02498 127 4S -0.01462 0.01207 0.00415 -0.00486 -0.01330 128 4PX 0.05425 -0.05125 -0.01786 -0.05719 -0.01388 129 4PY 0.01653 -0.01859 0.01425 -0.01690 -0.00343 130 4PZ 0.04702 -0.05640 -0.01591 -0.05112 -0.01251 131 5XX 0.00179 0.00387 -0.00093 -0.00208 0.00015 132 5YY -0.00551 0.00242 0.00252 0.00185 0.00096 133 5ZZ 0.00795 -0.01055 -0.00281 -0.00172 -0.00117 134 5XY 0.00274 -0.00111 0.00310 -0.00185 -0.00032 135 5XZ 0.01564 -0.00577 -0.00304 -0.00789 -0.00031 136 5YZ 0.00441 -0.00339 0.00374 -0.00236 -0.00035 137 7 Cl 1S -0.00006 -0.00042 0.00012 -0.00005 0.00242 138 2S 0.00050 0.00184 -0.00076 0.00026 -0.00995 139 2PX 0.00194 -0.00411 -0.00367 0.00078 0.00590 140 2PY -0.00060 -0.00039 -0.00145 0.00042 -0.01249 141 2PZ 0.00127 -0.00084 -0.00038 -0.00776 -0.00207 142 3S 0.00201 -0.00334 0.00101 -0.00003 0.00766 143 3PX 0.00173 0.01107 0.00966 -0.00188 -0.04822 144 3PY 0.00140 0.00132 0.00420 -0.00117 0.03334 145 3PZ -0.00266 0.00184 0.00074 0.01925 0.00418 146 4S -0.00046 -0.00845 0.00395 -0.00104 -0.00165 147 4PX -0.00145 0.00520 0.00558 -0.00196 -0.02318 148 4PY 0.00108 -0.00359 0.00150 -0.00047 0.01258 149 4PZ -0.00207 0.00180 0.00074 0.01218 0.00197 150 5XX 0.00024 -0.00008 -0.00034 0.00014 -0.00138 151 5YY -0.00025 0.00039 0.00007 0.00001 0.00258 152 5ZZ -0.00011 0.00046 -0.00018 0.00006 -0.00048 153 5XY -0.00042 0.00058 0.00022 0.00002 -0.00108 154 5XZ -0.00001 -0.00009 -0.00006 -0.00025 0.00008 155 5YZ -0.00019 0.00002 -0.00004 -0.00011 0.00014 156 8 Cl 1S -0.00001 -0.00034 -0.00026 -0.00003 0.00173 157 2S 0.00044 0.00148 0.00136 0.00013 -0.00751 158 2PX 0.00151 -0.00519 0.00187 0.00071 0.00189 159 2PY 0.00135 -0.00143 -0.00031 -0.00084 0.01386 160 2PZ 0.00112 -0.00066 -0.00074 -0.00756 -0.00343 161 3S 0.00215 -0.00232 -0.00200 0.00014 0.00684 162 3PX 0.00200 0.01406 -0.00503 -0.00170 -0.03458 163 3PY -0.00050 0.00339 0.00104 0.00218 -0.05092 164 3PZ -0.00246 0.00135 0.00186 0.01870 0.00868 165 4S -0.00298 -0.00774 -0.00695 -0.00035 -0.00253 166 4PX -0.00126 0.00500 -0.00365 -0.00169 -0.01797 167 4PY -0.00155 0.00563 0.00117 0.00083 -0.02172 168 4PZ -0.00190 0.00108 0.00117 0.01194 0.00380 169 5XX 0.00002 0.00036 0.00027 0.00011 -0.00148 170 5YY 0.00020 -0.00007 0.00012 0.00001 0.00271 171 5ZZ -0.00006 0.00042 0.00035 0.00002 -0.00028 172 5XY 0.00047 -0.00066 0.00005 -0.00001 -0.00089 173 5XZ -0.00013 -0.00002 0.00000 -0.00027 0.00019 174 5YZ 0.00015 0.00000 -0.00001 0.00000 -0.00047 11 12 13 14 15 11 4PX 0.04610 12 4PY 0.00695 0.02175 13 4PZ 0.00004 0.00005 0.02014 14 5XX 0.01199 0.00848 0.00003 0.01295 15 5YY -0.01715 -0.01072 0.00023 -0.01156 0.01893 16 5ZZ 0.00302 0.00228 -0.00022 0.00372 -0.00750 17 5XY 0.01099 -0.00886 0.00141 -0.00071 -0.00041 18 5XZ 0.00004 0.00113 0.01079 0.00051 -0.00042 19 5YZ 0.00126 0.00177 0.00178 0.00116 -0.00084 20 2 Al 1S 0.00099 -0.00005 -0.00023 0.00111 0.00016 21 2S -0.00097 0.00036 0.00032 -0.00475 -0.00102 22 2PX -0.00435 -0.00056 0.00011 -0.00709 0.00110 23 2PY -0.00054 -0.00144 0.00009 -0.00224 0.00100 24 2PZ 0.00023 0.00011 -0.00001 -0.00099 0.00020 25 3S -0.01380 -0.00362 -0.00012 0.01212 0.00353 26 3PX 0.00890 0.00027 0.00063 0.01790 -0.00229 27 3PY -0.00111 0.01213 -0.00066 0.00566 -0.00227 28 3PZ -0.00185 -0.00148 -0.00218 0.00159 -0.00078 29 4S 0.02168 0.00587 0.00167 0.00138 -0.00374 30 4PX 0.01963 0.00401 0.00105 -0.00018 -0.00453 31 4PY 0.00414 0.00487 0.00020 0.00124 -0.00215 32 4PZ -0.00050 -0.00029 0.00293 0.00015 0.00025 33 5XX 0.00012 -0.00084 0.00050 0.00448 -0.00374 34 5YY 0.00449 0.00213 0.00021 -0.00380 -0.00161 35 5ZZ -0.00260 -0.00077 -0.00059 -0.00008 0.00427 36 5XY -0.00222 0.00243 -0.00026 0.00347 -0.00201 37 5XZ -0.00007 -0.00042 -0.00252 -0.00014 -0.00090 38 5YZ -0.00057 0.00001 -0.00051 0.00026 0.00025 39 3 Br 1S 0.00748 0.00188 -0.00892 0.00030 0.00067 40 2S -0.03469 -0.00894 0.04244 -0.00109 -0.00461 41 3S 0.02144 0.00577 -0.02813 0.00012 0.00572 42 4S 0.02999 0.00806 -0.04123 -0.00050 0.01047 43 5S 0.00356 -0.00007 0.00114 0.00217 -0.00901 44 6S 0.02831 0.00789 -0.02318 0.00382 -0.00833 45 7PX 0.02473 0.00670 -0.00951 -0.00055 -0.00654 46 7PY 0.00533 0.00042 -0.00166 0.00156 -0.00317 47 7PZ -0.00620 -0.00102 0.00479 -0.00539 0.00405 48 8PX -0.02739 -0.00248 0.00878 0.00312 0.01858 49 8PY -0.00021 -0.02105 0.00191 -0.00486 0.00919 50 8PZ 0.00692 0.00244 -0.01605 0.01694 -0.01442 51 9PX 0.03051 -0.00274 -0.00776 -0.00618 -0.03324 52 9PY -0.00623 0.04651 -0.00205 0.00896 -0.01665 53 9PZ -0.00795 -0.00424 0.03041 -0.03042 0.02702 54 10PX 0.03066 0.00026 -0.01008 -0.00303 -0.02677 55 10PY -0.00292 0.03506 -0.00269 0.00765 -0.01316 56 10PZ -0.01128 -0.00419 0.02645 -0.02265 0.02026 57 11XX -0.01569 -0.00169 0.01562 0.00145 -0.00235 58 11YY -0.01274 -0.00555 0.01754 0.00069 -0.00370 59 11ZZ -0.01350 -0.00398 0.01935 -0.00319 -0.00137 60 11XY 0.00039 -0.00532 -0.00001 0.00028 0.00014 61 11XZ -0.00351 -0.00131 0.00014 -0.00084 -0.00116 62 11YZ -0.00156 0.00325 -0.00011 -0.00007 -0.00048 63 12XX -0.00716 -0.00209 0.00877 -0.00164 0.00024 64 12YY -0.00769 -0.00255 0.00816 -0.00155 0.00058 65 12ZZ -0.00546 -0.00148 0.00516 0.00286 -0.00348 66 12XY 0.00033 0.00019 -0.00015 0.00000 0.00020 67 12XZ -0.00191 0.00022 0.00018 0.00129 0.00189 68 12YZ 0.00035 -0.00311 0.00009 -0.00021 0.00087 69 4 Br 1S -0.00983 0.02502 -0.00091 -0.00101 -0.00057 70 2S 0.04762 -0.12018 0.00440 0.00553 0.00385 71 3S -0.03328 0.08196 -0.00302 -0.00493 -0.00455 72 4S -0.04955 0.12226 -0.00450 -0.00837 -0.00832 73 5S 0.00675 -0.00488 -0.00007 0.00487 0.00801 74 6S -0.01981 0.02769 -0.00012 0.00341 0.00385 75 7PX -0.00040 -0.00809 0.00073 0.00304 -0.01278 76 7PY -0.00166 0.01044 -0.00014 0.01033 -0.00085 77 7PZ 0.00068 -0.00009 0.00495 -0.00037 -0.00041 78 8PX -0.04101 -0.01581 -0.00015 -0.01904 0.02808 79 8PY -0.02919 -0.03776 0.00067 -0.01982 0.01580 80 8PZ 0.00041 0.00065 -0.04163 0.00061 0.00097 81 9PX 0.09195 0.04487 -0.00056 0.03781 -0.04715 82 9PY 0.06699 0.07110 -0.00130 0.03193 -0.03338 83 9PZ -0.00178 -0.00127 0.08645 -0.00091 -0.00162 84 10PX 0.07323 0.03358 -0.00053 0.03037 -0.03776 85 10PY 0.04975 0.06007 -0.00071 0.02673 -0.02793 86 10PZ -0.00111 -0.00139 0.06957 -0.00087 -0.00147 87 11XX 0.02743 -0.04541 0.00152 0.00383 0.00103 88 11YY 0.01265 -0.05534 0.00199 0.00198 0.00354 89 11ZZ 0.01996 -0.04938 0.00206 0.00183 0.00150 90 11XY -0.00333 -0.00056 0.00002 -0.00154 -0.00114 91 11XZ -0.00010 -0.00021 0.00258 0.00007 -0.00007 92 11YZ 0.00031 0.00021 -0.00391 -0.00005 0.00001 93 12XX 0.00434 -0.02208 0.00065 -0.00132 0.00309 94 12YY 0.01452 -0.01506 0.00068 0.00271 -0.00126 95 12ZZ 0.00874 -0.01848 0.00042 0.00084 0.00045 96 12XY -0.00042 -0.00046 -0.00005 0.00031 -0.00038 97 12XZ -0.00008 0.00011 -0.00305 0.00002 0.00023 98 12YZ -0.00012 -0.00001 0.00371 -0.00006 -0.00009 99 5 Cl 1S 0.00079 -0.00564 0.00041 -0.00203 0.00424 100 2S -0.00316 0.02074 -0.00154 0.00857 -0.01856 101 2PX -0.03859 0.00590 -0.00056 -0.01672 0.02341 102 2PY 0.00766 -0.01700 -0.00113 -0.01869 0.03050 103 2PZ -0.00078 -0.00145 -0.02353 0.00117 -0.00567 104 3S -0.00155 -0.01910 0.00142 -0.01639 0.03478 105 3PX 0.14224 -0.01957 0.00129 0.04305 -0.05471 106 3PY -0.02767 0.04784 0.00440 0.05081 -0.05843 107 3PZ 0.00171 0.00503 0.07915 -0.00318 0.01297 108 4S -0.00325 -0.01303 0.00133 -0.00139 0.00899 109 4PX 0.06871 -0.01187 0.00085 0.01930 -0.02523 110 4PY -0.01316 0.02132 0.00199 0.01762 -0.02077 111 4PZ 0.00078 0.00289 0.03870 -0.00111 0.00645 112 5XX -0.00213 0.00127 -0.00006 0.00072 -0.00099 113 5YY 0.00268 -0.00163 -0.00031 -0.00243 0.00255 114 5ZZ 0.00008 0.00081 0.00032 0.00120 -0.00167 115 5XY -0.00429 -0.00027 -0.00002 -0.00221 0.00244 116 5XZ 0.00034 -0.00010 -0.00046 0.00017 -0.00025 117 5YZ -0.00024 -0.00009 -0.00269 0.00031 -0.00060 118 6 Cl 1S 0.00327 0.00097 0.00251 0.00069 -0.00138 119 2S -0.01372 -0.00402 -0.01004 -0.00270 0.00619 120 2PX -0.02368 -0.00465 -0.01049 0.00055 0.01409 121 2PY -0.00278 -0.01169 -0.00228 -0.00661 0.01137 122 2PZ -0.00735 -0.00213 -0.01220 -0.01760 0.01047 123 3S 0.01864 0.00477 0.01406 0.00466 -0.01202 124 3PX 0.03212 -0.00034 0.01380 -0.00491 -0.03621 125 3PY -0.00337 0.04261 0.00248 0.01610 -0.02923 126 3PZ 0.01497 0.00547 0.03834 0.03950 -0.02919 127 4S 0.01769 0.00571 0.01308 0.00376 -0.00708 128 4PX 0.02157 0.00262 0.01014 -0.00028 -0.01761 129 4PY 0.00062 0.01940 0.00244 0.00857 -0.01476 130 4PZ 0.01053 0.00325 0.01837 0.01799 -0.01324 131 5XX -0.00035 -0.00017 -0.00085 -0.00074 0.00074 132 5YY -0.00108 -0.00019 -0.00064 -0.00118 0.00098 133 5ZZ 0.00076 0.00018 0.00149 0.00251 -0.00199 134 5XY 0.00035 0.00004 0.00010 -0.00008 -0.00007 135 5XZ 0.00070 -0.00019 0.00026 -0.00094 -0.00140 136 5YZ -0.00014 0.00185 0.00014 0.00046 -0.00107 137 7 Cl 1S -0.00060 -0.00192 0.00008 0.00003 -0.00027 138 2S 0.00290 0.00693 -0.00030 -0.00020 0.00116 139 2PX -0.00644 0.00034 -0.00098 0.00232 0.00066 140 2PY 0.00314 0.00182 -0.00041 0.00203 0.00132 141 2PZ 0.00064 -0.00013 -0.00041 -0.00001 -0.00032 142 3S -0.00322 -0.00415 0.00051 -0.00008 -0.00231 143 3PX 0.03458 0.00307 0.00270 -0.00654 -0.00221 144 3PY -0.00934 -0.00457 0.00058 -0.00555 -0.00344 145 3PZ -0.00096 0.00038 -0.00037 0.00005 0.00086 146 4S 0.00013 0.00262 -0.00026 0.00280 -0.00273 147 4PX 0.01571 0.00261 0.00112 -0.00352 -0.00105 148 4PY -0.00365 0.00000 0.00010 -0.00114 -0.00262 149 4PZ -0.00037 0.00019 -0.00070 -0.00016 0.00057 150 5XX 0.00068 -0.00015 0.00004 -0.00001 0.00012 151 5YY -0.00097 -0.00050 0.00004 -0.00014 -0.00004 152 5ZZ 0.00001 0.00004 -0.00001 -0.00002 0.00020 153 5XY 0.00090 -0.00035 0.00007 -0.00008 0.00014 154 5XZ -0.00001 -0.00005 0.00001 0.00003 -0.00002 155 5YZ -0.00004 -0.00005 0.00005 0.00005 0.00003 156 8 Cl 1S -0.00136 0.00144 -0.00010 -0.00014 -0.00009 157 2S 0.00563 -0.00484 0.00033 0.00059 0.00035 158 2PX -0.00382 -0.00288 -0.00084 0.00387 0.00010 159 2PY -0.00530 -0.00149 -0.00010 -0.00103 -0.00070 160 2PZ 0.00095 0.00059 -0.00049 0.00015 0.00007 161 3S -0.00446 0.00253 0.00013 -0.00144 -0.00078 162 3PX 0.02509 0.01093 0.00216 -0.01103 -0.00034 163 3PY 0.02194 0.00605 0.00059 0.00260 0.00166 164 3PZ -0.00232 -0.00158 -0.00016 -0.00037 -0.00021 165 4S 0.00031 -0.00230 0.00001 0.00056 -0.00054 166 4PX 0.01218 0.00341 0.00102 -0.00591 0.00040 167 4PY 0.00897 0.00362 0.00020 -0.00023 0.00163 168 4PZ -0.00087 -0.00086 -0.00051 -0.00020 -0.00012 169 5XX 0.00072 0.00083 0.00001 0.00011 -0.00003 170 5YY -0.00113 -0.00040 -0.00001 -0.00012 -0.00004 171 5ZZ 0.00005 -0.00001 0.00000 0.00007 0.00012 172 5XY 0.00028 -0.00021 -0.00001 0.00016 -0.00007 173 5XZ -0.00007 0.00008 0.00004 0.00005 0.00000 174 5YZ 0.00019 0.00004 -0.00005 -0.00002 0.00000 16 17 18 19 20 16 5ZZ 0.01109 17 5XY 0.00207 0.01775 18 5XZ 0.00007 0.00014 0.01424 19 5YZ 0.00025 0.00026 0.00137 0.01076 20 2 Al 1S -0.00153 0.00022 -0.00028 -0.00017 2.12836 21 2S 0.00660 -0.00087 0.00139 0.00082 -0.53009 22 2PX 0.00608 -0.00266 0.00100 0.00053 0.00161 23 2PY 0.00134 0.00083 0.00002 0.00004 0.00036 24 2PZ -0.00026 -0.00059 -0.00207 -0.00054 0.00006 25 3S -0.01309 0.00198 -0.00348 -0.00187 -0.04013 26 3PX -0.01227 0.00660 -0.00282 -0.00124 -0.00369 27 3PY -0.00262 -0.00225 -0.00012 -0.00010 -0.00082 28 3PZ 0.00095 0.00128 0.00510 0.00137 -0.00036 29 4S -0.00159 0.00124 -0.00096 -0.00008 0.00810 30 4PX 0.00260 0.00212 -0.00053 0.00033 0.00019 31 4PY 0.00018 -0.00269 0.00018 0.00024 0.00014 32 4PZ -0.00037 0.00032 0.00262 0.00055 0.00005 33 5XX -0.00021 0.00370 0.00012 0.00037 0.02588 34 5YY 0.00431 -0.00179 0.00053 0.00052 0.02842 35 5ZZ -0.00356 -0.00146 -0.00079 -0.00082 0.02424 36 5XY -0.00107 -0.00146 0.00007 -0.00014 -0.00071 37 5XZ 0.00113 0.00038 -0.00052 -0.00020 -0.00018 38 5YZ -0.00037 0.00005 -0.00047 0.00097 -0.00031 39 3 Br 1S 0.00012 -0.00009 0.00041 0.00005 -0.00010 40 2S 0.00139 0.00083 -0.00458 -0.00068 0.00050 41 3S -0.00458 -0.00123 0.00799 0.00124 -0.00027 42 4S -0.00950 -0.00247 0.01478 0.00223 -0.00108 43 5S 0.01491 0.00209 -0.01683 -0.00244 -0.00340 44 6S 0.00775 0.00383 -0.01107 -0.00169 0.00925 45 7PX 0.00512 0.00283 -0.00659 -0.00159 -0.00206 46 7PY 0.00078 -0.00424 -0.00169 0.00356 -0.00056 47 7PZ -0.00110 -0.00201 0.00787 0.00130 -0.00180 48 8PX -0.01729 -0.00768 0.02128 0.00563 0.00624 49 8PY -0.00290 0.01415 0.00568 -0.01241 0.00171 50 8PZ -0.00038 0.00674 -0.02514 -0.00421 0.00580 51 9PX 0.03197 0.01363 -0.03900 -0.01040 -0.01111 52 9PY 0.00551 -0.02632 -0.01037 0.02277 -0.00303 53 9PZ 0.00198 -0.01227 0.04621 0.00779 -0.01007 54 10PX 0.02420 0.01172 -0.02935 -0.00860 -0.00921 55 10PY 0.00381 -0.02051 -0.00856 0.02011 -0.00257 56 10PZ 0.00116 -0.00937 0.03518 0.00588 -0.01016 57 11XX 0.00114 0.00109 -0.00314 -0.00007 0.00010 58 11YY 0.00124 0.00085 -0.00433 -0.00103 0.00050 59 11ZZ 0.00182 -0.00052 -0.00164 -0.00031 -0.00030 60 11XY 0.00015 -0.00016 0.00050 -0.00088 -0.00015 61 11XZ 0.00122 0.00024 -0.00193 -0.00048 -0.00069 62 11YZ 0.00022 -0.00095 -0.00045 0.00093 -0.00021 63 12XX 0.00074 -0.00090 -0.00115 -0.00071 -0.00158 64 12YY 0.00121 -0.00051 -0.00035 0.00028 -0.00276 65 12ZZ 0.00052 0.00138 -0.00472 -0.00068 -0.00018 66 12XY -0.00029 0.00015 -0.00040 0.00092 0.00047 67 12XZ -0.00144 -0.00061 0.00229 0.00062 0.00225 68 12YZ -0.00030 0.00174 0.00050 -0.00141 0.00067 69 4 Br 1S 0.00010 0.00099 0.00004 0.00008 0.00002 70 2S -0.00220 -0.00833 -0.00006 -0.00049 0.00012 71 3S 0.00477 0.01220 -0.00021 0.00051 -0.00041 72 4S 0.00874 0.02285 -0.00051 0.00084 -0.00028 73 5S -0.01299 -0.02540 0.00063 -0.00069 0.00095 74 6S 0.00397 -0.00780 0.00143 0.00030 -0.00264 75 7PX 0.00378 0.00953 -0.00051 0.00060 0.00000 76 7PY -0.00175 -0.01292 0.00103 -0.00007 0.00014 77 7PZ 0.00049 0.00083 0.00780 -0.00706 -0.00003 78 8PX -0.01579 -0.02322 0.00105 -0.00164 0.00006 79 8PY 0.01375 0.03185 -0.00267 0.00027 -0.00037 80 8PZ -0.00191 -0.00222 -0.02376 0.02308 0.00007 81 9PX 0.02934 0.03929 -0.00168 0.00288 -0.00024 82 9PY -0.02696 -0.05411 0.00462 -0.00043 0.00074 83 9PZ 0.00353 0.00389 0.04304 -0.04181 -0.00014 84 10PX 0.01944 0.02430 -0.00115 0.00223 0.00017 85 10PY -0.01623 -0.03751 0.00378 -0.00032 0.00022 86 10PZ 0.00298 0.00297 0.03625 -0.03717 -0.00008 87 11XX -0.00154 -0.00462 0.00005 -0.00022 0.00034 88 11YY -0.00004 -0.00456 -0.00005 -0.00016 0.00033 89 11ZZ -0.00350 -0.00557 0.00009 -0.00035 0.00032 90 11XY -0.00242 -0.00177 0.00008 -0.00011 0.00000 91 11XZ 0.00022 0.00006 0.00036 -0.00138 0.00000 92 11YZ -0.00024 -0.00005 -0.00074 0.00100 0.00000 93 12XX -0.00277 -0.00279 -0.00012 -0.00027 0.00071 94 12YY -0.00346 -0.00353 0.00016 -0.00020 0.00071 95 12ZZ -0.00072 -0.00125 -0.00029 -0.00002 0.00075 96 12XY 0.00249 0.00291 -0.00027 0.00020 0.00003 97 12XZ -0.00028 -0.00017 -0.00106 0.00216 0.00002 98 12YZ 0.00022 0.00013 0.00157 -0.00158 -0.00001 99 5 Cl 1S -0.00186 0.00215 -0.00011 -0.00051 0.00003 100 2S 0.00792 -0.00937 0.00048 0.00220 -0.00008 101 2PX -0.00653 -0.02279 0.00153 -0.00247 -0.00011 102 2PY -0.01802 0.02675 -0.00191 -0.00618 0.00025 103 2PZ 0.00487 -0.00254 -0.00916 -0.02961 0.00003 104 3S -0.01515 0.01799 -0.00116 -0.00419 0.00036 105 3PX 0.01605 0.05843 -0.00387 0.00589 0.00022 106 3PY 0.04904 -0.06219 0.00460 0.01438 -0.00069 107 3PZ -0.01260 0.00612 0.02319 0.07480 -0.00007 108 4S 0.00013 0.00456 0.00014 -0.00059 -0.00029 109 4PX 0.00692 0.03272 -0.00206 0.00266 0.00013 110 4PY 0.01691 -0.02663 0.00200 0.00602 -0.00010 111 4PZ -0.00622 0.00269 0.01175 0.04195 -0.00004 112 5XX 0.00108 -0.00179 0.00009 0.00014 0.00008 113 5YY -0.00321 0.00275 -0.00012 -0.00074 0.00007 114 5ZZ 0.00137 -0.00087 0.00005 0.00053 0.00006 115 5XY -0.00102 -0.00051 0.00010 -0.00036 -0.00001 116 5XZ 0.00016 0.00006 0.00030 -0.00072 0.00000 117 5YZ 0.00065 -0.00036 -0.00023 -0.00210 0.00000 118 6 Cl 1S 0.00216 0.00083 0.00290 0.00094 0.00014 119 2S -0.00900 -0.00360 -0.01271 -0.00411 -0.00097 120 2PX -0.01602 -0.00944 -0.02126 -0.00991 0.00553 121 2PY -0.00484 0.01070 -0.00972 0.00897 0.00098 122 2PZ 0.00205 -0.01067 -0.02169 -0.00647 -0.00435 123 3S 0.01925 0.00671 0.02447 0.00804 0.00002 124 3PX 0.03863 0.02300 0.05197 0.02471 -0.01392 125 3PY 0.01164 -0.02831 0.02426 -0.02341 -0.00248 126 3PZ -0.01130 0.02627 0.05345 0.01583 0.01089 127 4S 0.00793 0.00467 0.01457 0.00462 0.00373 128 4PX 0.01731 0.01195 0.02270 0.01213 -0.00667 129 4PY 0.00557 -0.01411 0.01192 -0.01402 -0.00106 130 4PZ -0.00483 0.01241 0.02568 0.00786 0.00678 131 5XX -0.00045 -0.00066 -0.00024 0.00009 -0.00021 132 5YY 0.00027 -0.00071 -0.00106 -0.00066 -0.00098 133 5ZZ -0.00048 0.00156 0.00140 0.00054 0.00029 134 5XY -0.00002 0.00042 0.00053 -0.00045 0.00013 135 5XZ 0.00147 0.00059 0.00243 0.00102 -0.00130 136 5YZ 0.00040 -0.00075 0.00103 -0.00067 -0.00020 137 7 Cl 1S 0.00015 -0.00015 0.00005 0.00003 0.00047 138 2S -0.00066 0.00070 -0.00020 -0.00014 -0.00220 139 2PX -0.00217 0.00161 -0.00006 -0.00003 -0.00346 140 2PY -0.00287 0.00099 -0.00022 -0.00031 -0.01094 141 2PZ -0.00001 0.00010 0.00162 -0.00091 0.00012 142 3S 0.00194 -0.00126 0.00040 0.00035 0.00341 143 3PX 0.00670 -0.00471 0.00024 0.00016 0.00860 144 3PY 0.00729 -0.00279 0.00066 0.00074 0.02736 145 3PZ 0.00009 -0.00021 -0.00382 0.00278 -0.00031 146 4S 0.00049 -0.00164 0.00048 0.00028 0.00079 147 4PX 0.00379 -0.00352 0.00046 0.00012 0.00389 148 4PY 0.00335 -0.00122 0.00039 0.00041 0.01247 149 4PZ 0.00006 -0.00021 -0.00289 0.00137 -0.00012 150 5XX -0.00009 0.00023 -0.00006 -0.00001 -0.00083 151 5YY 0.00011 -0.00009 -0.00001 0.00000 0.00120 152 5ZZ -0.00016 0.00005 -0.00002 -0.00003 -0.00107 153 5XY -0.00008 0.00005 -0.00008 -0.00004 0.00082 154 5XZ 0.00002 0.00003 0.00013 -0.00007 0.00001 155 5YZ 0.00000 0.00004 0.00018 0.00003 -0.00001 156 8 Cl 1S 0.00014 0.00024 0.00003 0.00003 0.00047 157 2S -0.00064 -0.00109 -0.00010 -0.00012 -0.00220 158 2PX -0.00304 -0.00029 0.00001 -0.00037 -0.00778 159 2PY 0.00166 0.00023 0.00028 0.00031 0.00841 160 2PZ -0.00050 0.00013 0.00099 0.00152 -0.00094 161 3S 0.00184 0.00186 0.00021 0.00025 0.00344 162 3PX 0.00880 0.00112 -0.00001 0.00110 0.01940 163 3PY -0.00368 -0.00043 -0.00069 -0.00082 -0.02105 164 3PZ 0.00139 -0.00031 -0.00200 -0.00415 0.00234 165 4S 0.00085 0.00375 0.00017 0.00018 0.00066 166 4PX 0.00466 0.00153 0.00022 0.00065 0.00879 167 4PY -0.00141 -0.00100 -0.00035 -0.00045 -0.00958 168 4PZ 0.00072 -0.00022 -0.00188 -0.00249 0.00108 169 5XX -0.00012 -0.00026 -0.00008 -0.00003 0.00009 170 5YY 0.00011 0.00005 0.00001 0.00001 0.00028 171 5ZZ -0.00017 -0.00014 0.00002 -0.00002 -0.00105 172 5XY -0.00003 0.00001 0.00006 0.00001 -0.00142 173 5XZ 0.00001 0.00001 0.00014 0.00013 0.00018 174 5YZ -0.00003 -0.00002 -0.00012 0.00000 -0.00019 21 22 23 24 25 21 2S 2.18767 22 2PX -0.00624 1.99986 23 2PY -0.00137 -0.00221 2.00930 24 2PZ -0.00016 0.00058 -0.00077 1.99332 25 3S -0.09137 0.02794 0.00617 0.00098 0.62100 26 3PX 0.01308 -0.00812 0.00562 -0.00129 -0.05179 27 3PY 0.00291 0.00562 -0.03212 0.00196 -0.01154 28 3PZ 0.00145 -0.00112 0.00199 0.00739 -0.00456 29 4S -0.00993 -0.01094 -0.00277 -0.00464 -0.03459 30 4PX -0.00104 -0.01915 -0.00317 -0.00108 -0.01351 31 4PY -0.00046 -0.00323 -0.00601 -0.00095 -0.00279 32 4PZ -0.00055 -0.00056 -0.00083 -0.01836 0.00052 33 5XX -0.02788 -0.00267 -0.00601 0.00059 -0.01741 34 5YY -0.03956 0.00216 0.00604 -0.00045 0.00837 35 5ZZ -0.01929 -0.01095 -0.00256 -0.00012 -0.04746 36 5XY 0.00324 -0.00471 0.01238 -0.00078 -0.00708 37 5XZ 0.00056 0.00199 -0.00080 -0.00318 -0.00008 38 5YZ 0.00145 -0.00078 0.00091 -0.00079 -0.00364 39 3 Br 1S 0.00042 0.00091 0.00025 0.00099 -0.00085 40 2S -0.00245 -0.00576 -0.00166 -0.00718 0.00231 41 3S 0.00242 0.00644 0.00193 0.00938 0.00154 42 4S 0.00467 0.01247 0.00365 0.01635 0.00725 43 5S 0.00697 -0.01017 -0.00315 -0.01734 -0.02550 44 6S -0.01662 -0.00471 -0.00114 0.00020 -0.01612 45 7PX 0.00848 0.00650 0.00262 0.00973 -0.02864 46 7PY 0.00240 0.00256 -0.00214 0.00277 -0.00719 47 7PZ 0.00910 0.00852 0.00250 0.00815 -0.01508 48 8PX -0.02909 -0.01949 -0.00805 -0.02992 0.07356 49 8PY -0.00802 -0.00786 0.00698 -0.00855 0.01972 50 8PZ -0.02800 -0.02657 -0.00779 -0.02504 0.06242 51 9PX 0.05264 0.03633 0.01476 0.05479 -0.12319 52 9PY 0.01441 0.01438 -0.01222 0.01563 -0.03361 53 9PZ 0.04855 0.04808 0.01410 0.04591 -0.11548 54 10PX 0.04050 0.02615 0.01108 0.04139 -0.09359 55 10PY 0.01111 0.01090 -0.01046 0.01206 -0.02496 56 10PZ 0.03961 0.03760 0.01118 0.03789 -0.07864 57 11XX -0.00114 -0.00396 -0.00078 -0.00387 -0.00115 58 11YY -0.00262 -0.00339 -0.00141 -0.00441 0.00736 59 11ZZ 0.00067 -0.00094 -0.00030 -0.00386 -0.00531 60 11XY 0.00062 0.00006 -0.00071 0.00026 -0.00292 61 11XZ 0.00343 0.00010 0.00038 0.00101 -0.01064 62 11YZ 0.00098 0.00044 -0.00104 0.00033 -0.00324 63 12XX 0.00260 0.00261 -0.00063 -0.00496 -0.00014 64 12YY 0.00706 0.00145 0.00156 -0.00128 -0.00789 65 12ZZ -0.00380 -0.00736 -0.00228 -0.00588 0.01342 66 12XY -0.00183 -0.00050 0.00210 -0.00148 0.00352 67 12XZ -0.01006 -0.00288 -0.00189 -0.00557 0.02306 68 12YZ -0.00295 -0.00202 0.00304 -0.00175 0.00652 69 4 Br 1S -0.00015 -0.00008 0.00004 0.00001 -0.00022 70 2S 0.00042 0.00012 -0.00028 -0.00003 0.00125 71 3S 0.00034 0.00044 0.00037 0.00001 -0.00127 72 4S 0.00010 0.00014 0.00077 0.00002 -0.00182 73 5S -0.00333 -0.00141 0.00047 -0.00001 0.00417 74 6S 0.00519 0.00068 -0.00422 -0.00010 -0.00682 75 7PX 0.00085 -0.00043 0.00025 -0.00015 0.00353 76 7PY -0.00056 -0.00026 -0.00006 -0.00001 0.00207 77 7PZ 0.00005 0.00017 -0.00002 -0.00117 -0.00073 78 8PX -0.00094 0.00163 -0.00080 0.00050 -0.00223 79 8PY 0.00221 0.00067 0.00020 0.00004 -0.00243 80 8PZ -0.00022 -0.00049 0.00003 0.00347 0.00164 81 9PX 0.00134 -0.00267 0.00142 -0.00089 -0.00016 82 9PY -0.00439 -0.00129 -0.00032 -0.00007 0.00296 83 9PZ 0.00041 0.00087 -0.00008 -0.00640 -0.00262 84 10PX 0.00015 -0.00282 0.00219 -0.00092 0.00283 85 10PY -0.00267 -0.00210 -0.00088 -0.00040 0.00320 86 10PZ 0.00046 0.00096 0.00009 -0.00553 -0.00290 87 11XX -0.00029 -0.00023 -0.00016 -0.00001 0.00018 88 11YY 0.00020 -0.00017 -0.00012 -0.00001 0.00175 89 11ZZ -0.00021 -0.00020 -0.00019 0.00000 0.00007 90 11XY 0.00015 0.00014 -0.00003 0.00002 0.00074 91 11XZ 0.00003 -0.00002 0.00002 0.00014 0.00006 92 11YZ -0.00003 0.00000 -0.00001 -0.00006 -0.00002 93 12XX -0.00137 -0.00082 0.00037 0.00005 0.00116 94 12YY -0.00155 -0.00122 0.00049 -0.00009 0.00202 95 12ZZ -0.00125 -0.00080 0.00066 0.00002 0.00124 96 12XY -0.00004 -0.00014 0.00020 -0.00002 0.00084 97 12XZ -0.00009 -0.00002 -0.00005 -0.00017 0.00034 98 12YZ 0.00009 0.00010 0.00003 -0.00011 -0.00038 99 5 Cl 1S -0.00021 -0.00014 0.00005 0.00000 0.00000 100 2S 0.00081 0.00058 -0.00028 0.00002 0.00031 101 2PX 0.00024 0.00109 0.00107 0.00021 -0.00264 102 2PY -0.00162 -0.00008 0.00051 0.00036 0.00115 103 2PZ 0.00000 -0.00036 0.00007 0.00261 0.00099 104 3S -0.00190 -0.00134 0.00036 -0.00005 0.00232 105 3PX -0.00138 -0.00273 -0.00277 -0.00054 0.00108 106 3PY 0.00430 0.00033 -0.00130 -0.00092 -0.00290 107 3PZ 0.00000 0.00091 -0.00020 -0.00675 -0.00229 108 4S 0.00040 -0.00240 0.00087 -0.00024 -0.00182 109 4PX -0.00087 -0.00214 -0.00230 -0.00053 0.00281 110 4PY 0.00154 0.00114 -0.00084 -0.00026 -0.00159 111 4PZ 0.00018 0.00062 -0.00015 -0.00380 -0.00173 112 5XX -0.00011 -0.00019 -0.00016 0.00000 0.00029 113 5YY -0.00023 -0.00003 0.00002 0.00000 -0.00010 114 5ZZ 0.00005 0.00005 -0.00011 0.00002 -0.00014 115 5XY 0.00010 0.00011 0.00006 0.00000 -0.00047 116 5XZ -0.00001 0.00001 0.00000 -0.00013 0.00006 117 5YZ 0.00000 0.00001 -0.00001 -0.00012 0.00016 118 6 Cl 1S -0.00072 -0.00202 -0.00031 0.00244 -0.00163 119 2S 0.00433 0.00931 0.00144 -0.01120 0.00501 120 2PX -0.02567 -0.02164 -0.00523 0.02537 0.06241 121 2PY -0.00452 -0.00529 0.00721 0.00423 0.01133 122 2PZ 0.02108 0.02392 0.00392 -0.01672 -0.04372 123 3S 0.00028 -0.01590 -0.00239 0.01987 -0.02637 124 3PX 0.06575 0.05577 0.01338 -0.06482 -0.15307 125 3PY 0.01171 0.01356 -0.01799 -0.01080 -0.02683 126 3PZ -0.05146 -0.06043 -0.00986 0.04304 0.12365 127 4S -0.00652 -0.00646 -0.00084 0.01134 -0.01393 128 4PX 0.02731 0.02396 0.00593 -0.03031 -0.05973 129 4PY 0.00457 0.00595 -0.00938 -0.00471 -0.01045 130 4PZ -0.02472 -0.02999 -0.00466 0.02528 0.04695 131 5XX -0.00053 0.00165 -0.00028 0.00181 0.00296 132 5YY 0.00340 0.00185 0.00087 -0.00131 -0.00615 133 5ZZ -0.00280 -0.00452 -0.00077 0.00023 0.00750 134 5XY -0.00064 -0.00034 0.00183 0.00050 0.00144 135 5XZ 0.00668 0.00298 0.00086 -0.00351 -0.01631 136 5YZ 0.00108 0.00074 -0.00215 -0.00055 -0.00272 137 7 Cl 1S -0.00231 0.00144 0.00463 -0.00002 0.00142 138 2S 0.01057 -0.00636 -0.02055 0.00008 -0.00545 139 2PX 0.01736 0.01198 -0.02016 0.00007 -0.03644 140 2PY 0.05104 -0.01866 -0.04854 0.00109 -0.13575 141 2PZ -0.00045 0.00002 0.00089 0.02024 0.00210 142 3S -0.01530 0.01288 0.04164 -0.00020 -0.00576 143 3PX -0.04459 -0.03053 0.05100 -0.00016 0.08704 144 3PY -0.12635 0.04740 0.12295 -0.00274 0.36198 145 3PZ 0.00101 -0.00007 -0.00228 -0.05152 -0.00614 146 4S 0.00506 0.00145 0.00452 0.00093 -0.05343 147 4PX -0.01769 -0.01449 0.02399 0.00034 0.02803 148 4PY -0.04832 0.02195 0.05275 -0.00091 0.12229 149 4PZ 0.00035 0.00018 -0.00085 -0.02603 -0.00238 150 5XX 0.00275 -0.00198 -0.00144 0.00002 -0.00623 151 5YY -0.00846 0.00316 0.00387 -0.00009 0.02804 152 5ZZ 0.00414 -0.00088 -0.00259 0.00003 -0.00939 153 5XY -0.00472 -0.00167 0.00358 -0.00010 0.01222 154 5XZ -0.00003 0.00000 -0.00006 -0.00115 0.00001 155 5YZ 0.00005 -0.00012 -0.00008 -0.00297 -0.00034 156 8 Cl 1S -0.00232 0.00326 -0.00357 0.00043 0.00140 157 2S 0.01060 -0.01446 0.01582 -0.00192 -0.00538 158 2PX 0.03739 -0.01375 0.03623 -0.00407 -0.09066 159 2PY -0.03868 0.03473 -0.02233 0.00432 0.10711 160 2PZ 0.00446 -0.00404 0.00451 0.01983 -0.01121 161 3S -0.01538 0.02929 -0.03210 0.00385 -0.00575 162 3PX -0.09400 0.03468 -0.09175 0.01034 0.23264 163 3PY 0.09509 -0.08817 0.05649 -0.01097 -0.28986 164 3PZ -0.01110 0.01023 -0.01142 -0.05049 0.02959 165 4S 0.00535 0.00331 -0.00325 0.00134 -0.05387 166 4PX -0.03644 0.01514 -0.04123 0.00522 0.07723 167 4PY 0.03603 -0.03924 0.02246 -0.00503 -0.09838 168 4PZ -0.00424 0.00489 -0.00519 -0.02552 0.00969 169 5XX -0.00240 -0.00118 -0.00261 0.00027 0.00804 170 5YY -0.00323 0.00320 0.00099 0.00037 0.01353 171 5ZZ 0.00402 -0.00185 0.00188 -0.00070 -0.00910 172 5XY 0.00794 -0.00304 0.00363 -0.00063 -0.02288 173 5XZ -0.00101 0.00031 -0.00069 -0.00223 0.00273 174 5YZ 0.00102 -0.00062 0.00044 0.00211 -0.00299 26 27 28 29 30 26 3PX 0.19060 27 3PY -0.01503 0.25482 28 3PZ 0.00390 -0.00586 0.13590 29 4S 0.02315 0.00567 0.00393 0.03295 30 4PX 0.01485 0.00620 -0.00063 0.03071 0.04113 31 4PY 0.00606 -0.01128 0.00144 0.00701 0.00615 32 4PZ 0.00243 0.00202 0.01481 0.00103 0.00061 33 5XX 0.00948 0.01892 -0.00244 -0.00802 -0.01230 34 5YY -0.02241 -0.02231 0.00036 0.00904 0.01742 35 5ZZ 0.02751 0.00657 0.00207 0.00292 -0.00375 36 5XY 0.01926 -0.03739 0.00315 -0.00465 -0.01151 37 5XZ -0.00546 0.00314 0.02007 0.00146 0.00118 38 5YZ 0.00316 -0.00219 0.00489 -0.00014 -0.00159 39 3 Br 1S -0.00356 -0.00089 -0.00207 -0.01946 -0.00643 40 2S 0.01928 0.00497 0.01358 0.09313 0.02965 41 3S -0.01723 -0.00464 -0.01613 -0.06280 -0.01798 42 4S -0.02755 -0.00747 -0.02630 -0.09318 -0.02476 43 5S 0.02797 0.00764 0.03249 0.00173 -0.00386 44 6S -0.04214 -0.01024 -0.02889 -0.02457 -0.02666 45 7PX -0.01595 -0.00627 -0.02128 0.04681 0.02414 46 7PY -0.00606 0.00517 -0.00598 0.01073 0.00561 47 7PZ -0.01777 -0.00519 -0.01585 0.00865 0.00596 48 8PX 0.04806 0.02003 0.07066 -0.02825 -0.02650 49 8PY 0.01972 -0.01873 0.02027 -0.00642 -0.00157 50 8PZ 0.06632 0.01927 0.05853 -0.00520 -0.00586 51 9PX -0.08722 -0.03669 -0.13027 0.00511 0.02923 52 9PY -0.03617 0.03467 -0.03752 0.00105 -0.00349 53 9PZ -0.12425 -0.03610 -0.11049 0.00142 0.00582 54 10PX -0.06015 -0.02433 -0.08622 0.01225 0.02935 55 10PY -0.02403 0.02188 -0.02493 0.00292 -0.00083 56 10PZ -0.07615 -0.02271 -0.07615 0.00539 0.00951 57 11XX 0.01230 0.00204 0.00610 0.03868 0.01423 58 11YY 0.01302 0.00483 0.01108 0.03913 0.01039 59 11ZZ 0.00145 0.00018 0.00490 0.03808 0.01102 60 11XY -0.00109 0.00205 -0.00193 -0.00089 -0.00056 61 11XZ -0.00382 -0.00224 -0.00702 -0.00831 -0.00323 62 11YZ -0.00247 0.00319 -0.00220 -0.00174 -0.00128 63 12XX 0.00331 0.00242 0.00923 0.01501 0.00639 64 12YY 0.00728 0.00007 0.00664 0.01459 0.00686 65 12ZZ 0.02086 0.00575 0.01458 0.01387 0.00499 66 12XY 0.00007 -0.00303 0.00141 0.00003 -0.00019 67 12XZ 0.00501 0.00284 0.00871 -0.00127 -0.00186 68 12YZ 0.00308 -0.00400 0.00273 -0.00033 0.00014 69 4 Br 1S 0.00060 -0.00005 -0.00025 0.00479 0.00346 70 2S -0.00261 0.00041 0.00122 -0.02194 -0.01600 71 3S 0.00126 -0.00053 -0.00085 0.01319 0.00986 72 4S 0.00122 -0.00181 -0.00114 0.01892 0.01429 73 5S -0.00055 -0.00350 0.00101 0.00856 0.00465 74 6S 0.01198 0.01881 -0.00306 -0.00240 -0.00025 75 7PX 0.00203 -0.00069 0.00044 -0.01625 -0.00729 76 7PY 0.00113 0.00006 -0.00004 0.00091 -0.00046 77 7PZ -0.00057 -0.00001 0.00371 0.00091 0.00032 78 8PX -0.00733 0.00229 -0.00113 -0.00103 -0.00514 79 8PY -0.00217 -0.00033 0.00016 -0.02068 -0.00812 80 8PZ 0.00117 0.00014 -0.01009 -0.00263 -0.00085 81 9PX 0.01374 -0.00426 0.00186 0.02243 0.02061 82 9PY 0.00363 0.00059 -0.00032 0.04476 0.01866 83 9PZ -0.00182 -0.00027 0.01787 0.00471 0.00149 84 10PX 0.00801 -0.00595 0.00252 0.01799 0.01559 85 10PY 0.00696 0.00208 0.00025 0.03190 0.01312 86 10PZ -0.00258 -0.00034 0.01692 0.00371 0.00109 87 11XX -0.00098 0.00017 0.00049 -0.00373 -0.00395 88 11YY -0.00088 0.00011 0.00056 -0.01558 -0.01026 89 11ZZ -0.00112 0.00018 0.00052 -0.00672 -0.00497 90 11XY -0.00045 0.00012 -0.00006 -0.00417 -0.00260 91 11XZ 0.00005 -0.00006 -0.00040 -0.00050 -0.00021 92 11YZ -0.00006 0.00002 0.00014 -0.00014 0.00000 93 12XX -0.00184 -0.00248 0.00060 -0.00312 -0.00228 94 12YY -0.00071 -0.00260 0.00089 0.00118 -0.00027 95 12ZZ -0.00238 -0.00276 0.00060 -0.00209 -0.00142 96 12XY 0.00052 -0.00024 0.00008 -0.00149 -0.00050 97 12XZ 0.00006 0.00008 0.00003 -0.00024 -0.00012 98 12YZ -0.00027 -0.00006 0.00057 0.00013 0.00006 99 5 Cl 1S 0.00041 -0.00014 -0.00002 0.00200 0.00063 100 2S -0.00184 0.00088 0.00009 -0.00843 -0.00307 101 2PX -0.00440 -0.00376 -0.00024 -0.00551 -0.00588 102 2PY -0.00055 -0.00171 -0.00103 0.00926 0.00170 103 2PZ 0.00103 -0.00043 -0.00748 -0.00298 -0.00104 104 3S 0.00274 -0.00112 0.00022 0.00633 0.00277 105 3PX 0.01192 0.01008 0.00055 0.04424 0.03107 106 3PY 0.00189 0.00496 0.00263 -0.02442 -0.00522 107 3PZ -0.00232 0.00122 0.01842 0.00833 0.00308 108 4S 0.00926 -0.00479 -0.00021 -0.00129 0.00094 109 4PX 0.00542 0.00574 0.00107 0.02069 0.01387 110 4PY -0.00353 0.00168 0.00137 -0.00914 -0.00211 111 4PZ -0.00174 0.00060 0.01168 0.00364 0.00128 112 5XX 0.00008 0.00040 0.00009 -0.00112 -0.00058 113 5YY -0.00044 -0.00009 0.00002 0.00217 0.00073 114 5ZZ -0.00052 0.00019 0.00002 -0.00036 -0.00003 115 5XY -0.00055 -0.00019 0.00004 -0.00123 -0.00085 116 5XZ -0.00001 0.00000 0.00026 0.00001 0.00004 117 5YZ -0.00003 -0.00001 0.00014 -0.00047 -0.00018 118 6 Cl 1S 0.00275 0.00039 -0.00377 -0.00514 -0.00332 119 2S -0.01178 -0.00166 0.01682 0.02001 0.01394 120 2PX 0.05506 0.01370 -0.06200 -0.03230 -0.02439 121 2PY 0.01370 -0.01936 -0.01029 -0.00668 -0.00271 122 2PZ -0.06044 -0.00999 0.03904 0.00648 0.00554 123 3S 0.02482 0.00360 -0.03173 -0.02007 -0.01937 124 3PX -0.13883 -0.03463 0.16004 0.01068 0.03276 125 3PY -0.03464 0.04991 0.02643 0.00111 -0.00259 126 3PZ 0.15460 0.02541 -0.10250 -0.01795 -0.01113 127 4S -0.01400 -0.00308 -0.00433 -0.01350 -0.01789 128 4PX -0.05465 -0.01331 0.05873 0.01221 0.02233 129 4PY -0.01362 0.01803 0.00916 0.00214 0.00026 130 4PZ 0.05726 0.00890 -0.04781 -0.00988 -0.00848 131 5XX -0.00285 0.00064 -0.00319 0.00007 0.00028 132 5YY -0.00303 -0.00158 0.00229 0.00084 0.00098 133 5ZZ 0.01053 0.00182 -0.00110 -0.00078 -0.00046 134 5XY 0.00051 -0.00358 -0.00073 -0.00021 -0.00012 135 5XZ -0.00716 -0.00192 0.00804 0.00034 0.00085 136 5YZ -0.00168 0.00422 0.00131 -0.00006 -0.00029 137 7 Cl 1S -0.00219 -0.00746 0.00003 -0.00914 -0.00060 138 2S 0.00951 0.03187 -0.00011 0.03485 0.00253 139 2PX -0.03076 0.05450 0.00004 -0.01658 -0.03745 140 2PY 0.04785 0.13025 -0.00268 0.01575 0.01101 141 2PZ -0.00013 -0.00247 -0.05271 0.00000 -0.00058 142 3S -0.01921 -0.06312 0.00005 -0.03149 0.00068 143 3PX 0.07763 -0.13659 -0.00035 0.08507 0.13932 144 3PY -0.11923 -0.32105 0.00671 -0.03634 -0.03612 145 3PZ 0.00052 0.00615 0.13343 0.00279 0.00380 146 4S 0.00887 0.03638 -0.00144 -0.00986 0.00371 147 4PX 0.03541 -0.05217 -0.00067 0.04121 0.06837 148 4PY -0.04520 -0.10910 0.00228 -0.01456 -0.01711 149 4PZ -0.00080 0.00215 0.06346 0.00089 0.00180 150 5XX 0.00448 0.00293 -0.00006 0.00197 0.00238 151 5YY -0.00824 -0.01589 0.00022 -0.00341 -0.00298 152 5ZZ 0.00216 0.00629 -0.00011 0.00063 -0.00010 153 5XY 0.00328 -0.01079 0.00025 0.00194 0.00392 154 5XZ 0.00000 0.00017 0.00253 0.00007 0.00003 155 5YZ 0.00028 0.00030 0.00666 0.00017 0.00011 156 8 Cl 1S -0.00514 0.00579 -0.00070 -0.00899 0.00180 157 2S 0.02209 -0.02470 0.00302 0.03434 -0.00626 158 2PX 0.03737 -0.09741 0.01124 -0.00867 -0.02824 159 2PY -0.09083 0.06084 -0.01158 -0.02101 -0.01658 160 2PZ 0.01046 -0.01198 -0.05163 0.00207 0.00146 161 3S -0.04417 0.04876 -0.00609 -0.03128 0.00830 162 3PX -0.09197 0.24239 -0.02824 0.06221 0.10455 163 3PY 0.22525 -0.14825 0.02856 0.06831 0.06385 164 3PZ -0.02581 0.02980 0.13076 -0.00321 -0.00355 165 4S 0.02384 -0.02934 0.00209 -0.01010 0.00772 166 4PX -0.02767 0.08951 -0.01122 0.03127 0.05006 167 4PY 0.08258 -0.04448 0.01089 0.03037 0.03103 168 4PZ -0.01062 0.01112 0.06246 -0.00173 -0.00198 169 5XX 0.00074 0.00870 -0.00094 0.00232 0.00354 170 5YY -0.00951 0.00117 -0.00124 -0.00370 -0.00386 171 5ZZ 0.00446 -0.00454 0.00158 0.00060 -0.00043 172 5XY 0.00962 -0.01214 0.00186 0.00111 -0.00075 173 5XZ -0.00100 0.00196 0.00491 0.00005 0.00017 174 5YZ 0.00173 -0.00145 -0.00471 0.00043 0.00038 31 32 33 34 35 31 4PY 0.01532 32 4PZ 0.00034 0.01696 33 5XX -0.00812 0.00114 0.01394 34 5YY 0.00941 -0.00024 -0.01239 0.01998 35 5ZZ -0.00098 -0.00079 0.00315 -0.00794 0.01198 36 5XY 0.01064 -0.00111 -0.00112 -0.00053 0.00301 37 5XZ -0.00138 -0.01028 -0.00119 0.00044 0.00030 38 5YZ 0.00075 -0.00241 0.00051 -0.00042 0.00030 39 3 Br 1S -0.00218 -0.00946 0.00029 0.00065 0.00008 40 2S 0.01022 0.04505 -0.00131 -0.00444 0.00173 41 3S -0.00646 -0.03000 0.00075 0.00550 -0.00502 42 4S -0.00911 -0.04411 0.00067 0.01010 -0.01027 43 5S -0.00070 0.00147 0.00016 -0.00856 0.01594 44 6S -0.00733 -0.02246 0.00392 -0.00822 0.00727 45 7PX 0.00550 0.00965 0.00115 0.00569 -0.00557 46 7PY 0.00114 0.00244 -0.00196 0.00382 -0.00170 47 7PZ 0.00156 0.00513 -0.00465 0.00357 -0.00183 48 8PX -0.00160 -0.00814 -0.00576 -0.01643 0.01839 49 8PY -0.01994 -0.00159 0.00579 -0.01197 0.00545 50 8PZ -0.00128 -0.01608 0.01429 -0.01316 0.00164 51 9PX -0.00333 0.00605 0.01130 0.02948 -0.03391 52 9PY 0.04320 0.00052 -0.01051 0.02194 -0.00997 53 9PZ 0.00096 0.03006 -0.02540 0.02478 -0.00163 54 10PX -0.00084 0.00853 0.00667 0.02387 -0.02533 55 10PY 0.03363 0.00145 -0.00873 0.01756 -0.00774 56 10PZ 0.00195 0.02635 -0.01912 0.01861 -0.00121 57 11XX 0.00254 0.01714 0.00118 -0.00240 0.00154 58 11YY 0.00615 0.01833 0.00032 -0.00340 0.00136 59 11ZZ 0.00382 0.02034 -0.00319 -0.00132 0.00188 60 11XY 0.00457 -0.00064 0.00042 0.00033 -0.00012 61 11XZ -0.00167 -0.00030 0.00131 0.00105 -0.00126 62 11YZ 0.00266 -0.00012 -0.00029 0.00084 -0.00036 63 12XX 0.00214 0.00884 -0.00181 0.00055 0.00080 64 12YY 0.00191 0.00855 -0.00175 0.00033 0.00151 65 12ZZ 0.00189 0.00565 0.00217 -0.00318 0.00090 66 12XY 0.00003 0.00007 -0.00020 -0.00001 -0.00002 67 12XZ 0.00026 -0.00007 -0.00162 -0.00148 0.00155 68 12YZ -0.00298 -0.00002 0.00060 -0.00143 0.00046 69 4 Br 1S -0.00805 0.00020 0.00002 -0.00015 -0.00037 70 2S 0.03891 -0.00086 -0.00021 0.00059 0.00195 71 3S -0.02690 0.00047 0.00032 -0.00020 -0.00160 72 4S -0.04088 0.00071 0.00072 -0.00014 -0.00274 73 5S 0.00067 0.00070 -0.00143 -0.00086 0.00151 74 6S 0.00238 -0.00090 0.00108 -0.00064 0.00063 75 7PX 0.00172 -0.00061 0.00140 0.00014 -0.00083 76 7PY -0.00144 0.00018 -0.00043 -0.00042 0.00093 77 7PZ 0.00030 0.00093 0.00000 0.00013 0.00000 78 8PX -0.00460 0.00106 -0.00528 -0.00021 0.00418 79 8PY -0.00280 -0.00010 0.00139 0.00107 -0.00221 80 8PZ -0.00070 -0.00087 -0.00014 -0.00037 -0.00001 81 9PX 0.00826 -0.00162 0.01003 0.00046 -0.00828 82 9PY 0.00792 0.00001 -0.00254 -0.00183 0.00380 83 9PZ 0.00122 0.00076 0.00031 0.00066 0.00002 84 10PX 0.00546 -0.00100 0.00817 -0.00022 -0.00666 85 10PY 0.00608 -0.00011 -0.00036 -0.00223 0.00247 86 10PZ 0.00090 0.00020 0.00004 0.00063 0.00009 87 11XX 0.01698 -0.00031 -0.00026 0.00013 0.00063 88 11YY 0.01606 -0.00039 -0.00003 0.00019 0.00089 89 11ZZ 0.01570 -0.00021 -0.00007 0.00029 0.00107 90 11XY 0.00002 -0.00013 -0.00024 -0.00003 -0.00001 91 11XZ -0.00009 0.00010 0.00003 -0.00003 -0.00003 92 11YZ -0.00007 0.00048 -0.00003 0.00000 0.00000 93 12XX 0.00387 0.00012 -0.00014 0.00007 0.00017 94 12YY 0.00533 0.00012 0.00003 -0.00015 0.00026 95 12ZZ 0.00443 0.00009 -0.00024 0.00027 0.00008 96 12XY -0.00035 -0.00005 0.00002 -0.00015 0.00012 97 12XZ 0.00006 -0.00008 -0.00009 0.00001 0.00000 98 12YZ 0.00001 0.00007 0.00004 0.00007 -0.00003 99 5 Cl 1S 0.00172 -0.00006 0.00003 -0.00026 0.00014 100 2S -0.00625 0.00018 -0.00017 0.00112 -0.00064 101 2PX -0.00019 0.00060 -0.00228 -0.00041 0.00205 102 2PY 0.00107 0.00035 -0.00213 -0.00132 0.00285 103 2PZ 0.00016 -0.00081 0.00024 -0.00003 -0.00048 104 3S 0.00407 0.00023 -0.00009 -0.00224 0.00188 105 3PX 0.00438 -0.00116 0.00640 0.00157 -0.00637 106 3PY -0.00285 -0.00058 0.00583 0.00346 -0.00719 107 3PZ -0.00043 0.00072 -0.00054 0.00005 0.00129 108 4S -0.00249 0.00004 0.00246 -0.00254 0.00077 109 4PX 0.00276 -0.00052 0.00355 0.00069 -0.00366 110 4PY 0.00063 -0.00031 0.00135 0.00258 -0.00336 111 4PZ -0.00041 -0.00004 -0.00038 0.00006 0.00070 112 5XX 0.00015 -0.00002 0.00002 0.00010 -0.00010 113 5YY 0.00047 0.00002 -0.00016 -0.00004 0.00010 114 5ZZ -0.00001 -0.00001 0.00001 0.00020 -0.00018 115 5XY 0.00023 -0.00001 -0.00006 0.00016 -0.00011 116 5XZ -0.00005 0.00001 -0.00003 -0.00001 0.00001 117 5YZ -0.00007 -0.00006 -0.00005 0.00001 -0.00002 118 6 Cl 1S -0.00064 0.00237 0.00097 -0.00154 0.00201 119 2S 0.00268 -0.00941 -0.00400 0.00684 -0.00834 120 2PX -0.00243 0.00960 0.00249 -0.01609 0.01582 121 2PY -0.01031 0.00202 0.00552 -0.00790 0.00251 122 2PZ 0.00120 -0.01138 -0.02078 0.01149 0.00356 123 3S -0.00354 0.01271 0.00696 -0.01341 0.01797 124 3PX -0.00228 -0.01209 -0.00190 0.04160 -0.03770 125 3PY 0.03834 -0.00275 -0.01366 0.02029 -0.00612 126 3PZ -0.00318 0.03697 0.04734 -0.03176 -0.01520 127 4S -0.00324 0.01136 0.00561 -0.00776 0.00657 128 4PX 0.00030 -0.00892 -0.00285 0.02027 -0.01695 129 4PY 0.01800 -0.00197 -0.00747 0.01000 -0.00237 130 4PZ -0.00209 0.01743 0.02192 -0.01454 -0.00700 131 5XX 0.00007 -0.00065 -0.00086 0.00059 -0.00021 132 5YY 0.00033 -0.00065 -0.00139 0.00121 0.00022 133 5ZZ -0.00022 0.00138 0.00281 -0.00203 -0.00063 134 5XY -0.00008 -0.00002 0.00008 0.00013 -0.00030 135 5XZ -0.00021 -0.00033 0.00045 0.00168 -0.00140 136 5YZ 0.00159 -0.00003 -0.00009 0.00055 -0.00028 137 7 Cl 1S 0.00535 -0.00016 -0.00188 0.00419 -0.00191 138 2S -0.01961 0.00061 0.00794 -0.01836 0.00810 139 2PX 0.00364 -0.00050 0.01860 -0.02586 0.00739 140 2PY -0.01611 0.00104 0.01606 -0.02932 0.01827 141 2PZ 0.00071 -0.02490 -0.00058 0.00117 -0.00077 142 3S 0.01770 -0.00043 -0.01544 0.03421 -0.01559 143 3PX -0.01138 0.00293 -0.04802 0.06004 -0.01833 144 3PY 0.04479 -0.00298 -0.04462 0.05577 -0.04947 145 3PZ -0.00156 0.08340 0.00156 -0.00276 0.00203 146 4S 0.01052 0.00034 -0.00156 0.00882 0.00020 147 4PX -0.00847 0.00145 -0.02171 0.02761 -0.00772 148 4PY 0.02017 -0.00104 -0.01525 0.01971 -0.01720 149 4PZ -0.00114 0.04172 0.00067 -0.00149 0.00116 150 5XX -0.00108 0.00012 0.00043 -0.00075 0.00098 151 5YY 0.00150 -0.00016 -0.00193 0.00236 -0.00323 152 5ZZ -0.00072 -0.00001 0.00113 -0.00173 0.00142 153 5XY 0.00051 0.00004 -0.00238 0.00272 -0.00126 154 5XZ -0.00009 0.00065 -0.00001 -0.00007 0.00008 155 5YZ -0.00004 0.00274 0.00000 -0.00012 0.00016 156 8 Cl 1S -0.00506 0.00040 0.00078 0.00149 -0.00187 157 2S 0.01869 -0.00148 -0.00360 -0.00661 0.00793 158 2PX -0.00916 0.00088 0.01692 -0.02859 0.01396 159 2PY -0.02559 -0.00145 0.02047 -0.01220 -0.01276 160 2PZ -0.00109 -0.02469 -0.00248 -0.00306 0.00589 161 3S -0.01565 0.00142 0.00669 0.01171 -0.01524 162 3PX 0.03912 -0.00226 -0.04956 0.06387 -0.03644 163 3PY 0.08043 0.00573 -0.04335 0.03983 0.03545 164 3PZ 0.00442 0.08263 0.00547 0.00667 -0.01518 165 4S -0.00802 0.00133 0.00341 0.00382 0.00026 166 4PX 0.02225 -0.00129 -0.02527 0.03193 -0.01377 167 4PY 0.03889 0.00255 -0.02301 0.02213 0.01160 168 4PZ 0.00269 0.04131 0.00290 0.00363 -0.00748 169 5XX 0.00195 -0.00009 -0.00176 0.00175 -0.00057 170 5YY -0.00259 -0.00035 0.00146 -0.00143 -0.00158 171 5ZZ 0.00063 0.00038 -0.00001 -0.00051 0.00133 172 5XY 0.00128 0.00018 0.00023 -0.00070 0.00259 173 5XZ 0.00021 0.00172 -0.00007 0.00031 -0.00049 174 5YZ 0.00014 -0.00217 -0.00021 -0.00007 0.00058 36 37 38 39 40 36 5XY 0.01991 37 5XZ -0.00081 0.01510 38 5YZ 0.00064 0.00080 0.01144 39 3 Br 1S -0.00010 -0.00037 -0.00012 2.39610 40 2S 0.00100 0.00429 0.00136 -1.27305 4.75572 41 3S -0.00167 -0.00759 -0.00238 0.48996 -2.60249 42 4S -0.00329 -0.01403 -0.00446 0.74739 -3.79990 43 5S 0.00335 0.01605 0.00522 0.13822 -0.51121 44 6S 0.00384 0.01044 0.00320 0.23571 -1.03500 45 7PX -0.00284 -0.00563 -0.00292 -0.00001 -0.00015 46 7PY 0.00398 -0.00288 0.00317 -0.00001 0.00038 47 7PZ -0.00305 -0.00819 -0.00243 -0.00022 0.00780 48 8PX 0.00811 0.01800 0.00953 -0.00001 0.00015 49 8PY -0.01290 0.00948 -0.01129 0.00008 -0.00070 50 8PZ 0.01005 0.02608 0.00766 0.00188 -0.01505 51 9PX -0.01459 -0.03289 -0.01743 -0.00011 0.00040 52 9PY 0.02397 -0.01739 0.02079 0.00001 0.00040 53 9PZ -0.01840 -0.04789 -0.01403 -0.00035 0.01076 54 10PX -0.01219 -0.02480 -0.01395 0.00069 -0.00344 55 10PY 0.01858 -0.01384 0.01850 -0.00097 0.00507 56 10PZ -0.01386 -0.03631 -0.01076 -0.01911 0.09999 57 11XX 0.00123 0.00319 0.00060 -0.39359 1.82867 58 11YY 0.00119 0.00409 0.00171 -0.39380 1.83033 59 11ZZ -0.00057 0.00134 0.00039 -0.39367 1.82921 60 11XY -0.00030 -0.00057 0.00075 0.00007 -0.00051 61 11XZ -0.00025 -0.00161 -0.00080 0.00001 -0.00005 62 11YZ 0.00072 -0.00083 0.00081 0.00001 -0.00006 63 12XX -0.00069 0.00095 0.00063 -0.12749 0.60825 64 12YY -0.00062 0.00037 -0.00035 -0.12698 0.60286 65 12ZZ 0.00192 0.00478 0.00152 -0.12714 0.60595 66 12XY 0.00030 0.00051 -0.00079 -0.00020 0.00181 67 12XZ 0.00052 0.00183 0.00102 -0.00006 0.00031 68 12YZ -0.00147 0.00114 -0.00123 0.00001 0.00010 69 4 Br 1S 0.00014 -0.00006 -0.00002 -0.00009 0.00001 70 2S -0.00048 0.00020 0.00013 0.00002 0.00257 71 3S 0.00000 -0.00003 -0.00011 0.00081 -0.00537 72 4S -0.00040 0.00008 -0.00019 0.00014 -0.00315 73 5S 0.00002 -0.00025 0.00012 -0.00338 0.01541 74 6S 0.00619 -0.00109 0.00015 0.01226 -0.05943 75 7PX -0.00018 0.00010 -0.00004 -0.00030 0.00216 76 7PY 0.00015 -0.00020 0.00008 0.00018 -0.00063 77 7PZ -0.00003 0.00067 0.00060 0.00022 -0.00195 78 8PX 0.00056 -0.00053 0.00012 0.00097 -0.00631 79 8PY -0.00008 0.00052 -0.00015 -0.00044 0.00270 80 8PZ 0.00019 -0.00122 -0.00205 -0.00079 0.00525 81 9PX -0.00110 0.00106 -0.00024 -0.00147 0.00997 82 9PY 0.00002 -0.00093 0.00024 0.00091 -0.00551 83 9PZ -0.00036 0.00189 0.00386 0.00114 -0.00802 84 10PX -0.00219 0.00120 -0.00012 -0.00429 0.02250 85 10PY 0.00103 -0.00063 0.00027 0.00066 -0.00388 86 10PZ -0.00044 0.00241 0.00347 0.00330 -0.01814 87 11XX -0.00009 0.00004 0.00005 -0.00081 0.00553 88 11YY -0.00026 0.00008 0.00006 -0.00075 0.00523 89 11ZZ -0.00006 0.00006 0.00006 -0.00066 0.00472 90 11XY -0.00005 -0.00001 -0.00002 0.00004 -0.00036 91 11XZ -0.00001 -0.00017 -0.00006 -0.00007 0.00026 92 11YZ 0.00002 0.00014 0.00001 -0.00007 0.00031 93 12XX -0.00078 0.00022 0.00000 -0.00165 0.00821 94 12YY -0.00050 0.00012 0.00006 -0.00236 0.01179 95 12ZZ -0.00091 0.00014 -0.00002 -0.00259 0.01292 96 12XY -0.00017 -0.00005 0.00002 -0.00018 0.00101 97 12XZ 0.00003 0.00013 0.00016 0.00021 -0.00083 98 12YZ -0.00005 -0.00003 0.00013 0.00053 -0.00268 99 5 Cl 1S -0.00017 -0.00004 0.00000 0.00000 -0.00006 100 2S 0.00080 0.00017 -0.00003 -0.00026 0.00144 101 2PX -0.00151 -0.00008 0.00015 0.00056 -0.00372 102 2PY -0.00119 -0.00057 0.00023 0.00059 -0.00354 103 2PZ -0.00012 -0.00151 0.00103 -0.00067 0.00453 104 3S -0.00158 -0.00038 0.00006 -0.00070 0.00324 105 3PX 0.00455 0.00033 -0.00044 -0.00133 0.00882 106 3PY 0.00337 0.00149 -0.00068 -0.00160 0.00976 107 3PZ 0.00034 0.00349 -0.00311 0.00158 -0.01070 108 4S -0.00181 -0.00022 -0.00001 0.00482 -0.02274 109 4PX 0.00355 0.00038 -0.00016 -0.00283 0.01446 110 4PY 0.00164 0.00082 -0.00036 -0.00121 0.00641 111 4PZ 0.00025 0.00269 -0.00159 0.00287 -0.01556 112 5XX 0.00025 0.00003 0.00001 -0.00011 0.00053 113 5YY -0.00010 0.00004 0.00002 -0.00008 0.00028 114 5ZZ 0.00006 0.00000 -0.00002 -0.00032 0.00159 115 5XY 0.00009 0.00008 0.00001 0.00026 -0.00133 116 5XZ -0.00001 0.00011 -0.00009 0.00011 -0.00051 117 5YZ 0.00000 0.00018 0.00002 -0.00018 0.00097 118 6 Cl 1S 0.00049 -0.00312 -0.00046 -0.00004 0.00000 119 2S -0.00209 0.01363 0.00202 -0.00060 0.00346 120 2PX 0.00738 -0.02454 -0.00591 0.00005 -0.00033 121 2PY -0.01394 -0.00597 0.01077 -0.00005 0.00041 122 2PZ -0.00643 0.02138 0.00352 -0.00103 0.00765 123 3S 0.00385 -0.02637 -0.00379 -0.00167 0.00805 124 3PX -0.01811 0.06006 0.01475 -0.00016 0.00100 125 3PY 0.03623 0.01484 -0.02801 0.00012 -0.00090 126 3PZ 0.01566 -0.05243 -0.00872 0.00222 -0.01666 127 4S 0.00263 -0.01506 -0.00234 0.01254 -0.05929 128 4PX -0.00968 0.02639 0.00721 0.00017 -0.00074 129 4PY 0.01811 0.00714 -0.01617 0.00038 -0.00198 130 4PZ 0.00698 -0.02520 -0.00407 0.00743 -0.03848 131 5XX -0.00049 0.00001 -0.00034 -0.00086 0.00411 132 5YY -0.00039 0.00120 0.00038 -0.00093 0.00453 133 5ZZ 0.00110 -0.00127 -0.00009 -0.00094 0.00397 134 5XY 0.00021 -0.00033 0.00060 0.00000 -0.00004 135 5XZ -0.00047 0.00281 0.00059 0.00001 -0.00004 136 5YZ 0.00118 0.00060 -0.00086 0.00000 -0.00002 137 7 Cl 1S 0.00236 -0.00011 -0.00007 0.00000 -0.00006 138 2S -0.01026 0.00047 0.00034 -0.00025 0.00137 139 2PX 0.02010 -0.00051 0.00059 -0.00054 0.00350 140 2PY -0.02913 0.00162 0.00090 -0.00064 0.00393 141 2PZ 0.00064 0.01032 0.02988 -0.00062 0.00425 142 3S 0.01993 -0.00068 -0.00055 -0.00067 0.00308 143 3PX -0.05198 0.00132 -0.00131 0.00126 -0.00833 144 3PY 0.06776 -0.00383 -0.00208 0.00173 -0.01066 145 3PZ -0.00144 -0.02595 -0.07548 0.00141 -0.00972 146 4S 0.00453 -0.00073 -0.00018 0.00448 -0.02107 147 4PX -0.02972 0.00095 -0.00051 0.00264 -0.01342 148 4PY 0.02888 -0.00182 -0.00107 0.00134 -0.00719 149 4PZ -0.00062 -0.01326 -0.04217 0.00306 -0.01641 150 5XX -0.00186 0.00003 0.00007 -0.00006 0.00033 151 5YY 0.00286 -0.00012 -0.00015 -0.00006 0.00018 152 5ZZ -0.00097 0.00009 0.00008 -0.00035 0.00176 153 5XY -0.00016 -0.00008 -0.00004 0.00024 -0.00127 154 5XZ 0.00000 0.00026 -0.00085 -0.00010 0.00044 155 5YZ 0.00001 -0.00035 -0.00213 0.00019 -0.00098 156 8 Cl 1S -0.00419 0.00038 -0.00049 0.00000 -0.00005 157 2S 0.01817 -0.00165 0.00211 -0.00026 0.00145 158 2PX 0.02250 -0.00221 0.00553 -0.00074 0.00474 159 2PY -0.03177 0.00479 -0.00346 0.00029 -0.00161 160 2PZ 0.00551 0.02156 -0.02194 -0.00067 0.00456 161 3S -0.03462 0.00338 -0.00391 -0.00071 0.00331 162 3PX -0.05018 0.00494 -0.01311 0.00184 -0.01180 163 3PY 0.07235 -0.01137 0.00785 -0.00087 0.00504 164 3PZ -0.01310 -0.05442 0.05557 0.00156 -0.01059 165 4S -0.00747 0.00012 -0.00076 0.00479 -0.02261 166 4PX -0.01680 0.00184 -0.00588 0.00294 -0.01510 167 4PY 0.02909 -0.00496 0.00308 0.00021 -0.00082 168 4PZ -0.00600 -0.02941 0.03173 0.00313 -0.01680 169 5XX -0.00069 0.00002 -0.00039 0.00007 -0.00041 170 5YY -0.00126 0.00034 -0.00022 -0.00029 0.00139 171 5ZZ 0.00182 -0.00033 0.00053 -0.00034 0.00168 172 5XY 0.00375 -0.00039 0.00063 -0.00015 0.00086 173 5XZ -0.00052 -0.00059 0.00147 0.00002 -0.00016 174 5YZ 0.00058 0.00099 -0.00117 -0.00023 0.00115 41 42 43 44 45 41 3S 2.02031 42 4S 2.99277 4.46656 43 5S 0.06177 -0.09053 1.04450 44 6S 0.52313 0.66279 0.62625 0.60444 45 7PX 0.00046 0.00034 -0.00143 0.00406 2.30218 46 7PY -0.00084 -0.00086 0.00149 -0.00309 -0.00081 47 7PZ -0.01663 -0.01751 0.02836 -0.05414 0.00001 48 8PX -0.00035 -0.00040 0.00188 -0.00340 -0.85732 49 8PY 0.00106 0.00166 -0.00219 -0.00057 0.00241 50 8PZ 0.02213 0.03548 -0.04263 -0.02025 -0.00003 51 9PX 0.00002 0.00016 -0.00232 0.00301 0.05034 52 9PY -0.00107 -0.00236 0.00293 0.00456 -0.00514 53 9PZ -0.02387 -0.05257 0.05800 0.10392 0.00009 54 10PX 0.00258 0.00392 -0.00183 0.00312 0.12766 55 10PY -0.00420 -0.00687 0.00311 0.00180 -0.00179 56 10PZ -0.08299 -0.13733 0.05912 0.04695 -0.00030 57 11XX -1.13786 -1.66981 -0.14988 -0.38650 -0.00053 58 11YY -1.13999 -1.67412 -0.13744 -0.40531 -0.00029 59 11ZZ -1.13848 -1.67117 -0.15287 -0.37569 -0.00031 60 11XY 0.00062 0.00128 -0.00324 0.00446 0.00016 61 11XZ 0.00004 0.00009 0.00025 -0.00078 0.00385 62 11YZ 0.00009 0.00017 -0.00103 0.00210 0.00042 63 12XX -0.40490 -0.60096 -0.00811 -0.12077 -0.00041 64 12YY -0.39580 -0.58393 -0.02789 -0.13108 -0.00116 65 12ZZ -0.40218 -0.59588 -0.01239 -0.12649 -0.00102 66 12XY -0.00276 -0.00511 0.00559 0.00311 -0.00055 67 12XZ -0.00022 -0.00033 0.00015 -0.00021 -0.01193 68 12YZ -0.00033 -0.00063 0.00094 0.00022 -0.00069 69 4 Br 1S 0.00083 0.00011 -0.00421 0.01458 0.00016 70 2S -0.00545 -0.00296 0.01927 -0.07052 -0.00190 71 3S 0.00451 0.00331 -0.01278 0.04737 0.00317 72 4S 0.00360 0.00029 -0.01960 0.07018 0.00415 73 5S -0.01038 -0.01551 -0.00087 0.00248 -0.01117 74 6S 0.03992 0.05843 0.00429 0.00756 0.02176 75 7PX -0.00272 -0.00473 0.00841 -0.00677 0.00190 76 7PY 0.00014 0.00117 -0.00405 0.00428 -0.00096 77 7PZ 0.00281 0.00445 -0.00326 -0.00415 -0.00126 78 8PX 0.00726 0.01407 -0.01142 -0.02300 -0.00578 79 8PY -0.00296 -0.00521 0.01495 -0.02711 0.00302 80 8PZ -0.00620 -0.01208 0.00283 0.04032 0.00387 81 9PX -0.01202 -0.02413 0.01493 0.05867 0.01159 82 9PY 0.00591 0.00945 -0.02777 0.05473 -0.00553 83 9PZ 0.00993 0.02062 -0.00193 -0.08389 -0.00750 84 10PX -0.01859 -0.03180 0.00782 0.04185 0.00241 85 10PY 0.00402 0.00609 -0.01908 0.04161 -0.00287 86 10PZ 0.01642 0.02945 -0.00363 -0.06561 -0.00516 87 11XX -0.00411 -0.00412 0.00524 -0.02233 -0.00230 88 11YY -0.00391 -0.00362 0.00929 -0.03458 -0.00174 89 11ZZ -0.00342 -0.00268 0.00759 -0.03269 -0.00208 90 11XY 0.00055 0.00076 -0.00069 -0.00094 0.00013 91 11XZ 0.00001 -0.00032 0.00022 -0.00060 0.00034 92 11YZ -0.00014 -0.00052 -0.00163 0.00559 -0.00028 93 12XX -0.00543 -0.00709 0.00160 -0.01306 -0.00348 94 12YY -0.00813 -0.01151 0.00085 -0.00570 -0.00505 95 12ZZ -0.00900 -0.01288 0.00285 -0.00938 -0.00445 96 12XY -0.00092 -0.00166 0.00161 0.00026 -0.00097 97 12XZ 0.00026 0.00008 0.00042 0.00369 -0.00060 98 12YZ 0.00207 0.00339 -0.00029 -0.00359 0.00058 99 5 Cl 1S 0.00016 0.00022 -0.00098 0.00256 -0.00031 100 2S -0.00130 -0.00198 0.00388 -0.00946 0.00084 101 2PX 0.00433 0.00848 -0.00274 -0.02561 -0.00198 102 2PY 0.00368 0.00728 -0.01226 0.00973 -0.00312 103 2PZ -0.00547 -0.01019 0.00434 0.02615 0.00282 104 3S -0.00203 -0.00232 -0.00234 0.00384 -0.00405 105 3PX -0.01029 -0.02122 0.00047 0.08704 0.00549 106 3PY -0.01045 -0.01845 0.03254 -0.03330 0.00809 107 3PZ 0.01286 0.02540 -0.00674 -0.08245 -0.00758 108 4S 0.01471 0.02171 0.00475 -0.00030 0.00755 109 4PX -0.01139 -0.01945 -0.00209 0.03975 -0.00098 110 4PY -0.00547 -0.00889 0.01093 -0.01499 0.00120 111 4PZ 0.01379 0.02389 -0.00500 -0.03959 -0.00283 112 5XX -0.00041 -0.00063 0.00074 -0.00163 -0.00054 113 5YY 0.00000 0.00014 -0.00213 0.00262 -0.00062 114 5ZZ -0.00120 -0.00192 0.00087 -0.00040 -0.00034 115 5XY 0.00108 0.00187 -0.00034 -0.00292 0.00052 116 5XZ 0.00027 0.00034 -0.00001 0.00111 -0.00026 117 5YZ -0.00082 -0.00145 0.00018 0.00289 -0.00053 118 6 Cl 1S 0.00037 -0.00002 -0.00228 0.00790 -0.00002 119 2S -0.00351 -0.00327 0.00932 -0.03156 0.00003 120 2PX 0.00037 0.00068 -0.00047 -0.00095 0.00289 121 2PY -0.00056 -0.00085 0.00096 0.00025 0.00013 122 2PZ -0.01035 -0.01621 0.01438 0.01395 0.00027 123 3S -0.00562 -0.00947 -0.00451 0.02500 -0.00022 124 3PX -0.00109 -0.00184 0.00205 0.00003 -0.00831 125 3PY 0.00124 0.00203 -0.00242 -0.00116 -0.00043 126 3PZ 0.02275 0.03858 -0.03434 -0.04959 -0.00074 127 4S 0.03856 0.05558 0.00014 0.03659 0.00068 128 4PX 0.00037 0.00046 0.00072 0.00016 0.00460 129 4PY 0.00163 0.00253 -0.00121 -0.00012 0.00127 130 4PZ 0.03146 0.04876 -0.01842 -0.00834 -0.00018 131 5XX -0.00268 -0.00415 -0.00046 0.00241 -0.00013 132 5YY -0.00311 -0.00476 0.00107 -0.00054 -0.00008 133 5ZZ -0.00156 -0.00172 -0.00261 -0.00643 0.00002 134 5XY 0.00005 0.00007 -0.00036 0.00076 0.00002 135 5XZ 0.00000 -0.00002 0.00007 0.00020 0.00073 136 5YZ 0.00008 0.00016 -0.00024 -0.00028 -0.00004 137 7 Cl 1S 0.00015 0.00021 -0.00096 0.00252 0.00031 138 2S -0.00123 -0.00190 0.00381 -0.00936 -0.00082 139 2PX -0.00402 -0.00803 0.00233 0.02496 -0.00185 140 2PY -0.00418 -0.00815 0.01321 -0.00910 -0.00329 141 2PZ -0.00519 -0.00975 0.00267 0.02976 -0.00255 142 3S -0.00195 -0.00220 -0.00250 0.00476 0.00408 143 3PX 0.00959 0.02008 0.00082 -0.08545 0.00519 144 3PY 0.01158 0.02062 -0.03440 0.02981 0.00856 145 3PZ 0.01181 0.02411 -0.00141 -0.09527 0.00690 146 4S 0.01357 0.01999 0.00469 0.00016 -0.00782 147 4PX 0.01043 0.01791 0.00300 -0.03879 -0.00151 148 4PY 0.00632 0.01042 -0.01200 0.01311 0.00150 149 4PZ 0.01425 0.02479 -0.00282 -0.04583 0.00249 150 5XX -0.00027 -0.00042 0.00074 -0.00176 0.00061 151 5YY 0.00007 0.00026 -0.00209 0.00234 0.00063 152 5ZZ -0.00133 -0.00214 0.00085 0.00002 0.00049 153 5XY 0.00104 0.00182 -0.00044 -0.00275 -0.00048 154 5XZ -0.00024 -0.00029 0.00006 -0.00112 -0.00022 155 5YZ 0.00079 0.00138 0.00022 -0.00345 -0.00056 156 8 Cl 1S 0.00016 0.00020 -0.00107 0.00286 0.00044 157 2S -0.00130 -0.00195 0.00421 -0.01055 -0.00135 158 2PX -0.00531 -0.01047 0.00803 0.01696 -0.00418 159 2PY 0.00151 0.00292 -0.01054 0.02167 0.00188 160 2PZ -0.00551 -0.01036 0.00405 0.02791 -0.00353 161 3S -0.00211 -0.00247 -0.00267 0.00537 0.00551 162 3PX 0.01333 0.02627 -0.01481 -0.05967 0.01124 163 3PY -0.00512 -0.00754 0.03095 -0.07246 -0.00467 164 3PZ 0.01275 0.02566 -0.00521 -0.08920 0.00947 165 4S 0.01462 0.02152 0.00467 0.00039 -0.00713 166 4PX 0.01199 0.02030 -0.00273 -0.02723 0.00126 167 4PY 0.00015 0.00068 0.01158 -0.03251 -0.00200 168 4PZ 0.01462 0.02537 -0.00422 -0.04312 0.00398 169 5XX 0.00040 0.00079 -0.00011 -0.00270 0.00018 170 5YY -0.00093 -0.00146 -0.00129 0.00380 0.00120 171 5ZZ -0.00125 -0.00198 0.00087 -0.00059 0.00040 172 5XY -0.00079 -0.00141 0.00157 -0.00045 0.00019 173 5XZ 0.00025 0.00055 -0.00003 -0.00253 -0.00065 174 5YZ -0.00089 -0.00151 0.00013 0.00217 0.00038 46 47 48 49 50 46 7PY 2.30561 47 7PZ -0.00016 2.30277 48 8PX 0.00241 -0.00003 2.44694 49 8PY -0.86743 0.00047 -0.00698 2.47620 50 8PZ 0.00047 -0.85891 0.00008 -0.00140 2.45090 51 9PX -0.00514 0.00006 -0.29769 0.01325 -0.00015 52 9PY 0.07210 -0.00096 0.01323 -0.35318 0.00262 53 9PZ -0.00098 0.05462 -0.00017 0.00265 -0.30587 54 10PX -0.00180 -0.00007 -0.28687 0.01420 0.00021 55 10PY 0.13405 -0.00076 0.01429 -0.34574 0.00340 56 10PZ -0.00065 0.12056 0.00037 0.00327 -0.28356 57 11XX 0.00057 0.01159 0.00056 -0.00031 -0.00819 58 11YY 0.00070 0.01002 -0.00006 -0.00071 -0.00413 59 11ZZ 0.00059 0.01461 -0.00004 -0.00036 -0.01653 60 11XY 0.00000 0.00044 -0.00044 0.00000 -0.00113 61 11XZ 0.00043 -0.00001 -0.01075 -0.00119 0.00001 62 11YZ 0.00207 0.00018 -0.00118 -0.00582 -0.00047 63 12XX 0.00109 0.01939 -0.00028 -0.00089 -0.01227 64 12YY 0.00043 0.02257 0.00108 0.00118 -0.01650 65 12ZZ 0.00111 0.00627 0.00099 -0.00096 0.02145 66 12XY 0.00011 -0.00090 0.00123 -0.00031 0.00118 67 12XZ -0.00072 0.00017 0.02830 0.00119 -0.00036 68 12YZ -0.00883 -0.00051 0.00116 0.02339 0.00104 69 4 Br 1S -0.00007 -0.00016 -0.00066 0.00034 0.00039 70 2S 0.00102 0.00050 0.00463 -0.00233 -0.00233 71 3S -0.00176 0.00007 -0.00580 0.00284 0.00235 72 4S -0.00242 -0.00101 -0.01051 0.00571 0.00473 73 5S 0.00182 0.00237 0.01543 0.00088 -0.00710 74 6S 0.00000 0.00001 -0.00495 -0.02609 0.00655 75 7PX -0.00079 -0.00114 -0.00579 0.00249 0.00354 76 7PY -0.00016 0.00042 0.00303 0.00047 -0.00136 77 7PZ 0.00030 0.00033 0.00388 -0.00102 -0.00107 78 8PX 0.00249 0.00353 0.01754 -0.00783 -0.01102 79 8PY 0.00047 -0.00136 -0.00951 -0.00132 0.00445 80 8PZ -0.00102 -0.00107 -0.01188 0.00350 0.00353 81 9PX -0.00454 -0.00653 -0.03309 0.01451 0.02032 82 9PY -0.00095 0.00227 0.01757 0.00231 -0.00823 83 9PZ 0.00177 0.00186 0.02235 -0.00706 -0.00670 84 10PX -0.00554 -0.00410 -0.02300 0.01816 0.01506 85 10PY 0.00015 0.00156 0.01198 -0.00012 -0.00242 86 10PZ 0.00243 0.00237 0.02036 -0.00463 -0.00614 87 11XX 0.00139 -0.00026 0.00322 -0.00176 -0.00156 88 11YY 0.00104 -0.00058 0.00182 -0.00074 -0.00075 89 11ZZ 0.00121 -0.00051 0.00276 -0.00123 -0.00091 90 11XY 0.00009 -0.00002 -0.00024 -0.00019 0.00005 91 11XZ -0.00017 -0.00010 -0.00111 0.00063 0.00041 92 11YZ -0.00001 0.00010 0.00067 -0.00001 -0.00027 93 12XX 0.00057 -0.00124 0.00131 0.00293 0.00002 94 12YY 0.00107 -0.00048 0.00339 0.00184 -0.00058 95 12ZZ 0.00071 -0.00021 0.00214 0.00275 -0.00182 96 12XY -0.00054 0.00034 0.00140 0.00107 -0.00091 97 12XZ 0.00040 0.00001 0.00189 -0.00183 -0.00060 98 12YZ 0.00018 -0.00022 -0.00042 -0.00039 0.00029 99 5 Cl 1S -0.00039 0.00020 0.00091 0.00116 -0.00062 100 2S 0.00139 -0.00081 -0.00350 -0.00512 0.00257 101 2PX -0.00286 0.00236 0.00591 0.00885 -0.00731 102 2PY -0.00185 0.00219 0.00971 0.00596 -0.00699 103 2PZ 0.00219 -0.00127 -0.00856 -0.00703 0.00419 104 3S -0.00452 0.00241 0.01031 0.01186 -0.00698 105 3PX 0.00768 -0.00621 -0.01563 -0.02349 0.01905 106 3PY 0.00479 -0.00548 -0.02508 -0.01593 0.01801 107 3PZ -0.00581 0.00325 0.02242 0.01914 -0.01127 108 4S 0.00159 -0.00147 -0.00493 0.01403 0.00156 109 4PX 0.00352 -0.00268 -0.00573 -0.01530 0.01175 110 4PY 0.00290 -0.00232 -0.00946 -0.01024 0.00635 111 4PZ -0.00361 0.00266 0.01407 0.01025 -0.00646 112 5XX -0.00004 -0.00035 0.00013 -0.00108 0.00068 113 5YY -0.00069 0.00008 0.00057 0.00063 -0.00022 114 5ZZ -0.00025 -0.00002 -0.00039 -0.00062 0.00004 115 5XY 0.00039 -0.00039 -0.00086 -0.00085 0.00070 116 5XZ -0.00040 0.00020 0.00081 0.00135 -0.00079 117 5YZ -0.00035 0.00029 0.00112 0.00094 -0.00077 118 6 Cl 1S 0.00004 0.00088 0.00004 -0.00013 -0.00264 119 2S -0.00017 -0.00355 -0.00019 0.00058 0.01180 120 2PX 0.00013 0.00035 -0.00836 -0.00045 -0.00109 121 2PY 0.00246 -0.00060 -0.00044 -0.00695 0.00185 122 2PZ -0.00059 -0.00946 -0.00085 0.00181 0.02969 123 3S 0.00046 0.00959 0.00038 -0.00120 -0.02630 124 3PX -0.00045 -0.00096 0.02233 0.00154 0.00293 125 3PY -0.00677 0.00162 0.00148 0.01729 -0.00491 126 3PZ 0.00158 0.02525 0.00231 -0.00482 -0.08022 127 4S -0.00006 -0.00032 0.00030 -0.00134 -0.02331 128 4PX 0.00132 -0.00037 0.00325 -0.00333 0.00165 129 4PY -0.00169 0.00092 -0.00303 0.01737 -0.00361 130 4PZ 0.00087 0.01562 0.00125 -0.00341 -0.05057 131 5XX 0.00008 0.00156 0.00025 -0.00020 -0.00372 132 5YY 0.00011 0.00044 0.00003 -0.00018 -0.00059 133 5ZZ -0.00013 -0.00114 -0.00023 0.00046 0.00507 134 5XY -0.00001 0.00030 -0.00008 0.00004 -0.00085 135 5XZ -0.00004 0.00009 -0.00159 0.00008 -0.00027 136 5YZ 0.00087 -0.00013 0.00008 -0.00204 0.00041 137 7 Cl 1S 0.00039 0.00018 -0.00091 -0.00117 -0.00055 138 2S -0.00140 -0.00070 0.00350 0.00513 0.00222 139 2PX -0.00302 -0.00213 0.00550 0.00931 0.00659 140 2PY -0.00211 -0.00223 0.01021 0.00679 0.00710 141 2PZ -0.00220 -0.00108 0.00768 0.00704 0.00353 142 3S 0.00456 0.00217 -0.01036 -0.01207 -0.00633 143 3PX 0.00807 0.00560 -0.01454 -0.02464 -0.01708 144 3PY 0.00544 0.00561 -0.02641 -0.01809 -0.01830 145 3PZ 0.00584 0.00278 -0.02013 -0.01914 -0.00949 146 4S -0.00166 -0.00195 0.00495 -0.01299 0.00372 147 4PX 0.00360 0.00221 -0.00451 -0.01590 -0.01024 148 4PY 0.00315 0.00209 -0.01058 -0.01089 -0.00591 149 4PZ 0.00355 0.00229 -0.01317 -0.01023 -0.00605 150 5XX 0.00002 -0.00028 -0.00024 0.00103 0.00047 151 5YY 0.00061 0.00003 -0.00042 -0.00046 -0.00011 152 5ZZ 0.00028 0.00005 0.00021 0.00052 -0.00010 153 5XY -0.00042 -0.00034 0.00076 0.00093 0.00060 154 5XZ -0.00040 -0.00017 0.00071 0.00134 0.00067 155 5YZ -0.00042 -0.00030 0.00119 0.00111 0.00073 156 8 Cl 1S -0.00020 0.00021 -0.00131 0.00061 -0.00065 157 2S 0.00084 -0.00082 0.00532 -0.00292 0.00265 158 2PX 0.00165 -0.00315 0.01280 -0.00525 0.00982 159 2PY 0.00055 0.00098 -0.00604 -0.00159 -0.00322 160 2PZ 0.00077 -0.00143 0.01085 -0.00268 0.00466 161 3S -0.00218 0.00253 -0.01432 0.00585 -0.00733 162 3PX -0.00432 0.00816 -0.03366 0.01411 -0.02546 163 3PY -0.00148 -0.00235 0.01555 0.00393 0.00823 164 3PZ -0.00200 0.00366 -0.02870 0.00767 -0.01248 165 4S -0.00188 -0.00185 -0.00162 0.01423 0.00239 166 4PX -0.00406 0.00332 -0.01528 0.01216 -0.01333 167 4PY 0.00005 -0.00076 0.00655 0.00079 0.00039 168 4PZ -0.00201 0.00277 -0.01728 0.00320 -0.00717 169 5XX 0.00019 -0.00047 0.00074 -0.00102 0.00086 170 5YY -0.00029 0.00028 -0.00126 0.00030 -0.00053 171 5ZZ -0.00005 0.00001 0.00066 -0.00043 0.00006 172 5XY 0.00016 0.00004 -0.00013 -0.00034 0.00002 173 5XZ 0.00026 -0.00035 0.00176 -0.00093 0.00109 174 5YZ 0.00004 0.00018 -0.00068 -0.00007 -0.00034 51 52 53 54 55 51 9PX 0.64969 52 9PY -0.02346 0.74765 53 9PZ 0.00028 -0.00474 0.66364 54 10PX 0.47587 -0.02989 -0.00040 0.35749 55 10PY -0.03008 0.60092 -0.00673 -0.03136 0.48801 56 10PZ -0.00051 -0.00649 0.47882 -0.00077 -0.00704 57 11XX -0.00072 0.00006 0.00558 -0.00151 0.00211 58 11YY 0.00053 0.00078 -0.00261 -0.00161 0.00282 59 11ZZ 0.00046 0.00019 0.02129 -0.00143 0.00195 60 11XY 0.00084 0.00001 0.00228 0.00012 -0.00004 61 11XZ 0.02056 0.00237 -0.00004 0.00640 0.00004 62 11YZ 0.00233 0.01077 0.00093 0.00017 0.00635 63 12XX 0.00107 0.00074 0.00493 0.00016 0.00139 64 12YY -0.00106 -0.00306 0.01092 -0.00135 -0.00158 65 12ZZ -0.00102 0.00086 -0.05417 -0.00129 0.00183 66 12XY -0.00205 0.00054 -0.00166 -0.00150 0.00052 67 12XZ -0.04860 -0.00180 0.00061 -0.03584 -0.00068 68 12YZ -0.00177 -0.04132 -0.00172 -0.00069 -0.03312 69 4 Br 1S 0.00059 -0.00026 -0.00079 0.00568 -0.00297 70 2S -0.00526 0.00236 0.00469 -0.02864 0.01566 71 3S 0.00793 -0.00351 -0.00483 0.02193 -0.01313 72 4S 0.01631 -0.00853 -0.00865 0.03556 -0.02265 73 5S -0.02040 -0.00476 0.01321 -0.01228 0.00116 74 6S -0.01401 0.05730 -0.01515 -0.00511 0.04008 75 7PX 0.01170 -0.00464 -0.00685 0.00432 -0.00518 76 7PY -0.00573 -0.00103 0.00243 -0.00308 -0.00001 77 7PZ -0.00770 0.00196 0.00191 -0.00630 0.00155 78 8PX -0.03345 0.01477 0.02103 -0.03006 0.01575 79 8PY 0.01848 0.00252 -0.00880 0.00811 0.00143 80 8PZ 0.02279 -0.00769 -0.00688 0.02535 -0.00148 81 9PX 0.06148 -0.02758 -0.03863 0.06226 -0.02883 82 9PY -0.03433 -0.00408 0.01682 -0.01439 -0.00305 83 9PZ -0.04225 0.01599 0.01349 -0.04928 0.00254 84 10PX 0.04935 -0.03424 -0.02925 0.04856 -0.03150 85 10PY -0.02442 -0.00004 0.00438 -0.00896 -0.00156 86 10PZ -0.04037 0.00940 0.01135 -0.04389 -0.00092 87 11XX -0.00432 0.00223 0.00328 -0.01139 0.00736 88 11YY -0.00151 0.00034 0.00164 -0.01306 0.00636 89 11ZZ -0.00348 0.00123 0.00209 -0.01284 0.00721 90 11XY 0.00041 0.00042 0.00005 -0.00133 -0.00004 91 11XZ 0.00200 -0.00104 -0.00066 0.00097 -0.00153 92 11YZ -0.00135 -0.00005 0.00050 0.00064 0.00041 93 12XX 0.00110 -0.00714 0.00147 -0.00334 -0.00250 94 12YY -0.00172 -0.00536 0.00193 -0.00381 -0.00147 95 12ZZ 0.00060 -0.00691 0.00416 -0.00281 -0.00282 96 12XY -0.00170 -0.00170 0.00139 -0.00122 -0.00163 97 12XZ -0.00341 0.00348 0.00130 -0.00193 0.00339 98 12YZ 0.00018 0.00073 -0.00036 -0.00067 0.00014 99 5 Cl 1S -0.00172 -0.00216 0.00109 0.00000 -0.00114 100 2S 0.00710 0.00991 -0.00459 -0.00004 0.00582 101 2PX -0.01127 -0.01656 0.01374 -0.01215 -0.01800 102 2PY -0.01868 -0.01120 0.01349 -0.01108 -0.01089 103 2PZ 0.01608 0.01389 -0.00812 0.01892 0.01115 104 3S -0.01778 -0.02050 0.01223 -0.00761 -0.01685 105 3PX 0.02875 0.04371 -0.03554 0.03817 0.04957 106 3PY 0.04825 0.03079 -0.03544 0.02943 0.02598 107 3PZ -0.04122 -0.03843 0.02262 -0.05319 -0.02884 108 4S 0.00215 -0.03278 -0.00224 0.00327 -0.02385 109 4PX 0.01407 0.03005 -0.02294 0.01832 0.03087 110 4PY 0.02030 0.01954 -0.01199 0.01224 0.01522 111 4PZ -0.02806 -0.01996 0.01177 -0.03201 -0.01432 112 5XX 0.00027 0.00234 -0.00114 -0.00015 0.00168 113 5YY -0.00087 -0.00078 0.00060 -0.00005 -0.00073 114 5ZZ 0.00122 0.00158 -0.00011 0.00070 0.00134 115 5XY 0.00122 0.00140 -0.00100 0.00041 0.00055 116 5XZ -0.00148 -0.00248 0.00147 -0.00079 -0.00201 117 5YZ -0.00182 -0.00159 0.00129 -0.00050 -0.00129 118 6 Cl 1S -0.00009 0.00023 0.00487 0.00002 0.00009 119 2S 0.00043 -0.00109 -0.02207 -0.00001 -0.00048 120 2PX 0.01689 0.00129 0.00207 0.00357 -0.00236 121 2PY 0.00131 0.01234 -0.00348 -0.00257 0.01493 122 2PZ 0.00160 -0.00341 -0.05663 0.00157 -0.00346 123 3S -0.00052 0.00206 0.04593 -0.00042 0.00126 124 3PX -0.04232 -0.00405 -0.00558 -0.02232 0.00480 125 3PY -0.00403 -0.02815 0.00918 0.00545 -0.04545 126 3PZ -0.00437 0.00904 0.15451 -0.00391 0.00915 127 4S -0.00144 0.00299 0.05104 -0.00086 0.00160 128 4PX -0.01384 0.00527 -0.00331 -0.00639 0.00781 129 4PY 0.00460 -0.03536 0.00696 0.00762 -0.03970 130 4PZ -0.00258 0.00659 0.09584 -0.00225 0.00598 131 5XX -0.00040 0.00035 0.00657 -0.00034 0.00026 132 5YY 0.00000 0.00029 0.00076 0.00003 0.00014 133 5ZZ 0.00046 -0.00084 -0.00936 0.00033 -0.00049 134 5XY 0.00015 -0.00008 0.00157 0.00013 -0.00004 135 5XZ 0.00235 -0.00022 0.00047 0.00214 0.00008 136 5YZ -0.00023 0.00355 -0.00073 0.00010 0.00196 137 7 Cl 1S 0.00175 0.00217 0.00097 -0.00009 0.00114 138 2S -0.00719 -0.00987 -0.00393 0.00037 -0.00570 139 2PX -0.01046 -0.01739 -0.01239 -0.01089 -0.01911 140 2PY -0.01966 -0.01287 -0.01376 -0.01190 -0.01161 141 2PZ -0.01438 -0.01386 -0.00678 -0.01792 -0.01179 142 3S 0.01786 0.02087 0.01106 0.00747 0.01667 143 3PX 0.02646 0.04571 0.03174 0.03551 0.05275 144 3PY 0.05079 0.03518 0.03605 0.03185 0.02782 145 3PZ 0.03668 0.03824 0.01875 0.05109 0.03091 146 4S -0.00190 0.03054 -0.00646 -0.00311 0.02232 147 4PX 0.01187 0.03121 0.02008 0.01618 0.03264 148 4PY 0.02248 0.02089 0.01135 0.01439 0.01542 149 4PZ 0.02640 0.01990 0.01109 0.03137 0.01558 150 5XX -0.00010 -0.00221 -0.00075 0.00032 -0.00150 151 5YY 0.00057 0.00051 0.00041 -0.00010 0.00043 152 5ZZ -0.00098 -0.00141 0.00010 -0.00063 -0.00122 153 5XY -0.00105 -0.00152 -0.00083 -0.00035 -0.00060 154 5XZ -0.00130 -0.00246 -0.00127 -0.00065 -0.00201 155 5YZ -0.00197 -0.00189 -0.00123 -0.00052 -0.00146 156 8 Cl 1S 0.00247 -0.00112 0.00115 0.00050 -0.00103 157 2S -0.01058 0.00550 -0.00476 -0.00247 0.00518 158 2PX -0.02428 0.00969 -0.01864 -0.02229 0.01178 159 2PY 0.01173 0.00312 0.00641 0.00435 0.00062 160 2PZ -0.02065 0.00560 -0.00901 -0.02212 0.00209 161 3S 0.02479 -0.01012 0.01283 0.01390 -0.01138 162 3PX 0.06291 -0.02658 0.04826 0.06480 -0.02900 163 3PY -0.03104 -0.00721 -0.01708 -0.00748 -0.00336 164 3PZ 0.05402 -0.01689 0.02484 0.06146 -0.00357 165 4S 0.01183 -0.02926 -0.00366 0.00714 -0.02218 166 4PX 0.03289 -0.02230 0.02597 0.03306 -0.02106 167 4PY -0.01286 -0.00200 -0.00057 -0.00207 -0.00165 168 4PZ 0.03440 -0.00589 0.01324 0.03591 0.00053 169 5XX -0.00165 0.00200 -0.00127 -0.00058 0.00134 170 5YY 0.00168 -0.00034 0.00095 0.00043 -0.00042 171 5ZZ -0.00185 0.00094 -0.00018 -0.00124 0.00097 172 5XY -0.00011 0.00055 -0.00024 -0.00004 0.00078 173 5XZ -0.00308 0.00169 -0.00195 -0.00174 0.00170 174 5YZ 0.00099 0.00015 0.00049 0.00018 -0.00016 56 57 58 59 60 56 10PZ 0.35599 57 11XX 0.04333 2.71781 58 11YY 0.04319 -0.25431 2.72026 59 11ZZ 0.04880 -0.25471 -0.25401 2.71844 60 11XY 0.00011 -0.00039 -0.00032 -0.00021 1.98229 61 11XZ 0.00010 -0.00001 -0.00003 -0.00002 -0.00003 62 11YZ -0.00001 -0.00002 -0.00004 -0.00007 -0.00001 63 12XX 0.02017 0.29367 0.23345 0.22585 -0.00121 64 12YY 0.02440 0.22466 0.29535 0.22249 -0.00144 65 12ZZ -0.02269 0.22587 0.23249 0.29088 -0.00171 66 12XY -0.00122 0.00124 0.00101 0.00107 0.04340 67 12XZ 0.00046 0.00006 0.00017 0.00017 0.00011 68 12YZ -0.00106 0.00003 0.00006 0.00022 0.00002 69 4 Br 1S -0.00135 -0.00082 -0.00065 -0.00078 0.00006 70 2S 0.00689 0.00551 0.00470 0.00537 -0.00022 71 3S -0.00537 -0.00395 -0.00352 -0.00398 0.00002 72 4S -0.00878 -0.00416 -0.00283 -0.00396 0.00028 73 5S 0.00707 0.00354 0.00729 0.00689 0.00286 74 6S -0.01009 -0.01777 -0.03088 -0.02729 -0.00802 75 7PX -0.00471 0.00177 0.00121 0.00114 -0.00048 76 7PY 0.00080 -0.00005 0.00058 0.00050 -0.00010 77 7PZ 0.00390 -0.00220 -0.00148 -0.00130 0.00022 78 8PX 0.02113 -0.00444 -0.00281 -0.00241 0.00142 79 8PY 0.00015 0.00245 0.00069 0.00094 0.00023 80 8PZ -0.01133 0.00437 0.00215 0.00172 -0.00078 81 9PX -0.04131 0.00733 0.00440 0.00367 -0.00267 82 9PY -0.00104 -0.00492 -0.00164 -0.00205 -0.00044 83 9PZ 0.02075 -0.00716 -0.00309 -0.00224 0.00135 84 10PX -0.03159 0.01104 0.01018 0.00879 -0.00067 85 10PY -0.00646 -0.00218 -0.00159 -0.00232 -0.00072 86 10PZ 0.01662 -0.01029 -0.00749 -0.00720 0.00168 87 11XX 0.00211 0.00364 0.00339 0.00363 -0.00003 88 11YY 0.00378 0.00354 0.00325 0.00350 -0.00005 89 11ZZ 0.00325 0.00324 0.00310 0.00329 -0.00001 90 11XY 0.00018 -0.00033 -0.00021 -0.00028 0.00002 91 11XZ -0.00081 -0.00002 0.00001 -0.00003 0.00001 92 11YZ -0.00013 0.00007 0.00008 0.00007 -0.00001 93 12XX 0.00202 0.00255 0.00465 0.00405 0.00118 94 12YY 0.00061 0.00409 0.00633 0.00545 0.00127 95 12ZZ 0.00310 0.00466 0.00660 0.00611 0.00126 96 12XY 0.00094 0.00047 0.00034 0.00059 0.00008 97 12XZ 0.00053 -0.00031 -0.00028 -0.00026 -0.00005 98 12YZ 0.00015 -0.00110 -0.00124 -0.00116 0.00004 99 5 Cl 1S 0.00030 -0.00009 -0.00017 -0.00008 -0.00002 100 2S -0.00124 0.00069 0.00095 0.00059 -0.00014 101 2PX 0.01726 -0.00163 -0.00254 -0.00167 -0.00079 102 2PY 0.00710 -0.00214 -0.00145 -0.00125 -0.00078 103 2PZ -0.01094 0.00306 0.00270 0.00173 0.00118 104 3S 0.00624 0.00162 0.00070 0.00182 -0.00040 105 3PX -0.04825 0.00361 0.00600 0.00370 0.00205 106 3PY -0.01747 0.00621 0.00456 0.00398 0.00199 107 3PZ 0.02745 -0.00705 -0.00611 -0.00360 -0.00306 108 4S -0.00158 -0.00948 -0.00877 -0.00951 0.00433 109 4PX -0.02736 0.00664 0.00693 0.00520 0.00063 110 4PY -0.00526 0.00308 0.00286 0.00284 0.00019 111 4PZ 0.01374 -0.00706 -0.00778 -0.00659 -0.00175 112 5XX -0.00038 0.00027 0.00019 0.00022 -0.00021 113 5YY -0.00012 0.00000 0.00017 0.00005 -0.00036 114 5ZZ 0.00000 0.00072 0.00063 0.00070 -0.00019 115 5XY 0.00004 -0.00058 -0.00056 -0.00062 -0.00005 116 5XZ 0.00094 -0.00019 -0.00022 -0.00018 0.00001 117 5YZ 0.00062 0.00046 0.00042 0.00041 0.00004 118 6 Cl 1S 0.00212 -0.00031 -0.00038 -0.00013 0.00002 119 2S -0.01048 0.00254 0.00262 0.00152 -0.00001 120 2PX 0.00189 -0.00010 -0.00015 -0.00025 -0.00003 121 2PY -0.00360 0.00019 0.00015 0.00046 0.00000 122 2PZ -0.05463 0.00317 0.00429 0.00716 -0.00030 123 3S 0.02967 0.00330 0.00207 0.00456 0.00034 124 3PX -0.00492 0.00036 0.00047 0.00074 0.00007 125 3PY 0.00958 -0.00034 -0.00025 -0.00104 0.00000 126 3PZ 0.14107 -0.00549 -0.00858 -0.01574 0.00083 127 4S 0.02965 -0.02826 -0.02484 -0.01997 -0.00111 128 4PX -0.00274 -0.00011 -0.00043 -0.00032 -0.00019 129 4PY 0.00637 -0.00091 -0.00085 -0.00092 0.00010 130 4PZ 0.07959 -0.01595 -0.01666 -0.01964 0.00013 131 5XX 0.00447 0.00182 0.00148 0.00173 0.00007 132 5YY 0.00031 0.00200 0.00166 0.00203 0.00014 133 5ZZ -0.00517 0.00167 0.00152 0.00091 0.00005 134 5XY 0.00111 -0.00005 0.00002 -0.00005 0.00007 135 5XZ 0.00029 -0.00003 -0.00002 0.00002 0.00001 136 5YZ -0.00038 -0.00002 0.00001 -0.00006 0.00000 137 7 Cl 1S 0.00016 -0.00010 -0.00015 -0.00007 -0.00001 138 2S -0.00054 0.00069 0.00083 0.00058 -0.00017 139 2PX -0.01546 0.00144 0.00250 0.00146 0.00079 140 2PY -0.00685 0.00243 0.00173 0.00137 0.00086 141 2PZ -0.01086 0.00288 0.00263 0.00159 0.00112 142 3S 0.00471 0.00145 0.00073 0.00179 -0.00034 143 3PX 0.04387 -0.00318 -0.00597 -0.00322 -0.00205 144 3PY 0.01717 -0.00690 -0.00516 -0.00417 -0.00219 145 3PZ 0.02794 -0.00638 -0.00572 -0.00303 -0.00290 146 4S -0.00480 -0.00881 -0.00746 -0.00940 0.00430 147 4PX 0.02445 -0.00620 -0.00642 -0.00468 -0.00053 148 4PY 0.00459 -0.00355 -0.00314 -0.00325 -0.00025 149 4PZ 0.01480 -0.00745 -0.00812 -0.00674 -0.00166 150 5XX -0.00004 0.00019 0.00007 0.00017 -0.00022 151 5YY -0.00032 -0.00003 0.00008 0.00004 -0.00038 152 5ZZ 0.00014 0.00080 0.00068 0.00079 -0.00018 153 5XY 0.00008 -0.00056 -0.00053 -0.00059 -0.00006 154 5XZ -0.00078 0.00017 0.00018 0.00016 -0.00001 155 5YZ -0.00040 -0.00043 -0.00044 -0.00041 -0.00003 156 8 Cl 1S 0.00024 -0.00013 -0.00014 -0.00007 0.00004 157 2S -0.00099 0.00067 0.00100 0.00059 -0.00001 158 2PX -0.01837 0.00305 0.00202 0.00203 -0.00084 159 2PY -0.00147 -0.00129 -0.00021 -0.00043 -0.00029 160 2PZ -0.01192 0.00381 0.00197 0.00175 -0.00056 161 3S 0.00617 0.00114 0.00120 0.00191 0.00061 162 3PX 0.05082 -0.00766 -0.00507 -0.00502 0.00220 163 3PY 0.00623 0.00422 0.00151 0.00204 0.00072 164 3PZ 0.03040 -0.00884 -0.00410 -0.00353 0.00145 165 4S -0.00263 -0.00636 -0.01176 -0.00955 -0.00289 166 4PX 0.02666 -0.00743 -0.00669 -0.00562 0.00040 167 4PY 0.00792 -0.00039 -0.00040 0.00022 0.00033 168 4PZ 0.01543 -0.00886 -0.00698 -0.00705 0.00130 169 5XX -0.00015 -0.00036 0.00001 -0.00023 0.00018 170 5YY -0.00025 0.00034 0.00080 0.00057 0.00013 171 5ZZ -0.00002 0.00061 0.00082 0.00074 0.00016 172 5XY -0.00009 0.00048 0.00028 0.00044 0.00001 173 5XZ -0.00111 -0.00012 -0.00006 -0.00010 0.00000 174 5YZ 0.00011 0.00054 0.00048 0.00048 -0.00001 61 62 63 64 65 61 11XZ 1.98166 62 11YZ -0.00017 1.98237 63 12XX 0.00008 -0.00052 0.09033 64 12YY 0.00021 -0.00056 0.08652 0.08703 65 12ZZ 0.00017 -0.00041 0.08711 0.08483 0.09367 66 12XY 0.00009 0.00004 0.00046 0.00048 0.00069 67 12XZ 0.04554 0.00060 -0.00008 0.00018 0.00010 68 12YZ 0.00061 0.04300 0.00001 0.00017 0.00022 69 4 Br 1S 0.00009 -0.00006 -0.00189 -0.00324 -0.00251 70 2S -0.00058 0.00029 0.00938 0.01604 0.01245 71 3S 0.00066 -0.00013 -0.00625 -0.01110 -0.00856 72 4S 0.00112 -0.00051 -0.00856 -0.01622 -0.01218 73 5S 0.00018 -0.00205 0.00167 0.00248 0.00132 74 6S -0.00382 0.00680 -0.01073 -0.00744 -0.00670 75 7PX -0.00050 0.00027 0.00078 0.00236 0.00260 76 7PY 0.00007 0.00000 0.00098 -0.00104 -0.00033 77 7PZ 0.00007 -0.00007 0.00078 -0.00094 -0.00184 78 8PX 0.00135 -0.00078 0.00376 -0.00011 -0.00244 79 8PY -0.00021 -0.00002 0.00164 0.00631 0.00428 80 8PZ -0.00024 0.00025 -0.00703 -0.00196 0.00000 81 9PX -0.00242 0.00148 -0.00926 -0.00267 0.00230 82 9PY 0.00027 0.00001 -0.00465 -0.01242 -0.00891 83 9PZ 0.00037 -0.00043 0.01453 0.00545 0.00217 84 10PX -0.00035 -0.00001 -0.00477 -0.00040 0.00372 85 10PY 0.00003 0.00066 -0.00422 -0.00916 -0.00577 86 10PZ 0.00014 -0.00053 0.01004 0.00239 -0.00030 87 11XX -0.00036 0.00007 0.00319 0.00599 0.00466 88 11YY -0.00036 0.00006 0.00484 0.00788 0.00612 89 11ZZ -0.00027 0.00007 0.00466 0.00732 0.00588 90 11XY 0.00012 0.00000 -0.00018 -0.00030 -0.00020 91 11XZ 0.00005 -0.00001 -0.00026 -0.00026 -0.00015 92 11YZ -0.00002 -0.00001 -0.00085 -0.00098 -0.00095 93 12XX 0.00028 -0.00099 0.00288 0.00322 0.00280 94 12YY 0.00054 -0.00108 0.00252 0.00268 0.00266 95 12ZZ 0.00021 -0.00115 0.00297 0.00381 0.00297 96 12XY -0.00025 -0.00012 -0.00010 0.00057 0.00006 97 12XZ -0.00005 0.00002 -0.00075 -0.00035 -0.00033 98 12YZ -0.00006 0.00004 0.00032 -0.00008 -0.00021 99 5 Cl 1S -0.00008 -0.00004 -0.00037 -0.00032 -0.00036 100 2S 0.00039 0.00033 0.00148 0.00124 0.00143 101 2PX 0.00064 0.00094 0.00143 0.00380 0.00009 102 2PY 0.00047 0.00045 -0.00038 -0.00303 -0.00254 103 2PZ -0.00020 -0.00037 -0.00219 -0.00288 0.00078 104 3S -0.00095 -0.00030 0.00032 0.00100 -0.00005 105 3PX -0.00158 -0.00240 -0.00723 -0.01278 -0.00248 106 3PY -0.00108 -0.00110 0.00409 0.00951 0.00917 107 3PZ 0.00045 0.00092 0.00752 0.01021 0.00092 108 4S -0.00144 -0.00348 -0.00279 -0.00167 -0.00195 109 4PX 0.00010 -0.00038 -0.00224 -0.00529 0.00068 110 4PY -0.00003 0.00024 0.00212 0.00416 0.00380 111 4PZ 0.00002 0.00055 0.00182 0.00376 -0.00124 112 5XX 0.00002 0.00017 0.00017 0.00036 0.00034 113 5YY 0.00030 0.00028 -0.00019 -0.00068 -0.00033 114 5ZZ 0.00001 0.00015 0.00027 0.00037 0.00026 115 5XY 0.00013 0.00008 0.00006 0.00014 0.00017 116 5XZ -0.00005 -0.00004 -0.00019 -0.00018 -0.00024 117 5YZ -0.00010 -0.00004 -0.00026 -0.00020 -0.00011 118 6 Cl 1S -0.00001 0.00001 -0.00096 -0.00108 -0.00226 119 2S 0.00004 -0.00007 0.00392 0.00448 0.00945 120 2PX -0.00091 0.00000 -0.00010 0.00001 0.00010 121 2PY -0.00001 -0.00095 0.00034 0.00043 0.00012 122 2PZ -0.00012 0.00021 0.00615 0.00301 0.00194 123 3S -0.00005 0.00014 0.00215 0.00079 -0.01051 124 3PX 0.00219 -0.00005 0.00059 0.00056 0.00024 125 3PY -0.00003 0.00249 -0.00078 -0.00097 -0.00011 126 3PZ 0.00031 -0.00052 -0.01372 -0.00542 0.00077 127 4S -0.00029 0.00036 -0.00798 -0.00978 -0.01764 128 4PX -0.00091 0.00007 0.00002 -0.00001 -0.00001 129 4PY -0.00003 -0.00067 -0.00051 -0.00057 -0.00056 130 4PZ 0.00006 -0.00012 -0.01142 -0.00750 -0.00742 131 5XX -0.00001 0.00001 0.00032 0.00031 -0.00025 132 5YY 0.00001 0.00003 0.00090 0.00093 0.00042 133 5ZZ 0.00003 -0.00005 0.00006 0.00028 0.00215 134 5XY 0.00001 0.00000 -0.00014 -0.00014 -0.00016 135 5XZ 0.00039 0.00007 0.00005 -0.00001 -0.00011 136 5YZ 0.00007 0.00009 -0.00005 -0.00009 0.00012 137 7 Cl 1S 0.00008 0.00005 -0.00035 -0.00035 -0.00031 138 2S -0.00036 -0.00037 0.00141 0.00138 0.00117 139 2PX 0.00055 0.00084 -0.00150 -0.00396 -0.00028 140 2PY 0.00048 0.00044 0.00047 0.00311 0.00269 141 2PZ 0.00015 0.00030 -0.00274 -0.00354 0.00024 142 3S 0.00095 0.00042 0.00040 0.00036 0.00032 143 3PX -0.00133 -0.00215 0.00744 0.01316 0.00284 144 3PY -0.00109 -0.00108 -0.00390 -0.00937 -0.00924 145 3PZ -0.00032 -0.00076 0.00978 0.01261 0.00295 146 4S 0.00113 0.00332 -0.00263 -0.00209 -0.00109 147 4PX 0.00013 -0.00016 0.00245 0.00546 -0.00034 148 4PY -0.00004 0.00024 -0.00205 -0.00425 -0.00377 149 4PZ 0.00013 -0.00048 0.00290 0.00471 -0.00061 150 5XX -0.00001 -0.00017 0.00017 0.00038 0.00027 151 5YY -0.00029 -0.00030 -0.00019 -0.00063 -0.00030 152 5ZZ 0.00001 -0.00014 0.00025 0.00034 0.00022 153 5XY -0.00014 -0.00010 0.00005 0.00017 0.00015 154 5XZ -0.00004 -0.00003 0.00018 0.00021 0.00022 155 5YZ -0.00007 -0.00002 0.00032 0.00036 0.00018 156 8 Cl 1S 0.00009 0.00000 -0.00039 -0.00040 -0.00040 157 2S -0.00049 0.00013 0.00160 0.00145 0.00156 158 2PX 0.00116 -0.00060 -0.00241 -0.00032 0.00088 159 2PY -0.00017 -0.00010 -0.00158 -0.00442 -0.00259 160 2PZ 0.00042 -0.00026 -0.00471 -0.00089 0.00050 161 3S 0.00096 0.00013 -0.00041 0.00147 -0.00020 162 3PX -0.00285 0.00157 0.00845 0.00261 -0.00144 163 3PY 0.00033 0.00026 0.00794 0.01463 0.00996 164 3PZ -0.00102 0.00069 0.01495 0.00502 0.00203 165 4S 0.00284 -0.00245 -0.00375 -0.00093 -0.00191 166 4PX -0.00003 0.00019 0.00280 0.00089 -0.00205 167 4PY -0.00010 0.00044 0.00372 0.00575 0.00331 168 4PZ -0.00027 0.00049 0.00582 0.00066 -0.00091 169 5XX -0.00027 0.00015 0.00028 0.00010 0.00032 170 5YY -0.00024 0.00011 -0.00019 -0.00052 -0.00029 171 5ZZ -0.00009 0.00013 0.00031 0.00041 0.00028 172 5XY 0.00024 0.00000 0.00007 0.00052 0.00019 173 5XZ -0.00011 0.00000 0.00042 0.00012 0.00029 174 5YZ 0.00007 0.00001 -0.00028 0.00002 -0.00002 66 67 68 69 70 66 12XY 0.00141 67 12XZ 0.00020 0.00557 68 12YZ -0.00002 0.00048 0.00349 69 4 Br 1S -0.00069 -0.00058 0.00054 2.39616 70 2S 0.00337 0.00303 -0.00278 -1.27293 4.75234 71 3S -0.00244 -0.00250 0.00226 0.48897 -2.59585 72 4S -0.00376 -0.00426 0.00379 0.74721 -3.79615 73 5S 0.00039 0.00192 -0.00034 0.14016 -0.52236 74 6S 0.00065 0.00251 -0.00484 0.23026 -1.00466 75 7PX 0.00132 0.00157 -0.00047 -0.00004 0.00599 76 7PY 0.00048 -0.00045 -0.00022 0.00019 -0.00603 77 7PZ -0.00080 0.00012 0.00010 0.00000 0.00016 78 8PX -0.00323 -0.00261 0.00100 0.00123 -0.01033 79 8PY -0.00105 0.00109 0.00068 -0.00150 0.01184 80 8PZ 0.00318 -0.00048 -0.00060 0.00004 -0.00030 81 9PX 0.00557 0.00364 -0.00167 0.00053 0.00410 82 9PY 0.00170 -0.00171 -0.00119 0.00047 -0.00943 83 9PZ -0.00600 0.00097 0.00112 -0.00001 0.00022 84 10PX 0.00432 0.00222 -0.00054 -0.01704 0.08823 85 10PY 0.00171 -0.00062 -0.00141 0.01485 -0.07856 86 10PZ -0.00527 0.00112 0.00123 -0.00042 0.00223 87 11XX 0.00137 0.00127 -0.00119 -0.39293 1.82393 88 11YY 0.00153 0.00154 -0.00118 -0.39280 1.82337 89 11ZZ 0.00139 0.00125 -0.00131 -0.39301 1.82467 90 11XY 0.00000 -0.00012 -0.00008 -0.00015 0.00116 91 11XZ -0.00007 -0.00004 0.00008 0.00001 -0.00008 92 11YZ 0.00008 -0.00005 -0.00001 -0.00001 0.00007 93 12XX 0.00007 -0.00026 0.00038 -0.12473 0.59240 94 12YY 0.00065 0.00016 -0.00006 -0.12553 0.59632 95 12ZZ 0.00045 0.00047 0.00016 -0.12487 0.59194 96 12XY 0.00009 0.00082 0.00012 0.00020 -0.00253 97 12XZ 0.00026 0.00028 -0.00024 -0.00004 0.00028 98 12YZ -0.00024 -0.00010 0.00003 0.00004 -0.00023 99 5 Cl 1S 0.00001 0.00003 0.00021 0.00002 0.00001 100 2S 0.00009 -0.00013 -0.00101 0.00009 -0.00070 101 2PX 0.00154 -0.00098 -0.00151 -0.00024 0.00188 102 2PY 0.00143 -0.00183 -0.00021 0.00070 -0.00465 103 2PZ -0.00308 -0.00035 0.00037 -0.00004 0.00024 104 3S -0.00124 0.00154 0.00285 0.00005 -0.00017 105 3PX -0.00420 0.00167 0.00364 0.00013 -0.00180 106 3PY -0.00409 0.00389 0.00072 -0.00155 0.01038 107 3PZ 0.00849 0.00097 -0.00122 0.00012 -0.00074 108 4S -0.00172 0.00076 0.00355 -0.00300 0.01578 109 4PX -0.00203 0.00056 0.00134 0.00464 -0.02356 110 4PY -0.00110 0.00097 -0.00062 -0.00332 0.01668 111 4PZ 0.00467 0.00106 -0.00066 -0.00009 0.00041 112 5XX 0.00000 0.00011 -0.00019 0.00001 0.00007 113 5YY 0.00026 -0.00053 -0.00014 0.00083 -0.00409 114 5ZZ -0.00004 0.00012 -0.00005 0.00031 -0.00138 115 5XY 0.00018 -0.00041 -0.00032 -0.00020 0.00095 116 5XZ -0.00010 0.00014 0.00018 0.00003 -0.00012 117 5YZ -0.00027 0.00025 0.00019 -0.00002 0.00012 118 6 Cl 1S 0.00003 0.00004 -0.00007 -0.00001 -0.00006 119 2S -0.00016 -0.00019 0.00028 -0.00030 0.00170 120 2PX 0.00010 0.00297 0.00032 -0.00050 0.00364 121 2PY 0.00007 0.00034 0.00168 0.00026 -0.00185 122 2PZ 0.00083 0.00010 -0.00014 -0.00036 0.00196 123 3S 0.00045 0.00045 -0.00065 -0.00084 0.00379 124 3PX -0.00007 -0.00531 -0.00055 0.00095 -0.00721 125 3PY -0.00023 -0.00058 -0.00338 -0.00049 0.00369 126 3PZ -0.00224 -0.00038 0.00052 0.00109 -0.00622 127 4S 0.00048 0.00031 -0.00048 0.00619 -0.02941 128 4PX -0.00002 -0.00230 -0.00054 0.00528 -0.02616 129 4PY -0.00017 -0.00052 -0.00031 -0.00238 0.01260 130 4PZ -0.00102 -0.00008 0.00001 0.00054 -0.00285 131 5XX 0.00000 0.00006 -0.00002 -0.00003 0.00009 132 5YY 0.00000 0.00000 -0.00007 -0.00046 0.00226 133 5ZZ -0.00006 -0.00009 0.00015 -0.00015 0.00066 134 5XY 0.00002 -0.00004 0.00000 -0.00019 0.00089 135 5XZ -0.00005 -0.00101 -0.00013 0.00037 -0.00196 136 5YZ 0.00000 -0.00013 -0.00045 -0.00015 0.00077 137 7 Cl 1S 0.00003 -0.00002 -0.00020 0.00002 -0.00004 138 2S 0.00001 0.00005 0.00099 0.00025 -0.00140 139 2PX -0.00159 -0.00099 -0.00112 0.00002 -0.00001 140 2PY -0.00178 -0.00188 -0.00031 -0.00004 0.00020 141 2PZ -0.00290 0.00055 -0.00012 0.00000 -0.00001 142 3S -0.00122 -0.00135 -0.00289 0.00069 -0.00333 143 3PX 0.00424 0.00161 0.00250 -0.00011 0.00054 144 3PY 0.00487 0.00397 0.00084 0.00015 -0.00074 145 3PZ 0.00792 -0.00158 0.00055 0.00000 0.00002 146 4S -0.00149 -0.00073 -0.00341 -0.00606 0.02903 147 4PX 0.00197 0.00058 0.00065 -0.00035 0.00162 148 4PY 0.00153 0.00098 -0.00052 -0.00082 0.00395 149 4PZ 0.00436 -0.00132 0.00034 0.00000 0.00000 150 5XX -0.00001 -0.00011 0.00019 0.00052 -0.00243 151 5YY 0.00032 0.00054 0.00020 0.00052 -0.00243 152 5ZZ -0.00010 -0.00014 0.00002 0.00040 -0.00189 153 5XY 0.00023 0.00041 0.00033 -0.00004 0.00018 154 5XZ 0.00010 0.00010 0.00016 0.00000 -0.00001 155 5YZ 0.00024 0.00017 0.00018 0.00000 0.00001 156 8 Cl 1S -0.00002 -0.00011 0.00018 -0.00002 -0.00001 157 2S 0.00004 0.00051 -0.00086 -0.00024 0.00138 158 2PX 0.00158 -0.00230 0.00054 -0.00013 0.00086 159 2PY 0.00128 0.00102 0.00102 0.00005 -0.00026 160 2PZ 0.00213 -0.00008 0.00050 -0.00001 0.00004 161 3S 0.00052 -0.00254 0.00189 -0.00057 0.00266 162 3PX -0.00434 0.00472 -0.00173 0.00031 -0.00213 163 3PY -0.00256 -0.00244 -0.00228 -0.00010 0.00056 164 3PZ -0.00621 0.00016 -0.00156 0.00001 -0.00004 165 4S 0.00044 -0.00225 0.00274 0.00485 -0.02339 166 4PX -0.00211 0.00138 -0.00037 0.00085 -0.00461 167 4PY -0.00152 -0.00021 -0.00139 -0.00042 0.00195 168 4PZ -0.00354 -0.00045 -0.00106 0.00018 -0.00090 169 5XX -0.00015 0.00043 -0.00023 -0.00041 0.00193 170 5YY 0.00014 0.00008 0.00012 -0.00044 0.00203 171 5ZZ -0.00002 -0.00008 -0.00010 -0.00041 0.00195 172 5XY 0.00001 -0.00057 -0.00009 -0.00007 0.00033 173 5XZ -0.00012 0.00034 -0.00012 0.00001 -0.00003 174 5YZ 0.00010 -0.00020 0.00002 -0.00001 0.00006 71 72 73 74 75 71 3S 2.01369 72 4S 2.98727 4.46556 73 5S 0.07438 -0.07080 1.01407 74 6S 0.49604 0.61763 0.64545 0.62196 75 7PX -0.01371 -0.01359 0.01593 -0.03136 2.30303 76 7PY 0.01270 0.01347 -0.01253 0.01683 0.00199 77 7PZ -0.00034 -0.00037 0.00000 0.00035 -0.00004 78 8PX 0.01589 0.02506 -0.01859 -0.05440 -0.85965 79 8PY -0.01734 -0.02741 0.02245 0.04930 -0.00602 80 8PZ 0.00043 0.00074 0.00016 -0.00311 0.00013 81 9PX -0.01487 -0.03529 0.02040 0.15323 0.05582 82 9PY 0.01959 0.04165 -0.03310 -0.12585 0.01192 83 9PZ -0.00045 -0.00112 -0.00042 0.00639 -0.00025 84 10PX -0.07169 -0.11803 0.02956 0.09126 0.11924 85 10PY 0.06685 0.11055 -0.04380 -0.06779 0.01640 86 10PZ -0.00189 -0.00323 0.00042 0.00393 -0.00061 87 11XX -1.13387 -1.66710 -0.15570 -0.36674 0.01223 88 11YY -1.13367 -1.66613 -0.15363 -0.37390 0.00963 89 11ZZ -1.13492 -1.66901 -0.14766 -0.38322 0.00910 90 11XY -0.00143 -0.00289 0.00951 -0.01809 -0.00219 91 11XZ 0.00008 0.00016 -0.00022 0.00015 0.00006 92 11YZ -0.00007 -0.00014 0.00019 -0.00019 -0.00002 93 12XX -0.38983 -0.57657 -0.02443 -0.12598 0.00580 94 12YY -0.39266 -0.58096 -0.02424 -0.12472 0.01673 95 12ZZ -0.38743 -0.57195 -0.03355 -0.12212 0.01464 96 12XY 0.00462 0.00848 -0.01193 0.00230 0.00421 97 12XZ -0.00030 -0.00053 0.00049 0.00006 -0.00007 98 12YZ 0.00024 0.00041 -0.00042 0.00019 -0.00008 99 5 Cl 1S -0.00016 0.00002 0.00007 -0.00008 0.00001 100 2S 0.00100 0.00065 -0.00002 -0.00150 0.00006 101 2PX -0.00244 -0.00578 -0.00592 0.04292 0.00071 102 2PY 0.00542 0.01045 -0.01273 0.00027 0.00191 103 2PZ -0.00024 -0.00045 0.00112 -0.00209 -0.00006 104 3S -0.00001 0.00023 -0.00165 0.01204 0.00027 105 3PX 0.00277 0.01227 0.02348 -0.13885 -0.00203 106 3PY -0.01216 -0.02474 0.02431 0.02095 -0.00496 107 3PZ 0.00077 0.00120 -0.00287 0.00586 0.00016 108 4S -0.01329 -0.02125 0.01298 -0.00507 -0.00557 109 4PX 0.01808 0.03206 0.00548 -0.06573 0.00157 110 4PY -0.01262 -0.02114 0.00518 0.01055 0.00104 111 4PZ -0.00028 -0.00051 -0.00074 0.00286 -0.00025 112 5XX -0.00027 -0.00068 0.00014 0.00308 0.00023 113 5YY 0.00294 0.00485 -0.00123 -0.00225 0.00007 114 5ZZ 0.00069 0.00088 0.00071 0.00063 -0.00004 115 5XY -0.00059 -0.00103 -0.00149 0.00497 0.00000 116 5XZ 0.00007 0.00012 0.00015 -0.00044 -0.00001 117 5YZ -0.00013 -0.00024 0.00028 -0.00003 -0.00005 118 6 Cl 1S 0.00020 0.00021 -0.00107 0.00292 0.00057 119 2S -0.00164 -0.00221 0.00436 -0.01112 -0.00209 120 2PX -0.00471 -0.00824 0.01257 -0.00710 -0.00461 121 2PY 0.00238 0.00440 0.00096 -0.01947 0.00183 122 2PZ -0.00169 -0.00393 0.00508 -0.00332 -0.00293 123 3S -0.00220 -0.00313 -0.00393 0.00979 0.00670 124 3PX 0.00964 0.01925 -0.02079 -0.01665 0.01257 125 3PY -0.00481 -0.01039 -0.00568 0.06218 -0.00488 126 3PZ 0.00598 0.01050 -0.01606 0.02125 0.00783 127 4S 0.01933 0.02868 0.00241 0.00433 -0.00146 128 4PX 0.01927 0.03045 -0.00718 -0.00122 0.00325 129 4PY -0.01071 -0.01807 0.00223 0.02611 -0.00399 130 4PZ 0.00234 0.00396 -0.00497 0.00829 0.00395 131 5XX 0.00001 0.00011 0.00013 -0.00187 -0.00052 132 5YY -0.00159 -0.00253 0.00029 0.00087 0.00069 133 5ZZ -0.00030 -0.00033 -0.00112 0.00119 0.00081 134 5XY -0.00052 -0.00074 -0.00055 0.00070 0.00091 135 5XZ 0.00165 0.00285 -0.00135 -0.00201 -0.00097 136 5YZ -0.00059 -0.00104 -0.00062 0.00357 0.00053 137 7 Cl 1S -0.00011 0.00008 0.00100 -0.00320 0.00001 138 2S 0.00138 0.00121 -0.00358 0.01153 -0.00028 139 2PX -0.00015 -0.00024 -0.00153 0.00512 -0.00014 140 2PY -0.00013 -0.00050 -0.00138 0.00567 -0.00012 141 2PZ 0.00003 0.00002 -0.00053 0.00128 0.00006 142 3S 0.00234 0.00370 0.00153 -0.00432 -0.00022 143 3PX -0.00041 0.00021 0.00403 -0.01415 0.00032 144 3PY 0.00051 0.00147 0.00308 -0.01306 0.00026 145 3PZ -0.00006 -0.00004 0.00141 -0.00332 -0.00017 146 4S -0.01966 -0.02974 -0.00182 0.00431 0.00446 147 4PX -0.00101 -0.00110 0.00102 -0.00554 0.00122 148 4PY -0.00269 -0.00392 0.00027 -0.00172 0.00113 149 4PZ 0.00002 0.00007 0.00057 -0.00174 0.00005 150 5XX 0.00149 0.00221 0.00031 0.00017 -0.00028 151 5YY 0.00147 0.00221 0.00068 -0.00080 -0.00033 152 5ZZ 0.00117 0.00172 0.00014 0.00043 -0.00023 153 5XY -0.00011 -0.00012 0.00023 -0.00098 0.00014 154 5XZ 0.00001 0.00001 0.00002 -0.00008 0.00001 155 5YZ -0.00001 -0.00001 0.00006 -0.00015 0.00001 156 8 Cl 1S 0.00017 0.00004 -0.00077 0.00231 0.00009 157 2S -0.00142 -0.00147 0.00268 -0.00755 -0.00036 158 2PX -0.00103 -0.00175 0.00233 0.00026 -0.00049 159 2PY 0.00022 0.00076 0.00128 -0.00606 0.00036 160 2PZ -0.00004 -0.00015 -0.00037 0.00168 -0.00001 161 3S -0.00173 -0.00249 -0.00141 0.00129 0.00103 162 3PX 0.00272 0.00426 -0.00793 0.00561 0.00124 163 3PY -0.00046 -0.00186 -0.00425 0.01847 -0.00100 164 3PZ 0.00003 0.00033 0.00098 -0.00453 0.00002 165 4S 0.01604 0.02427 -0.00086 0.00133 0.00076 166 4PX 0.00410 0.00649 -0.00531 0.00212 0.00204 167 4PY -0.00119 -0.00227 -0.00266 0.00829 -0.00044 168 4PZ 0.00062 0.00106 0.00043 -0.00204 0.00006 169 5XX -0.00119 -0.00181 -0.00044 0.00074 -0.00001 170 5YY -0.00124 -0.00178 0.00000 -0.00118 0.00004 171 5ZZ -0.00123 -0.00185 -0.00007 -0.00011 0.00001 172 5XY -0.00023 -0.00035 -0.00002 0.00024 -0.00001 173 5XZ 0.00002 0.00002 0.00002 -0.00002 0.00002 174 5YZ -0.00003 -0.00006 -0.00006 0.00016 0.00000 76 77 78 79 80 76 7PY 2.30285 77 7PZ 0.00005 2.30487 78 8PX -0.00602 0.00013 2.45292 79 8PY -0.85897 -0.00013 0.01808 2.45031 80 8PZ -0.00013 -0.86498 -0.00042 0.00035 2.46797 81 9PX 0.01195 -0.00024 -0.30714 -0.03469 0.00081 82 9PY 0.05528 0.00026 -0.03420 -0.30220 -0.00056 83 9PZ 0.00028 0.06708 0.00082 -0.00059 -0.33454 84 10PX 0.01652 -0.00071 -0.28770 -0.05284 0.00168 85 10PY 0.11234 0.00054 -0.05653 -0.27935 -0.00210 86 10PZ 0.00045 0.13013 0.00171 -0.00193 -0.34097 87 11XX -0.00839 0.00023 -0.01215 0.00539 -0.00014 88 11YY -0.01115 0.00023 -0.00507 0.01325 -0.00012 89 11ZZ -0.00795 0.00029 -0.00313 0.00381 -0.00029 90 11XY 0.00214 -0.00003 0.00643 -0.00651 0.00009 91 11XZ -0.00003 0.00145 -0.00019 0.00009 -0.00421 92 11YZ 0.00006 -0.00161 0.00009 -0.00017 0.00466 93 12XX -0.01350 0.00025 0.01757 0.01036 0.00014 94 12YY -0.00356 0.00025 -0.00922 -0.01588 -0.00008 95 12ZZ -0.01140 -0.00013 -0.00574 0.00625 0.00099 96 12XY -0.00351 -0.00009 -0.01144 0.01133 0.00016 97 12XZ -0.00005 -0.00562 0.00027 0.00009 0.01543 98 12YZ -0.00005 0.00615 0.00007 0.00011 -0.01681 99 5 Cl 1S -0.00060 0.00004 -0.00004 0.00180 -0.00012 100 2S 0.00228 -0.00015 -0.00037 -0.00778 0.00054 101 2PX 0.00234 -0.00007 -0.00171 -0.00701 0.00021 102 2PY -0.00689 0.00050 -0.00582 0.02150 -0.00152 103 2PZ 0.00055 0.00241 0.00019 -0.00170 -0.00691 104 3S -0.00677 0.00045 -0.00162 0.01909 -0.00119 105 3PX -0.00640 0.00021 0.00378 0.01829 -0.00056 106 3PY 0.01806 -0.00133 0.01486 -0.05656 0.00397 107 3PZ -0.00144 -0.00637 -0.00050 0.00440 0.01676 108 4S 0.00046 0.00011 0.02200 0.01527 -0.00214 109 4PX -0.00416 0.00002 0.00287 0.01926 -0.00046 110 4PY 0.00813 -0.00073 -0.00036 -0.03020 0.00319 111 4PZ -0.00072 -0.00402 0.00076 0.00275 0.02120 112 5XX -0.00081 0.00007 -0.00081 0.00037 -0.00002 113 5YY 0.00065 -0.00009 -0.00072 -0.00250 0.00032 114 5ZZ -0.00056 0.00012 -0.00042 0.00045 -0.00014 115 5XY -0.00113 0.00006 0.00005 0.00260 -0.00015 116 5XZ 0.00009 0.00013 0.00002 -0.00020 -0.00053 117 5YZ -0.00008 -0.00060 0.00010 0.00020 0.00131 118 6 Cl 1S -0.00016 0.00047 -0.00170 0.00049 -0.00145 119 2S 0.00058 -0.00204 0.00735 -0.00155 0.00657 120 2PX 0.00207 -0.00309 0.01406 -0.00654 0.00952 121 2PY 0.00049 0.00069 -0.00580 -0.00143 -0.00243 122 2PZ 0.00083 -0.00095 0.00922 -0.00276 0.00323 123 3S -0.00209 0.00513 -0.01824 0.00678 -0.01499 124 3PX -0.00543 0.00846 -0.03752 0.01753 -0.02578 125 3PY -0.00136 -0.00190 0.01569 0.00383 0.00743 126 3PZ -0.00200 0.00254 -0.02488 0.00726 -0.00938 127 4S 0.00336 0.00483 -0.01747 -0.01417 -0.02285 128 4PX -0.00159 0.00487 -0.02435 0.00345 -0.01964 129 4PY 0.00030 -0.00073 0.01113 0.00011 -0.00160 130 4PZ -0.00039 0.00345 -0.01709 -0.00151 -0.00717 131 5XX 0.00077 -0.00106 0.00273 -0.00145 0.00350 132 5YY -0.00030 0.00031 -0.00061 0.00126 -0.00070 133 5ZZ -0.00021 0.00065 -0.00158 0.00102 -0.00133 134 5XY 0.00019 0.00037 -0.00251 -0.00048 -0.00133 135 5XZ 0.00010 -0.00009 0.00218 -0.00013 0.00015 136 5YZ 0.00004 0.00016 -0.00146 -0.00015 -0.00057 137 7 Cl 1S 0.00000 0.00000 -0.00005 0.00002 -0.00001 138 2S 0.00010 0.00000 0.00051 -0.00014 0.00001 139 2PX -0.00009 -0.00007 0.00047 0.00033 0.00021 140 2PY 0.00036 -0.00002 0.00037 -0.00111 0.00006 141 2PZ 0.00000 0.00048 -0.00017 -0.00002 -0.00144 142 3S 0.00004 0.00005 0.00002 0.00028 -0.00018 143 3PX 0.00022 0.00020 -0.00131 -0.00092 -0.00058 144 3PY -0.00094 0.00007 -0.00085 0.00291 -0.00017 145 3PZ 0.00000 -0.00122 0.00047 0.00005 0.00363 146 4S -0.00139 -0.00010 -0.00547 0.00123 0.00048 147 4PX 0.00024 0.00002 -0.00027 0.00000 -0.00006 148 4PY -0.00068 -0.00007 -0.00199 0.00182 0.00019 149 4PZ -0.00004 -0.00104 0.00002 -0.00001 0.00323 150 5XX 0.00008 0.00001 0.00018 0.00008 -0.00002 151 5YY 0.00014 0.00001 0.00025 -0.00008 -0.00004 152 5ZZ 0.00020 0.00001 0.00034 -0.00017 -0.00002 153 5XY 0.00005 0.00000 -0.00022 -0.00013 0.00003 154 5XZ 0.00000 0.00005 -0.00003 0.00000 -0.00012 155 5YZ 0.00001 0.00005 -0.00002 -0.00003 -0.00020 156 8 Cl 1S -0.00004 0.00000 -0.00027 0.00010 0.00000 157 2S 0.00012 0.00000 0.00109 -0.00058 0.00000 158 2PX 0.00035 -0.00009 0.00168 -0.00099 0.00028 159 2PY -0.00021 0.00005 -0.00101 0.00072 -0.00016 160 2PZ 0.00006 0.00071 0.00002 -0.00018 -0.00224 161 3S -0.00038 0.00003 -0.00318 0.00063 -0.00010 162 3PX -0.00091 0.00025 -0.00470 0.00237 -0.00076 163 3PY 0.00052 -0.00013 0.00259 -0.00192 0.00043 164 3PZ -0.00016 -0.00190 -0.00005 0.00048 0.00605 165 4S 0.00040 -0.00013 -0.00162 0.00355 0.00047 166 4PX -0.00025 0.00008 -0.00262 0.00330 -0.00025 167 4PY 0.00046 -0.00009 0.00254 -0.00109 0.00023 168 4PZ -0.00006 -0.00128 -0.00014 0.00025 0.00351 169 5XX -0.00005 -0.00002 0.00014 -0.00017 0.00005 170 5YY -0.00017 0.00000 -0.00025 0.00003 0.00000 171 5ZZ -0.00005 0.00003 0.00011 -0.00022 -0.00008 172 5XY -0.00006 0.00002 -0.00001 0.00004 -0.00005 173 5XZ 0.00001 0.00013 -0.00003 -0.00002 -0.00039 174 5YZ 0.00000 -0.00006 0.00003 0.00000 0.00020 81 82 83 84 85 81 9PX 0.66005 82 9PY 0.06372 0.64908 83 9PZ -0.00158 0.00079 0.70578 84 10PX 0.48566 0.09829 -0.00294 0.36816 85 10PY 0.10733 0.47472 0.00390 0.11378 0.35941 86 10PZ -0.00310 0.00356 0.58908 -0.00344 0.00506 87 11XX 0.01413 -0.00298 0.00005 0.04348 -0.03220 88 11YY 0.00091 -0.01739 0.00003 0.03736 -0.04138 89 11ZZ -0.00273 0.00015 0.00033 0.03690 -0.03364 90 11XY -0.01213 0.01221 -0.00018 -0.00309 0.00384 91 11XZ 0.00034 -0.00019 0.00760 0.00019 0.00004 92 11YZ -0.00016 0.00033 -0.00847 -0.00011 0.00003 93 12XX -0.04476 -0.00739 -0.00059 -0.01951 -0.02207 94 12YY 0.00136 0.03859 -0.00011 0.01798 0.01546 95 12ZZ -0.00376 -0.00098 -0.00199 0.01077 -0.01311 96 12XY 0.02034 -0.02096 -0.00024 0.01288 -0.01279 97 12XZ -0.00052 -0.00013 -0.02720 -0.00033 -0.00027 98 12YZ -0.00007 -0.00020 0.02961 -0.00015 0.00001 99 5 Cl 1S -0.00004 -0.00325 0.00022 -0.00052 -0.00138 100 2S 0.00118 0.01440 -0.00104 0.00357 0.00677 101 2PX 0.00278 0.01256 -0.00038 0.00063 0.02035 102 2PY 0.01089 -0.03994 0.00275 0.00077 -0.03225 103 2PZ -0.00037 0.00309 0.01180 0.00068 0.00268 104 3S 0.00269 -0.03298 0.00204 -0.00555 -0.02002 105 3PX -0.00440 -0.03175 0.00096 -0.00546 -0.05749 106 3PY -0.02760 0.10545 -0.00705 -0.00465 0.08682 107 3PZ 0.00096 -0.00794 -0.02644 -0.00165 -0.00719 108 4S -0.04210 -0.03384 0.00456 -0.03269 -0.02767 109 4PX -0.00762 -0.03700 0.00100 -0.00936 -0.04399 110 4PY -0.00073 0.05754 -0.00609 0.00650 0.04780 111 4PZ -0.00135 -0.00515 -0.04041 -0.00216 -0.00478 112 5XX 0.00143 0.00004 -0.00002 0.00115 0.00079 113 5YY 0.00162 0.00441 -0.00058 0.00109 0.00274 114 5ZZ 0.00089 -0.00035 0.00020 0.00077 -0.00013 115 5XY -0.00014 -0.00451 0.00026 -0.00066 -0.00232 116 5XZ -0.00003 0.00035 0.00098 0.00002 0.00019 117 5YZ -0.00019 -0.00032 -0.00225 -0.00007 -0.00017 118 6 Cl 1S 0.00314 -0.00078 0.00266 0.00122 -0.00031 119 2S -0.01399 0.00224 -0.01221 -0.00581 0.00057 120 2PX -0.02639 0.01200 -0.01783 -0.01856 0.00710 121 2PY 0.01058 0.00262 0.00472 0.01488 -0.00049 122 2PZ -0.01686 0.00505 -0.00617 -0.01316 0.00020 123 3S 0.03208 -0.01155 0.02694 0.01825 -0.00598 124 3PX 0.06918 -0.03248 0.04795 0.05757 -0.02093 125 3PY -0.02911 -0.00669 -0.01534 -0.03874 0.00041 126 3PZ 0.04604 -0.01399 0.01883 0.03454 0.00080 127 4S 0.04028 0.02764 0.04471 0.02865 0.02220 128 4PX 0.05030 -0.00562 0.03805 0.03949 -0.00137 129 4PY -0.01981 -0.00063 0.00373 -0.02252 0.00072 130 4PZ 0.03315 0.00364 0.01219 0.02537 0.00777 131 5XX -0.00526 0.00230 -0.00640 -0.00371 0.00103 132 5YY 0.00059 -0.00236 0.00116 0.00025 -0.00165 133 5ZZ 0.00266 -0.00199 0.00222 0.00200 -0.00079 134 5XY 0.00446 0.00082 0.00247 0.00334 0.00111 135 5XZ -0.00352 0.00007 -0.00018 -0.00219 -0.00037 136 5YZ 0.00260 0.00026 0.00104 0.00135 0.00086 137 7 Cl 1S 0.00006 -0.00002 0.00002 0.00048 -0.00020 138 2S -0.00060 0.00010 -0.00003 -0.00218 0.00063 139 2PX -0.00091 -0.00078 -0.00043 -0.00071 0.00048 140 2PY -0.00062 0.00201 -0.00013 -0.00131 0.00226 141 2PZ 0.00037 0.00001 0.00256 -0.00011 0.00025 142 3S 0.00020 -0.00075 0.00037 0.00090 -0.00034 143 3PX 0.00273 0.00237 0.00114 0.00032 -0.00184 144 3PY 0.00141 -0.00526 0.00031 0.00304 -0.00587 145 3PZ -0.00098 -0.00006 -0.00637 0.00020 -0.00064 146 4S 0.00682 -0.00110 -0.00091 0.00428 0.00054 147 4PX -0.00077 0.00000 0.00014 -0.00177 -0.00161 148 4PY 0.00302 -0.00321 -0.00033 0.00251 -0.00260 149 4PZ -0.00019 0.00009 -0.00577 0.00031 -0.00028 150 5XX -0.00012 -0.00024 0.00003 -0.00014 -0.00020 151 5YY -0.00025 0.00004 0.00008 0.00003 -0.00008 152 5ZZ -0.00051 0.00018 0.00004 -0.00044 0.00013 153 5XY 0.00033 0.00025 -0.00005 0.00032 0.00007 154 5XZ 0.00005 0.00000 0.00020 0.00006 0.00000 155 5YZ 0.00003 0.00005 0.00038 0.00006 0.00003 156 8 Cl 1S 0.00050 -0.00022 0.00000 0.00038 0.00010 157 2S -0.00195 0.00127 0.00002 -0.00178 -0.00001 158 2PX -0.00330 0.00184 -0.00053 -0.00299 0.00234 159 2PY 0.00159 -0.00130 0.00029 0.00315 -0.00142 160 2PZ 0.00001 0.00033 0.00428 -0.00037 0.00043 161 3S 0.00564 -0.00096 0.00016 0.00599 -0.00006 162 3PX 0.00984 -0.00417 0.00143 0.00534 -0.00610 163 3PY -0.00374 0.00367 -0.00078 -0.00976 0.00338 164 3PZ -0.00002 -0.00087 -0.01161 0.00099 -0.00111 165 4S 0.00255 -0.00825 -0.00088 0.00208 -0.00532 166 4PX 0.00380 -0.00697 0.00047 0.00154 -0.00651 167 4PY -0.00468 0.00183 -0.00040 -0.00665 0.00120 168 4PZ 0.00020 -0.00048 -0.00650 0.00053 -0.00058 169 5XX -0.00026 0.00040 -0.00008 -0.00042 0.00026 170 5YY 0.00048 0.00010 0.00000 0.00072 0.00004 171 5ZZ -0.00022 0.00052 0.00015 -0.00022 0.00038 172 5XY 0.00004 -0.00002 0.00008 -0.00012 0.00008 173 5XZ 0.00004 0.00004 0.00070 0.00006 0.00003 174 5YZ -0.00005 0.00000 -0.00036 -0.00010 0.00000 86 87 88 89 90 86 10PZ 0.49573 87 11XX 0.00100 2.71504 88 11YY 0.00077 -0.25817 2.71478 89 11ZZ 0.00121 -0.25787 -0.25794 2.71641 90 11XY 0.00005 0.00095 0.00091 0.00032 1.98203 91 11XZ 0.00563 -0.00004 -0.00003 -0.00004 0.00001 92 11YZ -0.00591 0.00002 0.00005 0.00004 -0.00001 93 12XX 0.00003 0.28498 0.22040 0.22384 0.00367 94 12YY 0.00049 0.22092 0.28799 0.22531 0.00369 95 12ZZ -0.00127 0.21929 0.22033 0.28755 0.00588 96 12XY -0.00038 -0.00253 -0.00237 -0.00030 0.04466 97 12XZ -0.02284 0.00016 0.00013 0.00013 -0.00007 98 12YZ 0.02476 -0.00008 -0.00016 -0.00011 0.00007 99 5 Cl 1S 0.00010 0.00014 0.00017 0.00007 -0.00009 100 2S -0.00055 -0.00052 -0.00101 -0.00038 0.00046 101 2PX -0.00058 0.00067 0.00181 0.00088 0.00021 102 2PY 0.00313 -0.00156 -0.00367 -0.00214 0.00011 103 2PZ 0.01784 0.00005 0.00025 0.00003 0.00000 104 3S 0.00154 0.00027 0.00038 -0.00064 -0.00104 105 3PX 0.00173 0.00072 -0.00237 0.00007 -0.00062 106 3PY -0.00859 0.00306 0.00824 0.00456 -0.00011 107 3PZ -0.05070 -0.00023 -0.00073 -0.00019 -0.00002 108 4S 0.00378 0.00373 0.01126 0.00652 -0.00150 109 4PX 0.00116 -0.01060 -0.00960 -0.00968 -0.00001 110 4PY -0.00639 0.00721 0.00736 0.00682 0.00067 111 4PZ -0.04869 0.00015 0.00015 0.00016 -0.00007 112 5XX -0.00006 0.00026 -0.00011 0.00007 0.00007 113 5YY -0.00029 -0.00148 -0.00215 -0.00152 0.00039 114 5ZZ 0.00002 -0.00033 -0.00067 -0.00054 0.00001 115 5XY 0.00019 0.00038 0.00032 0.00039 0.00006 116 5XZ 0.00112 -0.00005 -0.00004 -0.00005 -0.00001 117 5YZ -0.00093 0.00006 0.00009 0.00004 -0.00003 118 6 Cl 1S 0.00201 -0.00012 -0.00011 -0.00020 -0.00010 119 2S -0.00944 0.00068 0.00096 0.00126 0.00042 120 2PX -0.01647 0.00266 0.00156 0.00237 -0.00009 121 2PY 0.00421 -0.00144 -0.00075 -0.00111 -0.00023 122 2PZ -0.00539 0.00110 0.00045 0.00061 0.00001 123 3S 0.02244 0.00155 0.00201 0.00083 -0.00108 124 3PX 0.04618 -0.00517 -0.00232 -0.00457 0.00009 125 3PY -0.01010 0.00286 0.00104 0.00196 0.00059 126 3PZ 0.01266 -0.00394 -0.00227 -0.00277 -0.00015 127 4S 0.03652 -0.00831 -0.01468 -0.01331 -0.00132 128 4PX 0.03344 -0.01019 -0.01193 -0.01147 -0.00146 129 4PY 0.00449 0.00600 0.00516 0.00590 -0.00001 130 4PZ 0.00890 -0.00045 -0.00202 -0.00139 -0.00032 131 5XX -0.00524 -0.00017 0.00009 0.00016 0.00015 132 5YY 0.00106 0.00078 0.00113 0.00094 -0.00003 133 5ZZ 0.00164 0.00004 0.00039 0.00029 0.00003 134 5XY 0.00223 0.00036 0.00035 0.00033 -0.00002 135 5XZ 0.00021 -0.00097 -0.00088 -0.00080 0.00017 136 5YZ 0.00100 0.00036 0.00029 0.00033 0.00001 137 7 Cl 1S 0.00000 0.00009 0.00008 0.00010 -0.00001 138 2S 0.00005 -0.00092 -0.00091 -0.00087 -0.00002 139 2PX -0.00014 0.00003 0.00017 0.00007 0.00010 140 2PY -0.00003 0.00000 0.00003 0.00011 -0.00005 141 2PZ 0.00297 -0.00003 0.00000 -0.00002 0.00001 142 3S 0.00013 -0.00135 -0.00156 -0.00122 -0.00016 143 3PX 0.00046 0.00049 0.00010 0.00039 -0.00029 144 3PY 0.00023 -0.00013 -0.00020 -0.00038 0.00011 145 3PZ -0.00756 0.00007 -0.00002 0.00003 -0.00002 146 4S -0.00086 0.01189 0.01303 0.01110 0.00084 147 4PX -0.00006 0.00067 0.00124 0.00015 0.00053 148 4PY -0.00031 0.00163 0.00190 0.00143 0.00020 149 4PZ -0.00609 0.00003 -0.00002 -0.00003 0.00002 150 5XX 0.00001 -0.00097 -0.00102 -0.00091 -0.00007 151 5YY 0.00006 -0.00094 -0.00103 -0.00091 -0.00005 152 5ZZ 0.00005 -0.00077 -0.00081 -0.00069 -0.00006 153 5XY -0.00006 0.00008 0.00010 0.00006 0.00002 154 5XZ 0.00018 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00030 0.00001 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00002 -0.00013 -0.00012 -0.00013 0.00000 157 2S -0.00005 0.00092 0.00085 0.00091 0.00002 158 2PX -0.00041 0.00052 0.00036 0.00051 0.00000 159 2PY 0.00037 -0.00010 -0.00002 -0.00013 0.00002 160 2PZ 0.00373 0.00001 0.00001 0.00002 -0.00001 161 3S 0.00019 0.00111 0.00116 0.00098 -0.00005 162 3PX 0.00113 -0.00141 -0.00102 -0.00136 0.00000 163 3PY -0.00101 0.00019 -0.00003 0.00027 -0.00003 164 3PZ -0.00969 0.00003 0.00002 -0.00001 0.00002 165 4S -0.00071 -0.01026 -0.00952 -0.00948 -0.00018 166 4PX 0.00041 -0.00263 -0.00139 -0.00253 0.00030 167 4PY -0.00044 0.00065 0.00083 0.00069 0.00018 168 4PZ -0.00542 -0.00035 -0.00037 -0.00038 0.00002 169 5XX -0.00010 0.00078 0.00077 0.00074 0.00002 170 5YY 0.00001 0.00084 0.00081 0.00080 -0.00001 171 5ZZ 0.00013 0.00080 0.00078 0.00078 0.00001 172 5XY 0.00007 0.00014 0.00013 0.00015 -0.00001 173 5XZ 0.00061 -0.00001 -0.00001 -0.00001 0.00000 174 5YZ -0.00032 0.00002 0.00002 0.00002 0.00000 91 92 93 94 95 91 11XZ 1.98245 92 11YZ 0.00031 1.98238 93 12XX -0.00006 0.00012 0.08691 94 12YY -0.00008 0.00003 0.08269 0.08766 95 12ZZ -0.00008 0.00007 0.08189 0.08221 0.08266 96 12XY -0.00006 0.00006 -0.00248 -0.00262 -0.00077 97 12XZ 0.04279 -0.00076 0.00009 0.00005 0.00011 98 12YZ -0.00073 0.04296 -0.00008 -0.00010 -0.00014 99 5 Cl 1S 0.00000 0.00000 0.00035 0.00023 0.00036 100 2S -0.00002 0.00003 -0.00131 -0.00046 -0.00115 101 2PX -0.00002 -0.00004 -0.00596 -0.00618 -0.00453 102 2PY -0.00005 0.00016 -0.00133 0.00132 -0.00240 103 2PZ -0.00014 0.00071 0.00033 0.00002 0.00049 104 3S 0.00000 -0.00001 0.00094 -0.00261 0.00036 105 3PX 0.00006 0.00012 0.02173 0.02120 0.01744 106 3PY 0.00011 -0.00041 -0.00065 -0.00609 0.00279 107 3PZ 0.00037 -0.00186 -0.00097 -0.00034 -0.00139 108 4S 0.00030 -0.00039 0.00744 0.00044 0.00452 109 4PX 0.00004 0.00003 0.00775 0.00625 0.00507 110 4PY -0.00010 -0.00001 -0.00023 -0.00051 0.00180 111 4PZ -0.00093 0.00050 -0.00024 -0.00018 -0.00048 112 5XX -0.00002 0.00002 -0.00047 -0.00053 -0.00022 113 5YY -0.00003 0.00004 -0.00040 0.00057 -0.00063 114 5ZZ -0.00001 0.00001 -0.00024 -0.00035 -0.00007 115 5XY 0.00000 0.00001 -0.00050 -0.00072 -0.00056 116 5XZ 0.00000 0.00001 0.00004 0.00006 0.00005 117 5YZ -0.00005 0.00004 0.00005 -0.00006 0.00009 118 6 Cl 1S 0.00001 -0.00002 -0.00049 -0.00040 -0.00043 119 2S -0.00006 0.00015 0.00204 0.00158 0.00174 120 2PX 0.00076 -0.00042 0.00167 0.00257 0.00216 121 2PY -0.00040 -0.00006 0.00163 0.00129 0.00213 122 2PZ 0.00036 -0.00018 -0.00051 -0.00050 0.00086 123 3S 0.00008 -0.00013 -0.00186 -0.00009 0.00030 124 3PX -0.00195 0.00106 0.00082 -0.00047 0.00070 125 3PY 0.00101 0.00018 -0.00656 -0.00558 -0.00749 126 3PZ -0.00089 0.00041 -0.00248 -0.00208 -0.00557 127 4S 0.00121 -0.00176 -0.00609 -0.00122 -0.00348 128 4PX -0.00078 -0.00090 -0.00393 -0.00281 -0.00283 129 4PY 0.00131 -0.00043 -0.00067 -0.00036 -0.00153 130 4PZ -0.00078 0.00028 -0.00163 0.00011 -0.00206 131 5XX -0.00006 0.00014 0.00036 0.00022 0.00012 132 5YY 0.00000 0.00007 0.00009 0.00001 0.00031 133 5ZZ -0.00005 0.00010 0.00004 -0.00007 -0.00021 134 5XY 0.00001 -0.00002 -0.00021 0.00017 0.00002 135 5XZ -0.00009 0.00004 0.00026 -0.00011 -0.00025 136 5YZ 0.00002 0.00000 -0.00050 -0.00019 -0.00035 137 7 Cl 1S 0.00000 0.00000 0.00058 0.00065 0.00055 138 2S 0.00000 0.00000 -0.00222 -0.00253 -0.00217 139 2PX 0.00002 -0.00001 -0.00048 -0.00086 -0.00064 140 2PY 0.00000 0.00000 -0.00076 -0.00079 -0.00103 141 2PZ -0.00009 0.00006 -0.00015 -0.00026 -0.00025 142 3S -0.00001 -0.00001 0.00025 0.00044 0.00020 143 3PX -0.00006 0.00003 0.00213 0.00270 0.00296 144 3PY -0.00001 -0.00001 0.00175 0.00174 0.00226 145 3PZ 0.00023 -0.00016 0.00034 0.00065 0.00064 146 4S 0.00008 0.00001 0.00253 0.00310 0.00283 147 4PX 0.00002 0.00002 0.00096 0.00113 0.00139 148 4PY 0.00003 -0.00001 0.00065 0.00069 0.00092 149 4PZ 0.00002 -0.00020 0.00013 0.00030 0.00032 150 5XX -0.00001 0.00000 -0.00024 -0.00029 -0.00027 151 5YY -0.00001 0.00000 -0.00011 -0.00010 -0.00010 152 5ZZ -0.00001 0.00000 -0.00024 -0.00027 -0.00027 153 5XY 0.00000 0.00000 0.00015 0.00019 0.00018 154 5XZ 0.00000 0.00000 0.00001 0.00001 0.00001 155 5YZ 0.00001 -0.00001 0.00002 0.00003 0.00002 156 8 Cl 1S 0.00000 0.00000 -0.00049 -0.00048 -0.00046 157 2S -0.00001 0.00000 0.00178 0.00170 0.00162 158 2PX 0.00003 0.00000 0.00039 0.00092 0.00019 159 2PY -0.00001 0.00000 0.00094 0.00096 0.00119 160 2PZ -0.00020 0.00009 -0.00023 -0.00023 -0.00030 161 3S -0.00001 -0.00004 -0.00015 0.00023 0.00025 162 3PX -0.00007 0.00000 -0.00187 -0.00373 -0.00137 163 3PY 0.00001 0.00001 -0.00267 -0.00307 -0.00341 164 3PZ 0.00052 -0.00023 0.00064 0.00065 0.00083 165 4S 0.00015 0.00013 -0.00279 -0.00344 -0.00291 166 4PX 0.00004 0.00003 -0.00125 -0.00264 -0.00114 167 4PY 0.00001 -0.00002 -0.00106 -0.00145 -0.00143 168 4PZ 0.00027 -0.00026 0.00017 0.00017 0.00028 169 5XX -0.00001 0.00000 0.00008 0.00007 0.00006 170 5YY -0.00001 -0.00001 0.00036 0.00041 0.00040 171 5ZZ -0.00001 -0.00001 0.00021 0.00026 0.00021 172 5XY 0.00000 0.00000 0.00001 0.00003 -0.00001 173 5XZ -0.00001 -0.00001 -0.00001 0.00001 0.00000 174 5YZ -0.00001 0.00001 -0.00001 -0.00003 -0.00002 96 97 98 99 100 96 12XY 0.00302 97 12XZ -0.00001 0.00210 98 12YZ 0.00001 -0.00122 0.00222 99 5 Cl 1S -0.00005 0.00001 0.00000 2.16061 100 2S 0.00017 -0.00002 -0.00002 -0.61777 2.38954 101 2PX -0.00017 0.00010 0.00007 -0.00109 0.00504 102 2PY -0.00188 0.00007 -0.00031 -0.00382 0.01756 103 2PZ 0.00006 -0.00059 -0.00109 0.00030 -0.00131 104 3S 0.00089 -0.00005 0.00014 0.04677 -0.44173 105 3PX 0.00033 -0.00028 -0.00019 0.00304 -0.01447 106 3PY 0.00364 -0.00005 0.00072 0.01048 -0.04804 107 3PZ -0.00004 0.00237 0.00192 -0.00081 0.00360 108 4S 0.00047 -0.00021 0.00032 0.07187 -0.29778 109 4PX 0.00044 -0.00014 -0.00011 0.00080 -0.00518 110 4PY 0.00088 0.00013 0.00016 0.00508 -0.02573 111 4PZ 0.00007 0.00236 -0.00007 -0.00037 0.00182 112 5XX 0.00021 0.00000 0.00001 0.02229 -0.02432 113 5YY -0.00069 0.00004 -0.00009 0.02379 -0.03137 114 5ZZ 0.00023 -0.00001 0.00004 0.02225 -0.02413 115 5XY -0.00006 0.00000 0.00001 0.00056 -0.00254 116 5XZ 0.00000 -0.00005 0.00000 -0.00004 0.00017 117 5YZ 0.00007 0.00007 -0.00021 -0.00013 0.00060 118 6 Cl 1S 0.00004 -0.00018 0.00010 -0.00004 0.00012 119 2S -0.00014 0.00071 -0.00050 0.00012 -0.00030 120 2PX 0.00102 -0.00091 0.00004 0.00069 -0.00264 121 2PY 0.00147 0.00096 0.00055 0.00099 -0.00437 122 2PZ 0.00085 -0.00057 0.00027 0.00031 -0.00129 123 3S 0.00128 -0.00148 0.00154 -0.00045 0.00164 124 3PX -0.00154 0.00282 0.00075 -0.00177 0.00734 125 3PY -0.00316 -0.00310 -0.00119 -0.00254 0.01170 126 3PZ -0.00177 0.00200 -0.00069 -0.00073 0.00277 127 4S 0.00035 -0.00188 0.00217 0.00144 -0.00555 128 4PX -0.00022 0.00063 0.00110 0.00036 -0.00147 129 4PY -0.00183 -0.00226 -0.00011 -0.00078 0.00411 130 4PZ -0.00056 0.00083 -0.00014 -0.00002 -0.00019 131 5XX -0.00024 0.00026 -0.00030 -0.00006 0.00030 132 5YY 0.00023 -0.00008 0.00006 0.00001 -0.00002 133 5ZZ -0.00009 -0.00002 0.00006 -0.00008 0.00035 134 5XY 0.00004 -0.00008 0.00007 0.00001 0.00002 135 5XZ -0.00052 0.00020 -0.00007 -0.00010 0.00045 136 5YZ -0.00009 -0.00010 0.00001 -0.00011 0.00057 137 7 Cl 1S 0.00003 0.00000 0.00000 -0.00002 0.00004 138 2S -0.00012 -0.00002 0.00000 0.00004 -0.00007 139 2PX -0.00019 -0.00008 0.00004 0.00016 -0.00061 140 2PY 0.00013 -0.00001 -0.00002 0.00015 -0.00072 141 2PZ -0.00006 0.00010 -0.00009 0.00000 -0.00002 142 3S -0.00009 0.00000 0.00002 -0.00024 0.00092 143 3PX 0.00026 0.00017 -0.00007 -0.00039 0.00135 144 3PY -0.00029 0.00001 0.00008 -0.00038 0.00186 145 3PZ 0.00015 -0.00015 0.00034 -0.00001 0.00007 146 4S 0.00013 0.00009 -0.00005 0.00065 -0.00207 147 4PX 0.00019 0.00012 -0.00005 -0.00037 0.00155 148 4PY -0.00009 0.00001 0.00002 -0.00013 0.00080 149 4PZ 0.00010 -0.00005 0.00010 0.00001 -0.00001 150 5XX 0.00001 0.00000 0.00000 -0.00005 0.00012 151 5YY -0.00002 0.00000 0.00000 -0.00006 0.00021 152 5ZZ -0.00001 -0.00001 0.00000 -0.00004 0.00011 153 5XY 0.00003 0.00001 -0.00001 0.00001 -0.00003 154 5XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 155 5YZ 0.00001 -0.00003 0.00003 0.00000 -0.00002 156 8 Cl 1S -0.00001 0.00000 0.00001 0.00001 0.00002 157 2S -0.00001 0.00002 -0.00003 0.00002 -0.00028 158 2PX -0.00009 -0.00004 -0.00003 0.00004 -0.00030 159 2PY 0.00000 -0.00001 0.00003 -0.00001 0.00011 160 2PZ 0.00002 0.00044 -0.00008 0.00000 -0.00002 161 3S 0.00015 -0.00007 0.00004 0.00018 -0.00058 162 3PX -0.00002 0.00008 0.00010 -0.00010 0.00069 163 3PY -0.00020 0.00002 -0.00009 0.00003 -0.00027 164 3PZ -0.00005 -0.00109 0.00025 0.00002 0.00004 165 4S 0.00050 -0.00003 -0.00001 -0.00107 0.00382 166 4PX 0.00020 0.00005 0.00005 -0.00024 0.00112 167 4PY -0.00017 0.00002 -0.00003 0.00005 -0.00013 168 4PZ -0.00001 -0.00061 0.00013 -0.00002 0.00014 169 5XX -0.00003 0.00001 -0.00001 0.00007 -0.00021 170 5YY 0.00000 -0.00001 0.00000 0.00009 -0.00032 171 5ZZ -0.00002 0.00000 0.00001 0.00007 -0.00025 172 5XY -0.00001 -0.00001 0.00000 0.00000 -0.00003 173 5XZ 0.00001 0.00000 0.00004 0.00000 0.00001 174 5YZ 0.00000 0.00002 -0.00003 0.00000 0.00001 101 102 103 104 105 101 2PX 2.11756 102 2PY -0.00593 2.09759 103 2PZ 0.00046 0.00163 2.11787 104 3S -0.01105 -0.04008 0.00321 1.20464 105 3PX -0.33535 0.01637 -0.00124 0.02798 1.00764 106 3PY 0.01636 -0.28026 -0.00444 0.10588 -0.04415 107 3PZ -0.00123 -0.00442 -0.33540 -0.00843 0.00318 108 4S -0.01908 -0.05889 0.00398 0.50940 0.05791 109 4PX -0.21912 0.02142 -0.00161 0.01692 0.50676 110 4PY 0.02231 -0.14479 -0.00588 0.06953 -0.05900 111 4PZ -0.00171 -0.00609 -0.22745 -0.00529 0.00470 112 5XX 0.00446 -0.00518 0.00042 -0.01853 -0.01255 113 5YY -0.00121 0.01637 0.00037 -0.00470 0.00151 114 5ZZ -0.00169 -0.00503 -0.00117 -0.01885 0.00369 115 5XY 0.01175 0.00386 -0.00003 0.00489 -0.03093 116 5XZ -0.00090 -0.00003 0.00318 -0.00031 0.00237 117 5YZ -0.00001 -0.00095 0.01187 -0.00113 0.00010 118 6 Cl 1S -0.00100 -0.00099 -0.00108 -0.00048 0.00260 119 2S 0.00455 0.00400 0.00499 0.00188 -0.01226 120 2PX 0.00465 0.00830 0.00542 0.00799 -0.01227 121 2PY 0.00801 0.00635 0.00517 0.01018 -0.02114 122 2PZ 0.00495 0.00498 0.00197 0.00383 -0.01279 123 3S -0.01018 -0.01155 -0.01105 -0.00256 0.02500 124 3PX -0.01239 -0.02208 -0.01438 -0.01850 0.03204 125 3PY -0.02139 -0.01710 -0.01450 -0.02461 0.05646 126 3PZ -0.01338 -0.01330 -0.00573 -0.00964 0.03461 127 4S -0.01596 0.00082 -0.01743 0.00447 0.05169 128 4PX -0.01008 -0.00997 -0.01388 -0.00307 0.03143 129 4PY -0.01623 -0.01100 -0.00714 -0.01266 0.04433 130 4PZ -0.01155 -0.00464 -0.00622 -0.00143 0.03249 131 5XX -0.00021 0.00114 0.00129 -0.00026 -0.00005 132 5YY 0.00186 0.00012 0.00097 0.00044 -0.00514 133 5ZZ -0.00087 -0.00122 -0.00098 -0.00058 0.00213 134 5XY 0.00169 0.00182 0.00197 -0.00050 -0.00434 135 5XZ 0.00072 0.00045 -0.00026 -0.00154 -0.00154 136 5YZ 0.00133 0.00057 0.00026 -0.00153 -0.00322 137 7 Cl 1S -0.00015 -0.00015 0.00001 -0.00024 0.00037 138 2S 0.00059 0.00073 -0.00006 0.00088 -0.00133 139 2PX 0.00051 0.00081 0.00012 0.00194 -0.00157 140 2PY 0.00070 0.00126 -0.00009 0.00140 -0.00176 141 2PZ -0.00008 -0.00018 -0.00179 -0.00003 0.00022 142 3S -0.00181 -0.00153 0.00002 -0.00169 0.00494 143 3PX -0.00158 -0.00206 -0.00035 -0.00532 0.00544 144 3PY -0.00193 -0.00329 0.00022 -0.00353 0.00476 145 3PZ 0.00022 0.00048 0.00482 0.00005 -0.00055 146 4S -0.00100 -0.00258 0.00066 0.00041 -0.00009 147 4PX -0.00031 -0.00203 0.00000 -0.00419 -0.00158 148 4PY -0.00162 -0.00272 0.00028 -0.00186 0.00358 149 4PZ 0.00006 0.00031 0.00277 0.00004 -0.00027 150 5XX 0.00007 0.00014 0.00000 0.00006 0.00002 151 5YY -0.00009 -0.00003 -0.00002 -0.00011 0.00039 152 5ZZ 0.00006 0.00020 -0.00004 0.00009 -0.00004 153 5XY 0.00006 0.00014 0.00001 -0.00002 -0.00028 154 5XZ -0.00002 -0.00003 -0.00021 0.00001 0.00006 155 5YZ -0.00001 -0.00001 -0.00026 0.00004 0.00001 156 8 Cl 1S -0.00003 -0.00003 -0.00001 0.00018 0.00008 157 2S 0.00024 0.00022 -0.00001 -0.00059 -0.00056 158 2PX 0.00037 0.00022 0.00018 0.00009 -0.00107 159 2PY 0.00034 -0.00081 0.00000 -0.00006 -0.00093 160 2PZ -0.00012 -0.00007 -0.00108 -0.00013 0.00033 161 3S -0.00006 -0.00011 -0.00012 0.00094 0.00005 162 3PX -0.00104 -0.00057 -0.00048 -0.00020 0.00305 163 3PY -0.00098 0.00208 -0.00002 0.00024 0.00274 164 3PZ 0.00034 0.00019 0.00272 0.00036 -0.00093 165 4S -0.00205 -0.00210 0.00048 -0.00178 0.00405 166 4PX -0.00010 -0.00049 -0.00001 -0.00058 -0.00089 167 4PY 0.00035 0.00153 -0.00007 -0.00014 -0.00122 168 4PZ -0.00010 0.00005 0.00236 0.00002 0.00015 169 5XX -0.00008 -0.00001 0.00000 0.00002 0.00019 170 5YY 0.00022 0.00005 -0.00002 0.00015 -0.00048 171 5ZZ 0.00005 0.00019 -0.00006 0.00010 -0.00031 172 5XY 0.00012 -0.00007 -0.00001 -0.00005 -0.00027 173 5XZ -0.00004 -0.00002 -0.00013 0.00001 0.00010 174 5YZ 0.00000 0.00001 0.00008 -0.00003 -0.00001 106 107 108 109 110 106 3PY 0.85752 107 3PZ 0.01181 1.00355 108 4S 0.15172 -0.01040 0.24455 109 4PX -0.05384 0.00428 0.02606 0.25854 110 4PY 0.32299 0.01495 0.06455 -0.04159 0.12639 111 4PZ 0.01543 0.53378 -0.00441 0.00344 0.01124 112 5XX 0.01332 -0.00109 -0.00503 -0.00683 0.00498 113 5YY -0.04678 -0.00071 -0.00665 0.00233 -0.01722 114 5ZZ 0.01318 0.00308 -0.00425 0.00128 0.00420 115 5XY -0.01137 0.00013 -0.00103 -0.01482 -0.00270 116 5XZ 0.00015 -0.00842 0.00012 0.00113 -0.00016 117 5YZ 0.00282 -0.03128 0.00022 -0.00015 0.00064 118 6 Cl 1S 0.00242 0.00281 0.00152 0.00048 0.00054 119 2S -0.00966 -0.01315 -0.00584 -0.00271 -0.00213 120 2PX -0.02138 -0.01428 -0.00549 -0.00464 -0.00783 121 2PY -0.01683 -0.01400 0.00945 -0.01434 -0.01081 122 2PZ -0.01268 -0.00543 -0.00357 -0.00817 -0.00367 123 3S 0.02845 0.02795 0.00751 0.00787 0.00848 124 3PX 0.05698 0.03718 0.00257 0.01692 0.02481 125 3PY 0.04633 0.04007 -0.03471 0.03966 0.02835 126 3PZ 0.03467 0.01649 0.01180 0.02201 0.00861 127 4S -0.00229 0.05007 0.00225 0.02341 -0.00187 128 4PX 0.02659 0.03969 0.00336 0.01540 0.01115 129 4PY 0.02561 0.01762 -0.01502 0.02731 0.01408 130 4PZ 0.01108 0.01415 0.00541 0.01796 0.00202 131 5XX -0.00232 -0.00329 -0.00034 -0.00008 -0.00087 132 5YY -0.00022 -0.00265 -0.00035 -0.00263 0.00014 133 5ZZ 0.00350 0.00224 0.00092 0.00138 0.00106 134 5XY -0.00469 -0.00520 -0.00113 -0.00207 -0.00154 135 5XZ -0.00074 0.00079 -0.00053 -0.00050 0.00010 136 5YZ -0.00139 -0.00073 -0.00236 -0.00112 0.00014 137 7 Cl 1S 0.00039 -0.00003 0.00062 0.00036 0.00018 138 2S -0.00185 0.00018 -0.00191 -0.00152 -0.00096 139 2PX -0.00220 -0.00034 0.00065 -0.00030 -0.00173 140 2PY -0.00327 0.00023 0.00281 -0.00208 -0.00288 141 2PZ 0.00048 0.00482 0.00045 0.00004 0.00015 142 3S 0.00391 -0.00006 0.00010 0.00410 0.00214 143 3PX 0.00558 0.00097 0.00160 -0.00183 0.00372 144 3PY 0.00859 -0.00060 -0.00744 0.00584 0.00742 145 3PZ -0.00129 -0.01308 -0.00108 -0.00018 -0.00040 146 4S 0.00651 -0.00181 -0.00063 0.00069 0.00311 147 4PX 0.00561 -0.00009 -0.00022 -0.00302 0.00317 148 4PY 0.00691 -0.00075 -0.00350 0.00335 0.00433 149 4PZ -0.00085 -0.00712 -0.00053 -0.00016 -0.00027 150 5XX -0.00032 0.00000 0.00041 -0.00015 -0.00028 151 5YY 0.00011 0.00006 -0.00034 0.00041 0.00021 152 5ZZ -0.00048 0.00012 0.00014 -0.00009 -0.00029 153 5XY -0.00034 -0.00003 0.00021 -0.00027 -0.00012 154 5XZ 0.00007 0.00053 0.00001 0.00004 0.00003 155 5YZ 0.00001 0.00067 0.00000 0.00001 0.00001 156 8 Cl 1S 0.00007 0.00002 -0.00109 0.00020 0.00014 157 2S -0.00052 0.00000 0.00391 -0.00100 -0.00056 158 2PX -0.00052 -0.00050 0.00274 0.00016 -0.00091 159 2PY 0.00210 -0.00002 -0.00129 -0.00006 0.00146 160 2PZ 0.00019 0.00273 0.00065 -0.00005 -0.00013 161 3S 0.00032 0.00031 -0.00194 0.00058 0.00020 162 3PX 0.00129 0.00130 -0.00531 -0.00167 0.00200 163 3PY -0.00536 0.00012 0.00354 -0.00020 -0.00391 164 3PZ -0.00044 -0.00676 -0.00171 0.00009 0.00030 165 4S 0.00498 -0.00125 0.00322 0.00168 0.00019 166 4PX 0.00109 0.00003 -0.00111 -0.00215 0.00065 167 4PY -0.00405 0.00016 0.00002 -0.00126 -0.00199 168 4PZ -0.00029 -0.00609 -0.00073 0.00029 0.00003 169 5XX 0.00003 -0.00001 -0.00038 0.00006 0.00010 170 5YY -0.00011 0.00006 -0.00020 -0.00013 0.00009 171 5ZZ -0.00045 0.00014 0.00003 -0.00016 -0.00016 172 5XY 0.00017 0.00003 0.00038 -0.00015 -0.00001 173 5XZ 0.00004 0.00031 -0.00010 0.00008 0.00003 174 5YZ -0.00002 -0.00026 0.00007 -0.00003 -0.00003 111 112 113 114 115 111 4PZ 0.28644 112 5XX -0.00044 0.00125 113 5YY -0.00088 -0.00020 0.00341 114 5ZZ 0.00182 0.00105 -0.00022 0.00115 115 5XY -0.00018 0.00012 0.00068 -0.00043 0.00130 116 5XZ -0.00447 -0.00001 -0.00001 -0.00001 -0.00009 117 5YZ -0.01645 0.00011 -0.00017 -0.00002 -0.00008 118 6 Cl 1S 0.00138 -0.00001 -0.00013 0.00005 -0.00007 119 2S -0.00663 0.00009 0.00050 -0.00019 0.00035 120 2PX -0.00958 0.00016 0.00012 -0.00003 -0.00074 121 2PY -0.00839 -0.00096 0.00028 -0.00033 -0.00079 122 2PZ -0.00372 -0.00047 -0.00023 0.00014 -0.00050 123 3S 0.01541 0.00017 -0.00151 0.00107 -0.00121 124 3PX 0.02759 0.00031 -0.00012 0.00089 0.00148 125 3PY 0.02145 0.00281 -0.00037 0.00133 0.00187 126 3PZ 0.00812 0.00072 -0.00005 -0.00072 0.00097 127 4S 0.02556 -0.00082 0.00055 0.00052 -0.00193 128 4PX 0.02368 -0.00011 -0.00009 0.00056 -0.00003 129 4PY 0.00890 0.00123 -0.00038 0.00079 0.00026 130 4PZ 0.00727 -0.00003 0.00025 -0.00029 -0.00023 131 5XX -0.00154 -0.00007 0.00015 -0.00006 -0.00002 132 5YY -0.00149 0.00006 -0.00010 0.00001 0.00012 133 5ZZ 0.00109 0.00007 -0.00010 -0.00001 0.00007 134 5XY -0.00291 -0.00001 0.00030 -0.00011 0.00022 135 5XZ 0.00082 -0.00003 0.00030 -0.00007 0.00028 136 5YZ -0.00045 0.00013 0.00019 -0.00002 0.00030 137 7 Cl 1S 0.00002 -0.00005 -0.00006 -0.00004 0.00001 138 2S -0.00001 0.00011 0.00021 0.00010 -0.00004 139 2PX -0.00005 -0.00006 0.00008 -0.00005 -0.00007 140 2PY 0.00013 -0.00013 0.00001 -0.00022 -0.00015 141 2PZ 0.00275 -0.00001 0.00003 -0.00005 0.00003 142 3S 0.00005 0.00008 -0.00012 0.00012 0.00000 143 3PX 0.00018 -0.00006 -0.00042 -0.00001 0.00032 144 3PY -0.00028 0.00033 -0.00004 0.00057 0.00034 145 3PZ -0.00703 0.00001 -0.00007 0.00014 -0.00006 146 4S -0.00084 0.00036 -0.00027 0.00011 0.00019 147 4PX -0.00011 0.00012 -0.00038 0.00007 0.00029 148 4PY -0.00034 0.00026 -0.00016 0.00031 0.00013 149 4PZ -0.00381 0.00000 -0.00004 0.00007 -0.00004 150 5XX -0.00001 -0.00003 0.00000 -0.00002 -0.00001 151 5YY 0.00003 0.00000 0.00001 0.00002 0.00000 152 5ZZ 0.00006 -0.00002 0.00001 -0.00002 -0.00002 153 5XY -0.00003 -0.00001 0.00000 -0.00002 0.00000 154 5XZ 0.00031 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00039 0.00000 0.00000 0.00000 -0.00001 156 8 Cl 1S -0.00002 0.00007 0.00008 0.00007 -0.00001 157 2S 0.00011 -0.00026 -0.00028 -0.00025 0.00007 158 2PX 0.00001 -0.00004 -0.00011 -0.00013 0.00018 159 2PY 0.00008 -0.00007 0.00005 0.00017 0.00011 160 2PZ 0.00233 -0.00002 -0.00002 -0.00006 0.00002 161 3S 0.00001 0.00002 0.00016 0.00011 -0.00001 162 3PX 0.00010 0.00006 0.00021 0.00045 -0.00039 163 3PY -0.00030 0.00015 -0.00012 -0.00031 -0.00027 164 3PZ -0.00602 0.00004 0.00004 0.00015 -0.00005 165 4S -0.00053 -0.00008 -0.00048 0.00004 -0.00030 166 4PX -0.00016 0.00002 -0.00007 0.00020 -0.00017 167 4PY -0.00013 0.00010 0.00006 -0.00011 -0.00008 168 4PZ -0.00461 0.00001 0.00000 0.00008 -0.00005 169 5XX -0.00003 0.00003 0.00001 0.00001 0.00000 170 5YY 0.00003 0.00000 0.00003 0.00001 0.00002 171 5ZZ 0.00007 0.00000 0.00002 -0.00001 0.00001 172 5XY 0.00003 0.00000 -0.00002 -0.00002 0.00002 173 5XZ 0.00016 0.00001 0.00000 0.00001 -0.00001 174 5YZ -0.00011 0.00000 0.00000 -0.00001 0.00000 116 117 118 119 120 116 5XZ 0.00011 117 5YZ 0.00030 0.00107 118 6 Cl 1S 0.00000 -0.00005 2.16061 119 2S -0.00005 0.00023 -0.61772 2.38915 120 2PX -0.00044 -0.00088 -0.00014 0.00067 2.10343 121 2PY -0.00094 -0.00085 0.00019 -0.00081 -0.00479 122 2PZ -0.00039 -0.00044 0.00365 -0.01534 0.00024 123 3S 0.00014 -0.00062 0.04671 -0.44050 -0.00147 124 3PX 0.00131 0.00198 0.00038 -0.00175 -0.29901 125 3PY 0.00263 0.00215 -0.00051 0.00219 0.01274 126 3PZ 0.00114 0.00113 -0.00974 0.04154 -0.00066 127 4S -0.00009 -0.00170 0.07326 -0.30435 -0.00251 128 4PX 0.00033 -0.00008 0.00025 -0.00119 -0.18225 129 4PY 0.00146 0.00114 -0.00018 0.00086 0.01142 130 4PZ 0.00055 0.00031 -0.00354 0.01687 -0.00154 131 5XX 0.00003 0.00014 0.02407 -0.03237 0.00098 132 5YY 0.00000 0.00007 0.02194 -0.02245 -0.00028 133 5ZZ 0.00000 -0.00005 0.02328 -0.02887 -0.00029 134 5XY 0.00005 0.00015 0.00059 -0.00275 -0.00090 135 5XZ 0.00006 0.00012 -0.00002 0.00010 -0.01781 136 5YZ 0.00007 0.00010 0.00010 -0.00047 -0.00148 137 7 Cl 1S 0.00000 0.00000 -0.00004 0.00012 -0.00074 138 2S 0.00000 0.00000 0.00012 -0.00030 0.00282 139 2PX -0.00003 -0.00004 0.00107 -0.00485 0.00552 140 2PY 0.00001 -0.00002 0.00088 -0.00343 0.00804 141 2PZ 0.00021 0.00026 -0.00111 0.00507 -0.00608 142 3S -0.00001 -0.00001 -0.00046 0.00177 -0.00855 143 3PX 0.00005 0.00011 -0.00275 0.01306 -0.01454 144 3PY -0.00003 0.00003 -0.00211 0.00815 -0.02070 145 3PZ -0.00052 -0.00068 0.00287 -0.01327 0.01598 146 4S -0.00002 0.00005 0.00144 -0.00553 0.00582 147 4PX 0.00003 0.00010 -0.00054 0.00303 -0.00563 148 4PY -0.00001 0.00003 -0.00043 0.00153 -0.00710 149 4PZ -0.00030 -0.00039 0.00138 -0.00659 0.01037 150 5XX 0.00000 0.00000 -0.00001 0.00010 -0.00009 151 5YY 0.00000 0.00000 -0.00010 0.00040 -0.00031 152 5ZZ 0.00000 0.00000 0.00004 -0.00015 0.00009 153 5XY 0.00000 0.00001 -0.00008 0.00038 0.00071 154 5XZ 0.00001 0.00000 0.00001 0.00001 -0.00058 155 5YZ 0.00000 -0.00002 0.00006 -0.00027 -0.00083 156 8 Cl 1S 0.00000 0.00000 -0.00004 0.00011 -0.00107 157 2S -0.00001 0.00001 0.00011 -0.00025 0.00431 158 2PX -0.00004 -0.00002 0.00136 -0.00591 0.01184 159 2PY -0.00001 0.00001 -0.00045 0.00156 -0.00574 160 2PZ 0.00008 0.00013 -0.00104 0.00478 -0.00681 161 3S 0.00000 -0.00003 -0.00046 0.00175 -0.01178 162 3PX 0.00008 0.00006 -0.00344 0.01545 -0.03102 163 3PY 0.00003 -0.00002 0.00103 -0.00318 0.01474 164 3PZ -0.00016 -0.00037 0.00269 -0.01262 0.01810 165 4S 0.00005 0.00008 0.00149 -0.00573 0.00112 166 4PX 0.00005 0.00007 -0.00068 0.00341 -0.01482 167 4PY 0.00002 -0.00001 0.00030 -0.00078 0.00582 168 4PZ -0.00010 -0.00018 0.00134 -0.00644 0.01196 169 5XX 0.00000 0.00000 -0.00009 0.00043 0.00091 170 5YY 0.00000 0.00000 -0.00004 0.00015 -0.00079 171 5ZZ 0.00000 -0.00001 0.00004 -0.00017 0.00009 172 5XY 0.00000 0.00000 0.00010 -0.00039 -0.00038 173 5XZ -0.00001 -0.00002 0.00002 -0.00005 -0.00122 174 5YZ 0.00000 0.00001 -0.00004 0.00021 0.00065 121 122 123 124 125 121 2PY 2.12359 122 2PZ -0.00090 2.10884 123 3S 0.00231 0.04350 1.20758 124 3PX 0.01274 -0.00067 0.00399 0.92071 125 3PY -0.35253 0.00240 -0.00588 -0.03220 1.05567 126 3PZ 0.00239 -0.31315 -0.11036 0.00188 -0.00621 127 4S 0.00098 0.02013 0.51837 0.00571 -0.00275 128 4PX 0.01138 -0.00140 0.00268 0.39241 -0.03459 129 4PY -0.22989 0.00252 -0.00315 -0.03476 0.53854 130 4PZ 0.00261 -0.18629 -0.06225 0.00337 -0.00696 131 5XX 0.00006 0.00126 -0.00222 -0.00256 -0.00012 132 5YY -0.00066 0.00654 -0.02139 0.00083 0.00178 133 5ZZ 0.00021 -0.01470 -0.01082 0.00080 -0.00051 134 5XY 0.00027 -0.00149 0.00536 0.00238 -0.00073 135 5XZ -0.00148 0.00028 -0.00019 0.04679 0.00388 136 5YZ -0.01169 -0.00075 0.00081 0.00386 0.03087 137 7 Cl 1S -0.00092 0.00037 -0.00044 0.00190 0.00236 138 2S 0.00406 -0.00154 0.00163 -0.00783 -0.01092 139 2PX 0.00787 -0.00564 0.01080 -0.01466 -0.02102 140 2PY 0.00488 -0.00477 0.01044 -0.02143 -0.01309 141 2PZ -0.00492 0.00233 -0.01147 0.01617 0.01375 142 3S -0.00943 0.00437 -0.00251 0.01987 0.02274 143 3PX -0.02079 0.01457 -0.02640 0.03778 0.05557 144 3PY -0.01290 0.01214 -0.02564 0.05541 0.03547 145 3PZ 0.01330 -0.00638 0.02888 -0.04186 -0.03797 146 4S -0.00920 -0.00292 0.00728 -0.00313 0.03394 147 4PX -0.01396 0.00957 -0.00841 0.02006 0.03863 148 4PY -0.00879 0.00336 -0.00710 0.02243 0.02326 149 4PZ 0.00796 -0.00389 0.01568 -0.02984 -0.02046 150 5XX 0.00100 -0.00059 0.00012 -0.00049 -0.00297 151 5YY -0.00041 -0.00009 -0.00125 0.00049 0.00064 152 5ZZ 0.00036 0.00010 0.00094 -0.00101 -0.00140 153 5XY 0.00064 -0.00047 -0.00132 -0.00132 -0.00149 154 5XZ -0.00092 0.00047 -0.00002 0.00162 0.00253 155 5YZ -0.00063 0.00045 0.00080 0.00179 0.00156 156 8 Cl 1S 0.00055 0.00028 -0.00046 0.00272 -0.00142 157 2S -0.00263 -0.00115 0.00167 -0.01174 0.00693 158 2PX -0.00553 -0.00635 0.01446 -0.03154 0.01489 159 2PY -0.00067 0.00209 -0.00599 0.01538 0.00166 160 2PZ 0.00207 0.00159 -0.01054 0.01838 -0.00614 161 3S 0.00536 0.00352 -0.00245 0.02781 -0.01325 162 3PX 0.01470 0.01627 -0.03540 0.08221 -0.04023 163 3PY 0.00155 -0.00525 0.01484 -0.04031 -0.00323 164 3PZ -0.00578 -0.00442 0.02660 -0.04856 0.01810 165 4S 0.01042 -0.00409 0.00729 0.01149 -0.03110 166 4PX 0.01241 0.00851 -0.01090 0.04541 -0.03158 167 4PY -0.00041 0.00083 0.00443 -0.01625 -0.00025 168 4PZ -0.00289 -0.00317 0.01500 -0.03330 0.00606 169 5XX -0.00102 -0.00071 -0.00102 -0.00266 0.00271 170 5YY 0.00022 0.00004 -0.00024 0.00129 -0.00042 171 5ZZ -0.00024 0.00018 0.00107 -0.00116 0.00071 172 5XY -0.00026 0.00016 0.00150 0.00047 0.00055 173 5XZ 0.00069 0.00048 0.00011 0.00323 -0.00192 174 5YZ -0.00004 -0.00018 -0.00056 -0.00132 0.00013 126 127 128 129 130 126 3PZ 0.95175 127 4S -0.05764 0.24780 128 4PX 0.00355 0.00268 0.17402 129 4PY -0.00676 -0.00111 -0.02475 0.27823 130 4PZ 0.42588 -0.02415 0.00269 -0.00507 0.19519 131 5XX -0.00246 0.00028 -0.00108 0.00000 -0.00096 132 5YY -0.01644 -0.00758 0.00025 0.00095 -0.00704 133 5ZZ 0.04003 -0.00396 0.00047 -0.00042 0.01737 134 5XY 0.00392 0.00225 0.00103 -0.00042 0.00172 135 5XZ -0.00077 0.00012 0.01926 0.00097 -0.00024 136 5YZ 0.00200 0.00034 0.00099 0.01534 0.00075 137 7 Cl 1S -0.00087 0.00145 -0.00044 0.00077 -0.00010 138 2S 0.00345 -0.00562 0.00173 -0.00401 0.00018 139 2PX 0.01523 0.01705 -0.01199 -0.01551 0.01281 140 2PY 0.01269 -0.00354 -0.00822 -0.00901 0.00390 141 2PZ -0.00676 -0.01656 0.01468 0.00657 -0.00578 142 3S -0.01092 0.00517 0.00328 0.01197 -0.00225 143 3PX -0.03953 -0.05545 0.03760 0.04213 -0.03568 144 3PY -0.03304 0.00983 0.02142 0.02070 -0.00924 145 3PZ 0.01939 0.04753 -0.04140 -0.01609 0.01255 146 4S 0.00928 0.00268 -0.00363 0.01479 0.00425 147 4PX -0.02546 -0.02516 0.01849 0.02604 -0.02006 148 4PY -0.00813 0.00556 0.00820 0.01169 -0.00121 149 4PZ 0.00824 0.02456 -0.02453 -0.00816 0.00585 150 5XX 0.00108 -0.00099 0.00018 -0.00133 0.00009 151 5YY -0.00033 0.00100 -0.00004 0.00053 0.00019 152 5ZZ -0.00056 0.00025 -0.00046 -0.00084 -0.00024 153 5XY 0.00087 -0.00195 0.00017 -0.00014 -0.00028 154 5XZ -0.00133 0.00031 0.00038 0.00136 -0.00062 155 5YZ -0.00114 0.00158 -0.00013 0.00086 -0.00044 156 8 Cl 1S -0.00065 0.00159 0.00002 -0.00086 0.00002 157 2S 0.00238 -0.00612 -0.00047 0.00427 -0.00039 158 2PX 0.01708 0.01382 -0.02142 0.01130 0.01159 159 2PY -0.00551 0.00864 0.00437 -0.00024 0.00148 160 2PZ -0.00471 -0.01726 0.01542 -0.00009 -0.00527 161 3S -0.00892 0.00547 0.00818 -0.00961 -0.00094 162 3PX -0.04424 -0.04587 0.06130 -0.02747 -0.03194 163 3PY 0.01447 -0.02725 -0.00784 -0.00159 -0.00564 164 3PZ 0.01383 0.04968 -0.04286 -0.00203 0.01154 165 4S 0.01366 0.00258 0.00304 -0.01456 0.00612 166 4PX -0.02218 -0.02043 0.03163 -0.01892 -0.01590 167 4PY -0.00308 -0.01292 -0.00185 -0.00118 -0.00680 168 4PZ 0.00657 0.02563 -0.02514 -0.00265 0.00583 169 5XX 0.00109 -0.00194 -0.00026 0.00114 -0.00018 170 5YY -0.00052 0.00167 0.00001 -0.00019 0.00040 171 5ZZ -0.00085 0.00052 -0.00077 0.00042 -0.00037 172 5XY -0.00016 0.00046 -0.00025 0.00049 -0.00001 173 5XZ -0.00135 0.00086 0.00099 -0.00143 -0.00057 174 5YZ 0.00042 -0.00147 0.00008 0.00041 0.00002 131 132 133 134 135 131 5XX 0.00095 132 5YY 0.00062 0.00139 133 5ZZ 0.00028 -0.00010 0.00274 134 5XY -0.00003 -0.00010 0.00012 0.00028 135 5XZ -0.00011 0.00007 -0.00001 0.00011 0.00272 136 5YZ -0.00004 0.00000 0.00009 0.00001 0.00039 137 7 Cl 1S -0.00007 0.00003 -0.00009 0.00001 0.00009 138 2S 0.00031 -0.00010 0.00038 0.00000 -0.00042 139 2PX -0.00003 -0.00161 0.00074 -0.00188 0.00084 140 2PY -0.00114 0.00020 0.00108 -0.00149 0.00052 141 2PZ 0.00145 0.00074 -0.00096 0.00206 0.00020 142 3S -0.00035 0.00064 -0.00066 -0.00043 0.00158 143 3PX 0.00066 0.00460 -0.00175 0.00485 -0.00177 144 3PY 0.00231 -0.00060 -0.00312 0.00383 -0.00097 145 3PZ -0.00364 -0.00207 0.00219 -0.00543 -0.00062 146 4S -0.00045 0.00005 0.00065 -0.00115 0.00056 147 4PX 0.00032 0.00245 -0.00124 0.00231 -0.00056 148 4PY 0.00080 -0.00041 -0.00095 0.00110 -0.00006 149 4PZ -0.00168 -0.00115 0.00095 -0.00298 -0.00073 150 5XX -0.00006 0.00005 0.00010 0.00002 0.00000 151 5YY 0.00016 -0.00015 -0.00009 0.00023 -0.00027 152 5ZZ -0.00004 0.00002 -0.00002 -0.00009 0.00006 153 5XY 0.00004 0.00006 0.00008 0.00022 -0.00032 154 5XZ -0.00005 0.00001 -0.00001 -0.00007 0.00010 155 5YZ -0.00018 -0.00003 0.00005 -0.00017 0.00014 156 8 Cl 1S -0.00005 -0.00002 -0.00008 -0.00003 0.00014 157 2S 0.00029 0.00006 0.00032 0.00010 -0.00063 158 2PX -0.00229 0.00018 0.00140 0.00205 0.00126 159 2PY 0.00131 -0.00096 -0.00072 0.00038 0.00000 160 2PZ 0.00250 -0.00033 -0.00091 -0.00099 0.00027 161 3S -0.00057 0.00062 -0.00047 0.00009 0.00201 162 3PX 0.00617 -0.00011 -0.00357 -0.00529 -0.00268 163 3PY -0.00266 0.00281 0.00222 -0.00076 -0.00017 164 3PZ -0.00654 0.00078 0.00204 0.00272 -0.00075 165 4S -0.00123 0.00039 0.00109 0.00074 0.00137 166 4PX 0.00264 0.00019 -0.00171 -0.00238 -0.00061 167 4PY -0.00058 0.00121 0.00029 -0.00079 -0.00051 168 4PZ -0.00343 0.00048 0.00098 0.00165 -0.00072 169 5XX 0.00018 -0.00006 0.00006 -0.00020 -0.00037 170 5YY 0.00011 -0.00015 -0.00011 0.00007 -0.00001 171 5ZZ -0.00013 0.00007 -0.00001 0.00004 0.00007 172 5XY -0.00028 0.00017 0.00006 0.00012 0.00037 173 5XZ -0.00016 0.00003 0.00003 0.00004 0.00013 174 5YZ 0.00018 0.00000 -0.00004 -0.00005 -0.00007 136 137 138 139 140 136 5YZ 0.00109 137 7 Cl 1S 0.00010 2.16060 138 2S -0.00052 -0.61775 2.38944 139 2PX 0.00154 0.00127 -0.00578 2.11697 140 2PY 0.00050 0.00380 -0.01748 -0.00687 2.09812 141 2PZ -0.00034 -0.00002 0.00013 0.00009 0.00002 142 3S 0.00137 0.04673 -0.44156 0.01307 0.03971 143 3PX -0.00377 -0.00351 0.01644 -0.33369 0.01897 144 3PY -0.00122 -0.01040 0.04779 0.01889 -0.28168 145 3PZ 0.00091 0.00005 -0.00031 -0.00031 -0.00004 146 4S 0.00232 0.07176 -0.29732 0.02044 0.05927 147 4PX -0.00144 -0.00105 0.00625 -0.21756 0.02418 148 4PY 0.00026 -0.00508 0.02574 0.02559 -0.14615 149 4PZ 0.00045 0.00008 -0.00041 -0.00009 -0.00088 150 5XX -0.00015 0.02233 -0.02450 -0.00507 0.00507 151 5YY -0.00014 0.02378 -0.03126 0.00141 -0.01623 152 5ZZ 0.00001 0.02225 -0.02413 0.00192 0.00494 153 5XY -0.00028 0.00062 -0.00285 -0.01167 -0.00441 154 5XZ 0.00009 -0.00001 0.00007 0.00003 0.00005 155 5YZ 0.00010 -0.00002 0.00008 0.00005 0.00009 156 8 Cl 1S -0.00006 -0.00001 0.00002 -0.00063 0.00131 157 2S 0.00033 0.00002 0.00000 0.00311 -0.00549 158 2PX -0.00087 -0.00001 0.00049 -0.00182 -0.00397 159 2PY -0.00015 -0.00146 0.00632 -0.00501 0.01743 160 2PZ 0.00030 0.00005 -0.00016 0.00054 -0.00125 161 3S -0.00071 -0.00004 0.00001 -0.00587 0.01429 162 3PX 0.00224 0.00014 -0.00185 0.00426 0.01012 163 3PY 0.00030 0.00364 -0.01633 0.01311 -0.04567 164 3PZ -0.00087 -0.00010 0.00034 -0.00139 0.00322 165 4S -0.00180 0.00103 -0.00476 -0.02043 0.00227 166 4PX 0.00060 0.00066 -0.00386 0.00156 -0.00225 167 4PY 0.00049 0.00073 -0.00404 0.01481 -0.02598 168 4PZ -0.00068 0.00002 -0.00018 -0.00181 0.00132 169 5XX 0.00021 0.00005 -0.00021 0.00002 0.00118 170 5YY -0.00003 -0.00004 0.00035 0.00197 -0.00247 171 5ZZ 0.00001 0.00008 -0.00026 0.00015 0.00039 172 5XY -0.00004 0.00009 -0.00042 0.00008 0.00007 173 5XZ -0.00004 -0.00001 0.00004 0.00001 0.00009 174 5YZ 0.00002 0.00002 -0.00008 -0.00018 0.00015 141 142 143 144 145 141 2PZ 2.11799 142 3S -0.00007 1.20419 143 3PX -0.00031 -0.03342 1.00304 144 3PY -0.00003 -0.10497 -0.05093 0.86116 145 3PZ -0.33574 0.00030 0.00117 0.00000 1.00461 146 4S -0.00089 0.50875 -0.06051 -0.15256 0.00171 147 4PX -0.00010 -0.02001 0.50279 -0.06113 -0.00028 148 4PY -0.00098 -0.06922 -0.06745 0.32672 0.00238 149 4PZ -0.22752 0.00056 -0.00016 0.00233 0.53380 150 5XX -0.00002 -0.01823 0.01415 -0.01300 0.00008 151 5YY 0.00003 -0.00490 -0.00199 0.04632 -0.00008 152 5ZZ 0.00015 -0.01889 -0.00436 -0.01301 -0.00033 153 5XY 0.00005 0.00547 0.03082 0.01294 -0.00018 154 5XZ -0.00370 -0.00015 -0.00010 -0.00015 0.00978 155 5YZ -0.01179 -0.00021 -0.00016 -0.00027 0.03104 156 8 Cl 1S -0.00011 -0.00004 0.00166 -0.00322 0.00027 157 2S 0.00049 0.00001 -0.00858 0.01393 -0.00131 158 2PX 0.00047 0.00074 0.00423 0.01018 -0.00119 159 2PY -0.00117 -0.01552 0.01316 -0.04564 0.00302 160 2PZ -0.00560 0.00060 -0.00140 0.00319 0.01377 161 3S -0.00104 0.00046 0.01406 -0.03401 0.00246 162 3PX -0.00120 -0.00170 -0.00769 -0.02601 0.00306 163 3PY 0.00305 0.03697 -0.03392 0.12076 -0.00779 164 3PZ 0.01377 -0.00145 0.00358 -0.00821 -0.03176 165 4S -0.00212 0.01106 0.06030 -0.01505 0.00665 166 4PX -0.00119 0.00688 -0.00983 0.00409 0.00303 167 4PY 0.00261 0.01321 -0.04127 0.06814 -0.00727 168 4PZ 0.01546 0.00017 0.00475 -0.00371 -0.04493 169 5XX -0.00002 0.00046 -0.00052 -0.00230 0.00000 170 5YY 0.00032 -0.00142 -0.00530 0.00613 -0.00082 171 5ZZ -0.00010 0.00064 -0.00085 -0.00063 0.00014 172 5XY -0.00010 0.00150 -0.00027 0.00029 0.00019 173 5XZ -0.00010 -0.00011 -0.00002 -0.00023 -0.00001 174 5YZ 0.00117 0.00025 0.00042 -0.00033 -0.00273 146 147 148 149 150 146 4S 0.24399 147 4PX -0.02703 0.25577 148 4PY -0.06471 -0.04728 0.12918 149 4PZ 0.00067 -0.00063 0.00214 0.28588 150 5XX -0.00503 0.00766 -0.00508 -0.00002 0.00126 151 5YY -0.00672 -0.00275 0.01717 0.00010 -0.00016 152 5ZZ -0.00420 -0.00150 -0.00409 -0.00021 0.00102 153 5XY -0.00106 0.01459 0.00311 -0.00008 0.00014 154 5XZ -0.00006 -0.00005 -0.00004 0.00519 0.00000 155 5YZ 0.00002 -0.00011 -0.00001 0.01635 0.00001 156 8 Cl 1S 0.00102 0.00090 -0.00038 0.00008 0.00009 157 2S -0.00474 -0.00517 0.00199 -0.00051 -0.00039 158 2PX -0.01747 0.00152 -0.00208 -0.00120 0.00062 159 2PY -0.01085 0.01501 -0.02593 0.00272 -0.00035 160 2PZ -0.00146 -0.00188 0.00140 0.01546 0.00001 161 3S 0.01107 0.01175 -0.00890 0.00139 0.00111 162 3PX 0.04804 -0.01029 0.00491 0.00306 -0.00165 163 3PY 0.03966 -0.04052 0.06862 -0.00746 -0.00011 164 3PZ 0.00384 0.00476 -0.00386 -0.04494 0.00000 165 4S 0.00314 0.03009 -0.00678 0.00341 0.00172 166 4PX 0.02425 -0.00983 0.00949 0.00234 -0.00090 167 4PY 0.01915 -0.03169 0.03820 -0.00537 -0.00083 168 4PZ 0.00207 0.00385 -0.00194 -0.03850 0.00006 169 5XX 0.00251 -0.00054 -0.00020 0.00003 -0.00005 170 5YY -0.00273 -0.00227 0.00170 -0.00027 -0.00024 171 5ZZ 0.00025 -0.00057 -0.00012 -0.00010 0.00004 172 5XY 0.00021 -0.00049 0.00036 -0.00003 0.00013 173 5XZ 0.00023 0.00005 -0.00008 -0.00071 -0.00001 174 5YZ 0.00012 0.00009 -0.00006 -0.00075 0.00003 151 152 153 154 155 151 5YY 0.00334 152 5ZZ -0.00019 0.00114 153 5XY 0.00076 -0.00050 0.00136 154 5XZ 0.00000 0.00000 -0.00001 0.00013 155 5YZ -0.00002 0.00000 -0.00001 0.00034 0.00103 156 8 Cl 1S -0.00009 0.00009 -0.00002 0.00000 0.00000 157 2S 0.00053 -0.00026 0.00002 0.00000 -0.00001 158 2PX 0.00064 0.00029 -0.00016 0.00002 0.00009 159 2PY 0.00235 -0.00028 -0.00182 0.00007 -0.00031 160 2PZ -0.00011 0.00016 0.00016 0.00041 -0.00110 161 3S -0.00210 0.00066 -0.00012 0.00003 0.00006 162 3PX -0.00201 -0.00099 0.00042 -0.00004 -0.00020 163 3PY -0.00581 0.00018 0.00454 -0.00023 0.00075 164 3PZ 0.00021 -0.00041 -0.00040 -0.00116 0.00247 165 4S -0.00191 0.00022 0.00221 0.00007 0.00029 166 4PX -0.00100 -0.00056 0.00053 -0.00001 0.00000 167 4PY -0.00170 -0.00015 0.00144 -0.00015 0.00022 168 4PZ 0.00002 -0.00021 -0.00009 -0.00096 0.00037 169 5XX -0.00018 -0.00002 0.00003 0.00000 -0.00001 170 5YY 0.00079 -0.00014 -0.00019 0.00000 -0.00007 171 5ZZ -0.00020 0.00006 -0.00003 0.00000 0.00004 172 5XY -0.00042 0.00013 0.00002 0.00000 0.00004 173 5XZ 0.00002 -0.00002 0.00000 -0.00001 0.00011 174 5YZ -0.00009 0.00003 0.00002 -0.00002 -0.00019 156 157 158 159 160 156 8 Cl 1S 2.16061 157 2S -0.61775 2.38944 158 2PX 0.00275 -0.01264 2.10832 159 2PY -0.00289 0.01334 0.01157 2.10695 160 2PZ 0.00035 -0.00156 -0.00134 0.00145 2.11780 161 3S 0.04675 -0.44162 0.02858 -0.03031 0.00375 162 3PX -0.00758 0.03513 -0.30985 -0.03195 0.00363 163 3PY 0.00791 -0.03619 -0.03188 -0.30604 -0.00396 164 3PZ -0.00095 0.00428 0.00361 -0.00395 -0.33526 165 4S 0.07172 -0.29715 0.04381 -0.04500 0.00486 166 4PX -0.00312 0.01664 -0.18551 -0.04242 0.00489 167 4PY 0.00414 -0.02058 -0.04382 -0.17844 -0.00530 168 4PZ -0.00042 0.00212 0.00509 -0.00536 -0.22683 169 5XX 0.02300 -0.02762 -0.01127 -0.00340 0.00045 170 5YY 0.02310 -0.02811 0.00324 0.01193 0.00046 171 5ZZ 0.02226 -0.02420 0.00383 -0.00363 -0.00136 172 5XY -0.00103 0.00480 0.00933 -0.00914 0.00004 173 5XZ 0.00011 -0.00050 -0.00110 0.00004 -0.00834 174 5YZ -0.00012 0.00054 0.00002 -0.00110 0.00909 161 162 163 164 165 161 3S 1.20436 162 3PX -0.07456 0.93857 163 3PY 0.08063 0.08664 0.92708 164 3PZ -0.00983 -0.00948 0.01065 1.00335 165 4S 0.50862 -0.11986 0.11239 -0.01288 0.24414 166 4PX -0.04742 0.42158 0.10502 -0.01279 -0.05197 167 4PY 0.05394 0.11132 0.40862 0.01339 0.04697 168 4PZ -0.00617 -0.01336 0.01336 0.53209 -0.00547 169 5XX -0.01218 0.03139 0.00776 -0.00104 -0.00604 170 5YY -0.01104 -0.00628 -0.03266 -0.00099 -0.00572 171 5ZZ -0.01878 -0.00942 0.00985 0.00362 -0.00420 172 5XY -0.00937 -0.02597 0.02591 -0.00028 0.00144 173 5XZ 0.00093 0.00305 -0.00031 0.02202 -0.00025 174 5YZ -0.00105 -0.00025 0.00313 -0.02394 0.00018 166 167 168 169 170 166 4PX 0.19655 167 4PY 0.07834 0.18877 168 4PZ -0.00989 0.00976 0.28457 169 5XX 0.01444 0.00564 -0.00077 0.00184 170 5YY -0.00485 -0.01450 -0.00074 0.00024 0.00197 171 5ZZ -0.00312 0.00308 0.00213 0.00047 0.00036 172 5XY -0.00928 0.00872 0.00038 -0.00068 -0.00080 173 5XZ 0.00107 0.00037 0.01157 0.00008 -0.00003 174 5YZ 0.00036 0.00104 -0.01253 0.00004 -0.00009 171 172 173 174 171 5ZZ 0.00114 172 5XY 0.00084 0.00186 173 5XZ 0.00002 -0.00015 0.00057 174 5YZ -0.00002 0.00016 -0.00057 0.00062 Full Mulliken population analysis: 1 2 3 4 5 1 1 Al 1S 2.12843 2 2S -0.13049 2.19003 3 2PX 0.00000 0.00000 1.99906 4 2PY 0.00000 0.00000 0.00000 2.00897 5 2PZ 0.00000 0.00000 0.00000 0.00000 1.99280 6 3S -0.00020 -0.02530 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 -0.00146 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 -0.00784 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00222 10 4S 0.00022 -0.00269 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 -0.00132 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 -0.00052 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00122 14 5XX 0.00004 -0.00359 0.00000 0.00000 0.00000 15 5YY 0.00005 -0.00525 0.00000 0.00000 0.00000 16 5ZZ 0.00004 -0.00266 0.00000 0.00000 0.00000 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00000 0.00000 0.00000 0.00000 21 2S 0.00000 0.00000 0.00000 0.00000 0.00000 22 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 23 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S 0.00000 0.00001 0.00000 0.00000 0.00000 26 3PX 0.00000 0.00001 -0.00005 0.00000 0.00000 27 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 29 4S 0.00000 0.00000 0.00014 0.00001 0.00000 30 4PX -0.00001 0.00006 0.00007 0.00001 0.00000 31 4PY 0.00000 -0.00001 0.00001 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX 0.00000 0.00000 -0.00001 0.00000 0.00000 34 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 35 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00000 0.00000 0.00000 0.00000 0.00000 41 3S 0.00000 0.00000 0.00000 0.00000 0.00000 42 4S 0.00000 0.00000 0.00000 0.00000 0.00000 43 5S 0.00000 0.00001 -0.00001 0.00000 -0.00002 44 6S 0.00002 -0.00036 -0.00009 0.00000 0.00000 45 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 46 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 47 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 9PX 0.00000 -0.00009 -0.00008 0.00000 -0.00013 52 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 53 9PZ 0.00000 -0.00008 -0.00012 0.00000 -0.00009 54 10PX 0.00006 -0.00230 -0.00055 -0.00004 -0.00131 55 10PY 0.00000 -0.00008 -0.00004 -0.00012 -0.00004 56 10PZ 0.00006 -0.00224 -0.00121 -0.00003 -0.00075 57 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 58 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 59 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 61 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 12XX 0.00000 0.00002 0.00002 0.00000 -0.00007 64 12YY 0.00000 0.00001 0.00000 0.00000 0.00000 65 12ZZ 0.00000 -0.00003 -0.00009 0.00000 -0.00005 66 12XY 0.00000 0.00000 0.00000 -0.00001 0.00000 67 12XZ 0.00000 -0.00020 -0.00006 0.00000 -0.00010 68 12YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 3S 0.00000 0.00000 0.00000 0.00000 0.00000 72 4S 0.00000 0.00000 0.00000 0.00000 0.00000 73 5S 0.00000 -0.00003 -0.00008 -0.00009 0.00000 74 6S 0.00000 0.00045 0.00015 0.00010 0.00000 75 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9PX 0.00000 -0.00041 -0.00015 -0.00050 0.00000 82 9PY 0.00000 -0.00045 -0.00048 -0.00028 0.00000 83 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 84 10PX 0.00011 -0.00463 -0.00043 -0.00230 0.00000 85 10PY 0.00014 -0.00503 -0.00220 -0.00084 0.00000 86 10PZ 0.00000 -0.00001 0.00000 0.00000 -0.00061 87 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 88 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 89 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX 0.00000 -0.00018 -0.00004 -0.00022 0.00000 94 12YY 0.00000 -0.00024 -0.00026 -0.00006 0.00000 95 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 12XY 0.00001 -0.00045 -0.00013 -0.00015 0.00000 97 12XZ 0.00000 0.00000 0.00000 0.00000 -0.00003 98 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 -0.00007 -0.00002 -0.00033 0.00000 105 3PX 0.00000 -0.00014 -0.00003 -0.00025 0.00000 106 3PY 0.00002 -0.00171 -0.00023 -0.00232 -0.00002 107 3PZ 0.00000 -0.00001 0.00000 -0.00002 -0.00011 108 4S 0.00000 0.00030 -0.00001 -0.00017 0.00000 109 4PX 0.00001 -0.00060 -0.00027 -0.00049 0.00000 110 4PY 0.00020 -0.00678 -0.00045 -0.00354 -0.00004 111 4PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00059 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00000 -0.00005 -0.00001 -0.00004 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 -0.00001 0.00000 -0.00002 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 -0.00003 0.00000 -0.00005 124 3PX 0.00000 -0.00023 -0.00018 -0.00002 -0.00029 125 3PY 0.00000 -0.00002 -0.00002 -0.00001 -0.00002 126 3PZ 0.00000 -0.00020 -0.00027 -0.00002 -0.00018 127 4S 0.00001 -0.00023 -0.00012 -0.00001 -0.00021 128 4PX 0.00005 -0.00177 -0.00043 -0.00008 -0.00106 129 4PY 0.00000 -0.00016 -0.00009 -0.00009 -0.00009 130 4PZ 0.00006 -0.00184 -0.00106 -0.00009 -0.00059 131 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.62379 7 3PX 0.00000 0.18257 8 3PY 0.00000 0.00000 0.24970 9 3PZ 0.00000 0.00000 0.00000 0.13216 10 4S -0.02698 0.00000 0.00000 0.00000 0.03918 11 4PX 0.00000 0.01159 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 -0.00397 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.01055 0.00000 14 5XX -0.01581 0.00000 0.00000 0.00000 -0.00375 15 5YY 0.00418 0.00000 0.00000 0.00000 0.00539 16 5ZZ -0.03358 0.00000 0.00000 0.00000 0.00070 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00000 0.00000 0.00000 0.00000 21 2S 0.00001 0.00001 0.00000 0.00000 0.00000 22 2PX 0.00000 -0.00005 0.00000 0.00000 0.00015 23 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 24 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 25 3S -0.00135 0.00012 0.00000 0.00000 0.00442 26 3PX 0.00023 0.00473 0.00028 -0.00002 -0.00451 27 3PY 0.00002 0.00033 0.00001 0.00000 -0.00028 28 3PZ 0.00000 0.00002 0.00000 -0.00069 0.00001 29 4S 0.00476 -0.00392 -0.00014 -0.00001 -0.00772 30 4PX 0.00547 -0.00159 0.00009 -0.00002 -0.01070 31 4PY 0.00047 -0.00008 0.00097 0.00000 -0.00045 32 4PZ 0.00000 0.00000 0.00000 -0.00033 0.00001 33 5XX 0.00065 0.00215 0.00018 0.00000 0.00026 34 5YY 0.00006 -0.00007 0.00000 0.00000 -0.00039 35 5ZZ -0.00015 -0.00037 -0.00002 0.00000 -0.00011 36 5XY 0.00004 0.00028 0.00004 0.00000 0.00004 37 5XZ 0.00001 0.00001 0.00000 -0.00013 0.00000 38 5YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 39 3 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00004 40 2S 0.00000 0.00011 0.00000 0.00007 0.00118 41 3S 0.00004 -0.00028 -0.00001 -0.00025 -0.00217 42 4S 0.00020 -0.00087 -0.00002 -0.00078 -0.00598 43 5S -0.00220 0.00316 0.00009 0.00354 0.00059 44 6S -0.00306 -0.00813 -0.00035 -0.00535 -0.00875 45 7PX 0.00001 0.00001 0.00000 0.00002 -0.00002 46 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 47 7PZ 0.00001 0.00001 0.00000 0.00001 0.00000 48 8PX -0.00055 -0.00048 -0.00003 -0.00099 0.00028 49 8PY -0.00002 -0.00003 -0.00008 -0.00003 0.00001 50 8PZ -0.00046 -0.00094 -0.00003 -0.00056 0.00006 51 9PX 0.00963 0.00705 0.00049 0.01653 -0.00065 52 9PY 0.00032 0.00052 0.00169 0.00048 -0.00004 53 9PZ 0.00894 0.01584 0.00043 0.00862 -0.00044 54 10PX 0.02447 0.00702 0.00076 0.02616 -0.00381 55 10PY 0.00086 0.00082 0.00408 0.00074 -0.00013 56 10PZ 0.02030 0.02343 0.00059 0.00963 -0.00192 57 11XX -0.00007 0.00034 0.00001 0.00016 0.00223 58 11YY 0.00009 0.00036 0.00001 0.00030 0.00235 59 11ZZ -0.00011 0.00006 0.00000 0.00015 0.00235 60 11XY 0.00000 0.00000 -0.00001 0.00000 0.00000 61 11XZ -0.00006 -0.00004 0.00000 -0.00006 -0.00002 62 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 63 12XX 0.00026 0.00041 0.00008 0.00222 0.00404 64 12YY -0.00075 0.00069 0.00000 0.00059 0.00349 65 12ZZ 0.00172 0.00495 0.00014 0.00178 0.00380 66 12XY 0.00003 0.00000 0.00031 0.00001 0.00000 67 12XZ 0.00330 0.00082 0.00007 0.00128 -0.00009 68 12YZ 0.00009 0.00007 0.00042 0.00003 0.00000 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00007 70 2S -0.00012 0.00018 0.00019 0.00000 0.00242 71 3S 0.00021 -0.00054 -0.00059 0.00000 -0.00432 72 4S 0.00081 -0.00169 -0.00186 0.00000 -0.01185 73 5S 0.00045 0.00740 0.00881 0.00001 -0.00175 74 6S -0.02196 -0.01447 -0.01804 -0.00003 -0.01177 75 7PX 0.00002 0.00001 0.00004 0.00000 -0.00001 76 7PY 0.00002 0.00003 0.00002 0.00000 -0.00001 77 7PZ 0.00000 0.00000 0.00000 0.00001 0.00000 78 8PX -0.00123 -0.00050 -0.00222 0.00000 -0.00012 79 8PY -0.00160 -0.00206 -0.00099 0.00000 0.00032 80 8PZ 0.00000 0.00000 0.00000 -0.00044 0.00000 81 9PX 0.02071 0.00624 0.03267 0.00003 0.00489 82 9PY 0.02816 0.03019 0.01286 0.00005 -0.00497 83 9PZ 0.00004 0.00004 0.00005 0.00794 0.00000 84 10PX 0.03733 0.00297 0.04156 0.00004 0.01023 85 10PY 0.05126 0.03817 0.00812 0.00007 -0.01248 86 10PZ 0.00007 0.00004 0.00007 0.01961 0.00000 87 11XX -0.00033 0.00049 0.00023 0.00000 0.00413 88 11YY -0.00057 0.00022 0.00050 0.00000 0.00519 89 11ZZ 0.00009 0.00061 0.00068 0.00000 0.00456 90 11XY -0.00017 -0.00007 -0.00010 0.00000 -0.00002 91 11XZ 0.00000 0.00000 0.00000 -0.00002 0.00000 92 11YZ 0.00000 0.00000 0.00000 -0.00002 0.00000 93 12XX 0.00320 0.00153 0.00659 0.00001 0.00749 94 12YY 0.00481 0.00627 0.00223 0.00000 0.00568 95 12ZZ -0.00041 0.00123 0.00151 0.00000 0.00597 96 12XY 0.00446 0.00099 0.00147 0.00000 -0.00004 97 12XZ 0.00000 0.00000 0.00000 0.00073 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00078 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00006 0.00000 -0.00006 100 2S -0.00014 -0.00013 -0.00199 -0.00001 0.00188 101 2PX -0.00011 -0.00014 -0.00036 0.00000 -0.00003 102 2PY -0.00168 -0.00032 -0.00302 -0.00003 0.00013 103 2PZ -0.00001 0.00000 -0.00003 -0.00031 0.00000 104 3S -0.00126 0.00118 0.01781 0.00010 -0.00729 105 3PX 0.00340 0.00573 0.01077 0.00006 0.00230 106 3PY 0.06104 0.00925 0.08101 0.00079 -0.00354 107 3PZ 0.00030 0.00005 0.00078 0.01166 -0.00004 108 4S -0.01719 -0.00068 -0.01459 -0.00005 -0.00367 109 4PX 0.00316 0.00887 0.00769 0.00005 0.00357 110 4PY 0.05707 0.00674 0.04151 0.00059 -0.00438 111 4PZ 0.00028 0.00004 0.00058 0.01721 -0.00007 112 5XX -0.00065 -0.00012 -0.00069 0.00000 0.00028 113 5YY 0.00450 0.00065 0.00437 0.00005 -0.00061 114 5ZZ -0.00082 -0.00009 -0.00105 -0.00001 0.00010 115 5XY 0.00034 0.00020 0.00059 0.00000 0.00002 116 5XZ 0.00000 0.00000 0.00000 0.00004 0.00000 117 5YZ 0.00003 0.00000 0.00004 0.00043 0.00000 118 6 Cl 1S 0.00000 0.00001 0.00000 0.00001 -0.00003 119 2S 0.00010 -0.00032 -0.00002 -0.00050 0.00098 120 2PX -0.00034 -0.00032 -0.00006 -0.00063 0.00020 121 2PY -0.00003 -0.00006 -0.00005 -0.00005 0.00001 122 2PZ -0.00027 -0.00062 -0.00005 -0.00030 0.00005 123 3S -0.00311 0.00335 0.00025 0.00471 -0.00404 124 3PX 0.01267 0.00897 0.00182 0.02120 -0.00094 125 3PY 0.00108 0.00188 0.00198 0.00177 -0.00012 126 3PZ 0.01161 0.02060 0.00167 0.00895 -0.00200 127 4S -0.00368 -0.00292 -0.00029 0.00121 -0.00530 128 4PX 0.01577 0.00427 0.00154 0.01768 -0.00348 129 4PY 0.00139 0.00161 0.00272 0.00151 -0.00025 130 4PZ 0.01413 0.01744 0.00142 0.00531 -0.00324 131 5XX 0.00015 -0.00037 0.00004 0.00029 0.00002 132 5YY -0.00032 -0.00021 -0.00004 -0.00017 0.00014 133 5ZZ 0.00069 0.00143 0.00011 0.00017 -0.00018 134 5XY 0.00004 0.00002 0.00008 0.00005 0.00000 135 5XZ 0.00078 0.00030 0.00008 0.00044 -0.00001 136 5YZ 0.00006 0.00008 0.00010 0.00004 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00008 143 3PX 0.00000 -0.00001 0.00000 0.00000 -0.00046 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00023 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00005 -0.00002 0.00000 -0.00006 147 4PX -0.00001 -0.00008 -0.00007 0.00000 -0.00127 148 4PY 0.00001 0.00004 -0.00001 0.00000 0.00049 149 4PZ 0.00000 0.00000 0.00000 0.00003 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 -0.00001 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00002 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00008 162 3PX 0.00000 -0.00001 0.00000 0.00000 -0.00040 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00010 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S -0.00001 0.00005 -0.00001 0.00000 -0.00009 166 4PX -0.00001 -0.00011 -0.00002 0.00000 -0.00121 167 4PY 0.00000 0.00002 0.00000 0.00000 0.00026 168 4PZ 0.00000 0.00000 0.00000 0.00002 0.00001 169 5XX 0.00000 0.00000 0.00000 0.00000 -0.00002 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00002 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 11 4PX 0.04610 12 4PY 0.00000 0.02175 13 4PZ 0.00000 0.00000 0.02014 14 5XX 0.00000 0.00000 0.00000 0.01295 15 5YY 0.00000 0.00000 0.00000 -0.00385 0.01893 16 5ZZ 0.00000 0.00000 0.00000 0.00124 -0.00250 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S -0.00001 0.00000 0.00000 0.00000 0.00000 21 2S 0.00007 -0.00001 0.00000 0.00000 0.00000 22 2PX 0.00010 0.00000 0.00000 -0.00001 0.00000 23 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S 0.00501 0.00030 0.00000 0.00071 0.00005 26 3PX -0.00241 -0.00002 0.00000 0.00213 -0.00008 27 3PY 0.00010 0.00131 0.00000 0.00019 0.00000 28 3PZ 0.00001 0.00000 -0.00028 0.00000 0.00000 29 4S -0.01055 -0.00065 -0.00001 0.00020 -0.00036 30 4PX -0.00702 -0.00064 -0.00001 -0.00005 -0.00106 31 4PY -0.00066 0.00148 0.00000 0.00010 -0.00008 32 4PZ 0.00001 0.00000 0.00100 0.00000 0.00000 33 5XX -0.00003 0.00007 0.00000 0.00033 -0.00005 34 5YY -0.00105 -0.00008 0.00000 -0.00005 0.00000 35 5ZZ 0.00059 0.00004 0.00000 0.00000 0.00000 36 5XY 0.00009 0.00013 0.00000 0.00011 0.00000 37 5XZ 0.00000 0.00000 -0.00017 0.00000 0.00000 38 5YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 39 3 Br 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 40 2S 0.00058 0.00003 0.00076 0.00000 0.00000 41 3S -0.00096 -0.00004 -0.00134 0.00000 0.00000 42 4S -0.00245 -0.00011 -0.00359 0.00000 0.00000 43 5S -0.00084 0.00000 0.00029 0.00012 -0.00010 44 6S -0.01053 -0.00050 -0.00920 0.00056 -0.00061 45 7PX 0.00000 0.00000 -0.00001 0.00000 0.00000 46 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 47 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 8PX 0.00002 0.00001 0.00012 0.00001 0.00001 49 8PY 0.00000 -0.00025 0.00000 -0.00001 0.00000 50 8PZ 0.00009 0.00001 0.00004 -0.00012 0.00001 51 9PX 0.00007 0.00005 -0.00084 -0.00030 -0.00053 52 9PY 0.00011 0.00470 -0.00004 0.00014 0.00007 53 9PZ -0.00086 -0.00008 -0.00036 0.00287 -0.00046 54 10PX 0.00213 -0.00001 -0.00276 -0.00042 -0.00387 55 10PY 0.00013 0.01117 -0.00013 0.00034 -0.00005 56 10PZ -0.00309 -0.00020 0.00089 0.00633 -0.00313 57 11XX 0.00115 0.00002 0.00128 0.00001 0.00000 58 11YY 0.00096 0.00007 0.00141 0.00000 0.00000 59 11ZZ 0.00104 0.00005 0.00152 -0.00004 0.00000 60 11XY 0.00000 -0.00002 0.00000 0.00000 0.00000 61 11XZ 0.00000 0.00000 0.00000 0.00001 0.00000 62 11YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 63 12XX 0.00156 0.00011 0.00286 -0.00011 0.00001 64 12YY 0.00204 0.00008 0.00231 -0.00007 0.00002 65 12ZZ 0.00170 0.00008 0.00123 0.00056 -0.00017 66 12XY 0.00000 0.00001 0.00000 0.00000 0.00000 67 12XZ 0.00001 0.00000 0.00000 -0.00017 -0.00012 68 12YZ 0.00000 0.00024 0.00000 0.00001 0.00001 69 4 Br 1S -0.00003 -0.00007 0.00000 0.00000 0.00000 70 2S 0.00088 0.00241 0.00000 0.00002 0.00001 71 3S -0.00164 -0.00440 -0.00001 -0.00004 -0.00004 72 4S -0.00446 -0.01197 -0.00002 -0.00015 -0.00018 73 5S 0.00172 0.00135 0.00000 0.00045 0.00085 74 6S -0.00776 -0.01179 0.00000 0.00066 0.00081 75 7PX 0.00000 -0.00001 0.00000 0.00000 0.00001 76 7PY 0.00000 0.00000 0.00000 0.00001 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX -0.00007 -0.00022 0.00000 0.00015 -0.00043 79 8PY -0.00041 0.00003 0.00000 -0.00028 0.00017 80 8PZ 0.00000 0.00000 -0.00061 0.00000 0.00000 81 9PX 0.00216 0.00490 0.00000 -0.00243 0.00731 82 9PY 0.00731 0.00038 -0.00001 0.00469 -0.00306 83 9PZ 0.00001 -0.00001 0.01071 0.00000 0.00001 84 10PX 0.00955 0.00894 0.00000 -0.00460 0.01265 85 10PY 0.01325 0.00517 -0.00001 0.00905 -0.00531 86 10PZ 0.00001 -0.00001 0.02610 0.00001 0.00002 87 11XX 0.00220 0.00417 0.00000 0.00006 0.00003 88 11YY 0.00107 0.00485 0.00001 0.00005 0.00008 89 11ZZ 0.00165 0.00444 0.00001 0.00003 0.00003 90 11XY 0.00000 0.00000 0.00000 0.00002 0.00002 91 11XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 92 11YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 93 12XX 0.00099 0.00772 0.00001 -0.00011 0.00084 94 12YY 0.00477 0.00384 0.00001 0.00074 -0.00015 95 12ZZ 0.00249 0.00573 0.00000 0.00006 0.00003 96 12XY -0.00001 0.00000 0.00000 -0.00005 0.00007 97 12XZ 0.00000 0.00000 0.00025 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00033 0.00000 0.00000 99 5 Cl 1S 0.00000 -0.00007 0.00000 0.00000 0.00002 100 2S -0.00008 0.00205 0.00001 0.00003 -0.00073 101 2PX -0.00034 -0.00003 0.00000 -0.00002 -0.00021 102 2PY -0.00003 0.00010 0.00000 0.00005 -0.00079 103 2PZ 0.00000 0.00000 -0.00023 0.00000 -0.00001 104 3S -0.00016 -0.00743 -0.00004 -0.00072 0.00801 105 3PX 0.01651 0.00098 0.00000 0.00066 0.00602 106 3PY 0.00139 -0.00279 0.00006 -0.00371 0.01639 107 3PZ 0.00001 0.00007 0.01018 -0.00002 0.00038 108 4S -0.00051 -0.00767 -0.00006 -0.00023 0.00305 109 4PX 0.02568 0.00152 0.00001 -0.00033 0.00459 110 4PY 0.00168 -0.00147 0.00007 -0.00575 0.00866 111 4PZ 0.00001 0.00010 0.01569 -0.00003 0.00031 112 5XX -0.00014 0.00037 0.00000 0.00001 -0.00014 113 5YY 0.00023 -0.00045 0.00001 -0.00014 0.00069 114 5ZZ 0.00001 0.00023 -0.00001 0.00002 -0.00019 115 5XY 0.00014 0.00000 0.00000 0.00005 0.00027 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00010 0.00000 0.00002 118 6 Cl 1S -0.00003 0.00000 -0.00002 0.00000 0.00000 119 2S 0.00088 0.00007 0.00067 -0.00003 0.00001 120 2PX -0.00001 0.00001 0.00009 0.00000 0.00001 121 2PY 0.00001 -0.00009 0.00001 -0.00001 -0.00001 122 2PZ 0.00006 0.00001 0.00000 -0.00011 0.00001 123 3S -0.00481 -0.00036 -0.00375 0.00039 -0.00026 124 3PX 0.00044 0.00001 -0.00138 -0.00028 -0.00100 125 3PY 0.00009 0.00436 -0.00007 0.00052 0.00023 126 3PZ -0.00149 -0.00016 0.00028 0.00455 -0.00083 127 4S -0.00711 -0.00066 -0.00543 0.00072 -0.00082 128 4PX 0.00228 -0.00019 -0.00265 -0.00004 -0.00316 129 4PY -0.00005 0.00654 -0.00018 0.00074 -0.00013 130 4PZ -0.00275 -0.00025 0.00162 0.00554 -0.00246 131 5XX 0.00006 0.00001 0.00018 -0.00003 0.00001 132 5YY 0.00021 0.00001 0.00013 -0.00005 0.00001 133 5ZZ -0.00016 -0.00001 -0.00027 0.00025 -0.00003 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 -0.00005 -0.00003 136 5YZ 0.00000 0.00004 0.00000 0.00001 0.00001 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00002 -0.00003 0.00000 0.00000 0.00000 139 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00011 0.00010 0.00000 0.00000 0.00000 143 3PX -0.00081 -0.00006 0.00000 0.00000 0.00000 144 3PY 0.00019 0.00004 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S -0.00001 -0.00016 0.00000 0.00000 0.00000 147 4PX -0.00162 -0.00025 0.00000 -0.00002 0.00000 148 4PY 0.00035 0.00000 0.00000 0.00000 0.00000 149 4PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 150 5XX -0.00002 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00002 0.00001 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY -0.00001 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00004 -0.00001 0.00000 0.00000 0.00000 158 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00018 0.00002 0.00000 0.00000 0.00000 162 3PX -0.00093 0.00008 0.00000 0.00000 0.00000 163 3PY 0.00017 0.00003 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S -0.00003 -0.00004 0.00000 0.00000 0.00000 166 4PX -0.00203 0.00012 -0.00001 -0.00005 0.00000 167 4PY 0.00031 0.00010 0.00000 0.00000 0.00000 168 4PZ 0.00001 0.00000 -0.00002 0.00000 0.00000 169 5XX -0.00003 0.00001 0.00000 0.00000 0.00000 170 5YY 0.00003 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 5ZZ 0.01109 17 5XY 0.00000 0.01775 18 5XZ 0.00000 0.00000 0.01424 19 5YZ 0.00000 0.00000 0.00000 0.01076 20 2 Al 1S 0.00000 0.00000 0.00000 0.00000 2.12836 21 2S 0.00000 0.00000 0.00000 0.00000 -0.13039 22 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 23 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S -0.00016 0.00004 0.00000 0.00000 -0.00021 26 3PX -0.00036 0.00027 -0.00001 0.00000 0.00000 27 3PY -0.00002 0.00003 0.00000 0.00000 0.00000 28 3PZ 0.00000 0.00000 -0.00013 -0.00001 0.00000 29 4S -0.00015 0.00003 0.00000 0.00000 0.00021 30 4PX 0.00059 0.00008 0.00000 0.00000 0.00000 31 4PY 0.00001 0.00015 0.00000 0.00000 0.00000 32 4PZ 0.00000 0.00000 -0.00018 -0.00001 0.00000 33 5XX 0.00000 0.00012 0.00000 0.00000 0.00004 34 5YY 0.00000 0.00000 0.00000 0.00000 0.00005 35 5ZZ -0.00001 0.00000 0.00000 0.00000 0.00004 36 5XY 0.00000 0.00001 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00001 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00000 0.00000 0.00001 0.00000 0.00000 41 3S -0.00002 0.00000 -0.00005 0.00000 0.00000 42 4S -0.00009 -0.00001 -0.00021 -0.00001 0.00000 43 5S 0.00094 0.00003 0.00145 0.00004 0.00000 44 6S 0.00121 0.00008 0.00153 0.00004 0.00002 45 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 46 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 47 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 8PX -0.00013 -0.00001 -0.00020 -0.00001 0.00000 49 8PY 0.00000 -0.00002 -0.00001 -0.00002 0.00000 50 8PZ 0.00000 -0.00001 -0.00026 -0.00001 0.00000 51 9PX 0.00315 0.00022 0.00394 0.00025 0.00000 52 9PY 0.00009 0.00080 0.00024 0.00074 0.00000 53 9PZ -0.00012 0.00029 0.00520 0.00015 0.00000 54 10PX 0.00674 0.00020 0.00319 0.00033 0.00005 55 10PY 0.00018 0.00207 0.00033 0.00217 0.00000 56 10PZ -0.00019 0.00036 0.00460 0.00013 0.00007 57 11XX 0.00002 0.00000 0.00006 0.00000 0.00000 58 11YY 0.00001 0.00000 0.00005 0.00000 0.00000 59 11ZZ 0.00002 0.00000 0.00003 0.00000 0.00000 60 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 61 11XZ -0.00001 0.00000 -0.00002 0.00000 0.00000 62 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 12XX 0.00015 -0.00002 0.00015 0.00003 0.00000 64 12YY 0.00006 0.00000 0.00002 0.00000 0.00000 65 12ZZ 0.00005 0.00006 0.00076 0.00002 0.00000 66 12XY -0.00001 -0.00001 0.00002 0.00008 0.00000 67 12XZ 0.00023 0.00002 0.00041 0.00003 0.00000 68 12YZ 0.00001 0.00016 0.00002 0.00010 0.00000 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00004 0.00000 0.00000 0.00000 71 3S 0.00000 -0.00019 0.00000 0.00000 0.00000 72 4S 0.00001 -0.00075 0.00000 0.00000 0.00000 73 5S -0.00025 0.00352 0.00000 0.00000 0.00000 74 6S 0.00041 0.00133 0.00001 0.00000 0.00000 75 7PX 0.00000 0.00001 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00001 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00001 -0.00044 0.00000 0.00000 0.00000 79 8PY 0.00001 -0.00068 0.00000 0.00000 0.00000 80 8PZ 0.00000 0.00000 -0.00011 -0.00012 0.00000 81 9PX -0.00073 0.00554 0.00001 0.00002 0.00000 82 9PY -0.00073 0.00889 0.00004 0.00000 0.00000 83 9PZ 0.00001 0.00003 0.00263 0.00277 0.00000 84 10PX -0.00354 0.00226 0.00000 0.00002 0.00000 85 10PY -0.00322 0.00472 0.00003 0.00000 0.00000 86 10PZ 0.00000 0.00003 0.00501 0.00558 0.00000 87 11XX 0.00000 0.00017 0.00000 0.00000 0.00000 88 11YY 0.00000 0.00018 0.00000 0.00000 0.00000 89 11ZZ -0.00001 0.00015 0.00000 0.00000 0.00000 90 11XY 0.00000 -0.00004 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 92 11YZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 93 12XX -0.00018 0.00043 0.00000 0.00000 0.00000 94 12YY -0.00025 0.00070 0.00000 0.00000 0.00000 95 12ZZ -0.00004 0.00012 0.00000 0.00000 0.00000 96 12XY -0.00021 0.00057 0.00000 0.00000 0.00000 97 12XZ 0.00000 0.00000 0.00009 0.00033 0.00000 98 12YZ 0.00000 0.00000 0.00024 0.00018 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00001 -0.00017 0.00000 -0.00001 0.00000 101 2PX 0.00000 -0.00006 0.00000 0.00000 0.00000 102 2PY 0.00001 -0.00036 0.00000 -0.00002 0.00000 103 2PZ 0.00000 0.00000 -0.00002 -0.00019 0.00000 104 3S -0.00046 0.00167 0.00001 0.00010 0.00000 105 3PX -0.00021 0.00396 0.00002 0.00007 0.00000 106 3PY -0.00239 0.00862 0.00006 0.00053 0.00000 107 3PZ 0.00007 0.00007 0.00068 0.00821 0.00000 108 4S 0.00002 0.00040 0.00000 0.00001 0.00000 109 4PX -0.00056 0.00590 0.00003 0.00003 0.00000 110 4PY -0.00509 0.00307 0.00003 0.00019 0.00000 111 4PZ -0.00002 0.00003 0.00071 0.00940 0.00000 112 5XX 0.00001 -0.00003 0.00000 0.00000 0.00000 113 5YY -0.00009 0.00041 0.00000 0.00003 0.00000 114 5ZZ 0.00003 -0.00004 0.00000 0.00000 0.00000 115 5XY -0.00001 0.00003 0.00000 0.00001 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00003 0.00000 117 5YZ 0.00001 0.00001 0.00001 0.00024 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S -0.00009 -0.00002 -0.00021 -0.00002 0.00000 120 2PX -0.00011 -0.00002 -0.00018 -0.00003 0.00000 121 2PY -0.00001 -0.00001 -0.00003 -0.00001 0.00000 122 2PZ 0.00001 -0.00003 -0.00020 -0.00002 0.00000 123 3S 0.00170 0.00023 0.00296 0.00028 0.00000 124 3PX 0.00454 0.00074 0.00597 0.00117 0.00000 125 3PY 0.00040 0.00097 0.00115 0.00083 0.00000 126 3PZ -0.00074 0.00124 0.00651 0.00056 0.00000 127 4S 0.00156 0.00019 0.00216 0.00020 0.00001 128 4PX 0.00531 0.00033 0.00225 0.00081 0.00006 129 4PY 0.00049 0.00155 0.00080 0.00159 0.00000 130 4PZ -0.00079 0.00083 0.00285 0.00025 0.00005 131 5XX -0.00005 -0.00002 -0.00002 0.00000 0.00000 132 5YY 0.00001 0.00000 -0.00007 0.00000 0.00000 133 5ZZ -0.00003 0.00007 0.00015 0.00002 0.00000 134 5XY 0.00000 -0.00001 0.00002 0.00001 0.00000 135 5XZ 0.00010 0.00002 0.00024 0.00004 0.00000 136 5YZ 0.00001 0.00002 0.00004 0.00001 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 -0.00002 0.00000 0.00000 0.00002 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00020 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00001 0.00000 0.00000 0.00000 0.00010 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00012 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2S 2.18767 22 2PX 0.00000 1.99986 23 2PY 0.00000 0.00000 2.00930 24 2PZ 0.00000 0.00000 0.00000 1.99332 25 3S -0.02397 0.00000 0.00000 0.00000 0.62100 26 3PX 0.00000 -0.00207 0.00000 0.00000 0.00000 27 3PY 0.00000 0.00000 -0.00818 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.00188 0.00000 29 4S -0.00222 0.00000 0.00000 0.00000 -0.02898 30 4PX 0.00000 -0.00122 0.00000 0.00000 0.00000 31 4PY 0.00000 0.00000 -0.00038 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00000 -0.00117 0.00000 33 5XX -0.00385 0.00000 0.00000 0.00000 -0.01277 34 5YY -0.00546 0.00000 0.00000 0.00000 0.00614 35 5ZZ -0.00266 0.00000 0.00000 0.00000 -0.03481 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00000 0.00000 0.00000 0.00000 0.00001 41 3S 0.00000 0.00000 0.00000 0.00000 0.00001 42 4S 0.00000 0.00000 0.00000 0.00000 0.00013 43 5S 0.00001 -0.00001 0.00000 -0.00002 -0.00202 44 6S -0.00035 -0.00005 0.00000 0.00000 -0.00314 45 7PX 0.00000 0.00000 0.00000 0.00000 0.00001 46 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 47 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001 48 8PX 0.00000 0.00000 0.00000 0.00000 -0.00051 49 8PY 0.00000 0.00000 0.00000 0.00000 -0.00004 50 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00051 51 9PX -0.00009 -0.00006 -0.00001 -0.00013 0.00902 52 9PY -0.00001 -0.00001 0.00000 -0.00001 0.00071 53 9PZ -0.00009 -0.00012 -0.00001 -0.00011 0.00989 54 10PX -0.00219 -0.00037 -0.00008 -0.00125 0.02297 55 10PY -0.00017 -0.00008 -0.00010 -0.00010 0.00176 56 10PZ -0.00250 -0.00114 -0.00010 -0.00090 0.02257 57 11XX 0.00000 0.00000 0.00000 0.00000 -0.00002 58 11YY 0.00000 0.00000 0.00000 0.00000 0.00011 59 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.00010 60 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 61 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00006 62 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 63 12XX 0.00003 0.00002 0.00000 -0.00006 -0.00002 64 12YY 0.00001 0.00000 0.00000 0.00000 -0.00065 65 12ZZ -0.00005 -0.00010 -0.00001 -0.00006 0.00226 66 12XY -0.00001 0.00000 0.00000 -0.00001 0.00012 67 12XZ -0.00019 -0.00004 -0.00001 -0.00010 0.00311 68 12YZ -0.00002 -0.00001 -0.00001 -0.00001 0.00025 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 3S 0.00000 0.00000 0.00000 0.00000 0.00000 72 4S 0.00000 0.00000 0.00000 0.00000 0.00000 73 5S 0.00000 0.00000 0.00000 0.00000 0.00000 74 6S 0.00000 0.00000 0.00000 0.00000 -0.00001 75 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 82 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 83 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10PX 0.00000 0.00000 0.00000 0.00000 -0.00002 85 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 86 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 88 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 89 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4S 0.00000 0.00000 0.00000 0.00000 -0.00001 109 4PX 0.00000 0.00000 0.00000 0.00000 -0.00003 110 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 111 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00009 120 2PX 0.00000 0.00000 0.00000 0.00000 -0.00040 121 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 122 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00027 123 3S 0.00000 -0.00004 0.00000 -0.00005 -0.00287 124 3PX -0.00028 -0.00024 -0.00001 -0.00032 0.01473 125 3PY -0.00001 -0.00001 -0.00001 -0.00001 0.00044 126 3PZ -0.00021 -0.00030 -0.00001 -0.00017 0.01141 127 4S -0.00024 -0.00012 0.00000 -0.00020 -0.00355 128 4PX -0.00212 -0.00056 -0.00004 -0.00114 0.01841 129 4PY -0.00006 -0.00004 -0.00014 -0.00003 0.00054 130 4PZ -0.00184 -0.00113 -0.00003 -0.00051 0.01387 131 5XX 0.00000 0.00000 0.00000 0.00000 0.00026 132 5YY 0.00000 0.00000 0.00000 0.00000 -0.00036 133 5ZZ 0.00000 -0.00001 0.00000 0.00000 0.00065 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00001 135 5XZ -0.00001 -0.00001 0.00000 -0.00001 0.00085 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00002 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 -0.00015 139 2PX 0.00000 0.00000 0.00000 0.00000 -0.00014 140 2PY 0.00000 0.00000 0.00000 0.00000 -0.00167 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00008 -0.00003 -0.00033 0.00000 -0.00089 143 3PX -0.00018 -0.00001 -0.00032 0.00000 0.00450 144 3PY -0.00169 -0.00030 -0.00222 0.00000 0.06060 145 3PZ 0.00000 0.00000 0.00000 -0.00012 0.00001 146 4S 0.00028 -0.00002 -0.00015 0.00000 -0.01707 147 4PX -0.00077 -0.00022 -0.00064 0.00000 0.00405 148 4PY -0.00680 -0.00059 -0.00333 0.00000 0.05727 149 4PZ 0.00000 0.00000 0.00000 -0.00061 0.00001 150 5XX 0.00000 0.00000 0.00000 0.00000 -0.00058 151 5YY -0.00005 -0.00001 -0.00004 0.00000 0.00437 152 5ZZ 0.00000 0.00000 0.00000 0.00000 -0.00082 153 5XY -0.00001 0.00000 -0.00002 0.00000 0.00045 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 -0.00015 158 2PX 0.00000 0.00000 0.00000 0.00000 -0.00079 159 2PY 0.00000 0.00000 0.00000 0.00000 -0.00102 160 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 161 3S -0.00008 -0.00016 -0.00020 0.00000 -0.00089 162 3PX -0.00089 -0.00027 -0.00101 -0.00001 0.02739 163 3PY -0.00098 -0.00097 -0.00056 -0.00001 0.03743 164 3PZ -0.00001 -0.00001 -0.00002 -0.00011 0.00042 165 4S 0.00029 -0.00008 -0.00008 0.00000 -0.01722 166 4PX -0.00361 -0.00029 -0.00194 -0.00003 0.02543 167 4PY -0.00391 -0.00184 -0.00063 -0.00003 0.03552 168 4PZ -0.00005 -0.00003 -0.00003 -0.00058 0.00039 169 5XX -0.00001 0.00000 -0.00001 0.00000 0.00097 170 5YY -0.00001 -0.00002 0.00000 0.00000 0.00173 171 5ZZ 0.00000 0.00000 0.00000 0.00000 -0.00080 172 5XY -0.00004 -0.00002 -0.00003 0.00000 0.00148 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00002 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00002 26 27 28 29 30 26 3PX 0.19060 27 3PY 0.00000 0.25482 28 3PZ 0.00000 0.00000 0.13590 29 4S 0.00000 0.00000 0.00000 0.03295 30 4PX 0.00981 0.00000 0.00000 0.00000 0.04113 31 4PY 0.00000 -0.00745 0.00000 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00977 0.00000 0.00000 33 5XX 0.00000 0.00000 0.00000 -0.00469 0.00000 34 5YY 0.00000 0.00000 0.00000 0.00530 0.00000 35 5ZZ 0.00000 0.00000 0.00000 0.00171 0.00000 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Br 1S 0.00000 0.00000 0.00000 -0.00003 -0.00002 40 2S 0.00010 0.00001 0.00008 0.00106 0.00047 41 3S -0.00025 -0.00002 -0.00028 -0.00193 -0.00076 42 4S -0.00078 -0.00006 -0.00087 -0.00533 -0.00191 43 5S 0.00295 0.00023 0.00401 0.00032 -0.00086 44 6S -0.00814 -0.00057 -0.00653 -0.00836 -0.00935 45 7PX 0.00001 0.00000 0.00001 -0.00002 0.00000 46 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 47 7PZ 0.00001 0.00000 0.00001 0.00000 0.00000 48 8PX -0.00035 -0.00007 -0.00096 0.00024 -0.00002 49 8PY -0.00007 -0.00006 -0.00008 0.00002 0.00001 50 8PZ -0.00090 -0.00008 -0.00067 0.00005 0.00008 51 9PX 0.00486 0.00110 0.01591 -0.00037 0.00043 52 9PY 0.00108 0.00139 0.00132 -0.00002 0.00009 53 9PZ 0.01517 0.00127 0.01040 -0.00012 -0.00061 54 10PX 0.00389 0.00172 0.02481 -0.00279 0.00297 55 10PY 0.00170 0.00352 0.00206 -0.00019 0.00005 56 10PZ 0.02191 0.00188 0.01181 -0.00143 -0.00252 57 11XX 0.00032 0.00002 0.00021 0.00208 0.00098 58 11YY 0.00033 0.00003 0.00033 0.00205 0.00074 59 11ZZ 0.00005 0.00000 0.00016 0.00206 0.00081 60 11XY 0.00000 -0.00001 -0.00001 0.00000 0.00000 61 11XZ -0.00002 -0.00001 -0.00006 -0.00002 0.00000 62 11YZ -0.00001 -0.00001 -0.00001 0.00000 0.00000 63 12XX 0.00032 0.00013 0.00209 0.00358 0.00129 64 12YY 0.00076 0.00000 0.00081 0.00310 0.00173 65 12ZZ 0.00479 0.00038 0.00226 0.00345 0.00148 66 12XY 0.00000 0.00021 0.00008 0.00000 0.00000 67 12XZ 0.00050 0.00016 0.00129 -0.00007 0.00003 68 12YZ 0.00018 0.00033 0.00012 -0.00001 0.00000 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 -0.00001 -0.00003 71 3S 0.00000 0.00000 0.00000 0.00001 0.00004 72 4S 0.00000 0.00000 0.00000 0.00004 0.00012 73 5S 0.00000 0.00000 0.00000 0.00008 0.00015 74 6S 0.00005 -0.00001 0.00000 -0.00006 -0.00002 75 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00000 0.00000 0.00000 0.00002 79 8PY 0.00000 0.00000 0.00000 0.00000 -0.00001 80 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9PX -0.00001 0.00000 0.00000 -0.00023 -0.00070 82 9PY 0.00000 0.00000 0.00000 0.00009 0.00014 83 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10PX -0.00014 -0.00002 0.00000 -0.00106 -0.00234 85 10PY 0.00003 0.00000 0.00000 0.00036 0.00045 86 10PZ 0.00000 0.00000 0.00003 0.00000 0.00000 87 11XX 0.00000 0.00000 0.00000 -0.00001 -0.00004 88 11YY 0.00000 0.00000 0.00000 -0.00003 -0.00008 89 11ZZ 0.00000 0.00000 0.00000 -0.00001 -0.00004 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX -0.00001 0.00000 0.00000 -0.00008 -0.00018 94 12YY 0.00000 0.00000 0.00000 0.00001 -0.00001 95 12ZZ 0.00000 0.00000 0.00000 -0.00002 -0.00006 96 12XY 0.00000 0.00000 0.00000 0.00001 0.00001 97 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 -0.00002 -0.00002 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00008 0.00010 105 3PX -0.00001 -0.00001 0.00000 -0.00045 -0.00075 106 3PY 0.00000 0.00000 0.00000 0.00018 0.00012 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4S 0.00006 -0.00002 0.00000 -0.00005 0.00009 109 4PX -0.00009 -0.00008 0.00000 -0.00119 -0.00145 110 4PY 0.00005 -0.00001 0.00000 0.00039 0.00021 111 4PZ 0.00000 0.00000 0.00003 0.00001 0.00000 112 5XX 0.00000 0.00000 0.00000 -0.00001 -0.00002 113 5YY 0.00000 0.00000 0.00000 0.00002 0.00002 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 -0.00001 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00001 0.00000 0.00001 -0.00003 -0.00003 119 2S -0.00036 -0.00001 -0.00050 0.00095 0.00095 120 2PX -0.00042 -0.00003 -0.00068 0.00020 0.00001 121 2PY -0.00003 -0.00007 -0.00002 0.00001 0.00000 122 2PZ -0.00067 -0.00002 -0.00026 0.00004 0.00005 123 3S 0.00384 0.00009 0.00471 -0.00424 -0.00528 124 3PX 0.01204 0.00087 0.02278 -0.00087 0.00016 125 3PY 0.00087 0.00287 0.00063 -0.00002 0.00005 126 3PZ 0.02201 0.00061 0.00765 -0.00140 -0.00114 127 4S -0.00359 -0.00013 0.00106 -0.00542 -0.00758 128 4PX 0.00619 0.00074 0.01870 -0.00323 0.00183 129 4PY 0.00076 0.00377 0.00049 -0.00010 -0.00001 130 4PZ 0.01823 0.00048 0.00412 -0.00250 -0.00227 131 5XX -0.00030 0.00002 0.00045 0.00001 0.00005 132 5YY -0.00028 -0.00001 -0.00020 0.00012 0.00020 133 5ZZ 0.00150 0.00004 0.00011 -0.00012 -0.00010 134 5XY 0.00001 0.00012 0.00001 0.00000 0.00000 135 5XZ 0.00043 0.00003 0.00044 -0.00001 0.00000 136 5YZ 0.00003 0.00013 0.00001 0.00000 0.00000 137 7 Cl 1S 0.00001 0.00006 0.00000 -0.00006 0.00000 138 2S -0.00018 -0.00194 0.00000 0.00195 -0.00008 139 2PX -0.00011 -0.00047 0.00000 -0.00005 -0.00032 140 2PY -0.00042 -0.00287 0.00000 0.00014 -0.00005 141 2PZ 0.00000 0.00000 -0.00033 0.00000 0.00000 142 3S 0.00163 0.01732 0.00000 -0.00773 -0.00008 143 3PX 0.00461 0.01391 0.00000 0.00304 0.01562 144 3PY 0.01214 0.07680 0.00003 -0.00421 0.00206 145 3PZ 0.00000 0.00002 0.01212 0.00000 0.00000 146 4S -0.00109 -0.01450 -0.00001 -0.00448 -0.00067 147 4PX 0.00774 0.01016 0.00000 0.00464 0.02486 148 4PY 0.00880 0.03846 0.00002 -0.00531 0.00247 149 4PZ 0.00000 0.00002 0.01768 0.00000 0.00000 150 5XX -0.00015 -0.00054 0.00000 0.00034 -0.00018 151 5YY 0.00085 0.00406 0.00000 -0.00065 0.00029 152 5ZZ -0.00011 -0.00106 0.00000 0.00011 0.00001 153 5XY 0.00013 0.00072 0.00000 0.00002 0.00012 154 5XZ 0.00000 0.00000 0.00005 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00045 0.00000 0.00000 156 8 Cl 1S 0.00003 0.00003 0.00000 -0.00006 -0.00002 157 2S -0.00095 -0.00116 -0.00002 0.00192 0.00043 158 2PX -0.00029 -0.00149 -0.00002 -0.00005 -0.00006 159 2PY -0.00139 -0.00064 -0.00002 0.00014 -0.00014 160 2PZ -0.00002 -0.00002 -0.00031 0.00000 0.00000 161 3S 0.00852 0.01032 0.00014 -0.00768 -0.00225 162 3PX 0.00664 0.04336 0.00056 0.00507 0.00403 163 3PY 0.04030 0.01560 0.00062 -0.00610 0.00638 164 3PZ 0.00051 0.00065 0.01158 -0.00003 0.00004 165 4S -0.00668 -0.00902 -0.00007 -0.00459 -0.00317 166 4PX 0.00091 0.03061 0.00042 0.00802 0.00885 167 4PY 0.02824 0.00427 0.00045 -0.00853 0.00788 168 4PZ 0.00040 0.00046 0.01713 -0.00005 0.00006 169 5XX -0.00009 0.00168 0.00002 0.00042 -0.00064 170 5YY 0.00179 0.00017 0.00003 -0.00068 0.00083 171 5ZZ -0.00053 -0.00060 -0.00001 0.00010 0.00009 172 5XY 0.00054 0.00087 0.00002 -0.00002 0.00001 173 5XZ 0.00001 0.00003 0.00023 0.00000 0.00000 174 5YZ 0.00002 0.00001 0.00024 0.00000 0.00000 31 32 33 34 35 31 4PY 0.01532 32 4PZ 0.00000 0.01696 33 5XX 0.00000 0.00000 0.01394 34 5YY 0.00000 0.00000 -0.00413 0.01998 35 5ZZ 0.00000 0.00000 0.00105 -0.00265 0.01198 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Br 1S 0.00000 -0.00003 0.00000 0.00000 0.00000 40 2S 0.00005 0.00083 0.00000 0.00000 0.00000 41 3S -0.00008 -0.00148 0.00000 0.00000 -0.00002 42 4S -0.00020 -0.00398 0.00000 0.00001 -0.00010 43 5S -0.00004 0.00038 0.00001 -0.00012 0.00108 44 6S -0.00074 -0.00921 0.00054 -0.00064 0.00119 45 7PX 0.00000 -0.00001 0.00000 0.00000 0.00000 46 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 47 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 8PX 0.00001 0.00011 0.00002 0.00001 -0.00014 49 8PY -0.00022 0.00001 -0.00001 -0.00001 -0.00001 50 8PZ 0.00000 0.00006 -0.00009 0.00001 -0.00001 51 9PX 0.00009 -0.00064 -0.00043 -0.00055 0.00338 52 9PY 0.00421 -0.00002 0.00023 0.00012 0.00029 53 9PZ -0.00003 -0.00055 0.00227 -0.00054 0.00012 54 10PX 0.00005 -0.00226 -0.00078 -0.00340 0.00689 55 10PY 0.01040 -0.00011 0.00059 -0.00012 0.00060 56 10PZ -0.00015 0.00047 0.00526 -0.00310 0.00022 57 11XX 0.00005 0.00145 0.00001 0.00000 0.00002 58 11YY 0.00012 0.00152 0.00000 0.00000 0.00001 59 11ZZ 0.00008 0.00166 -0.00004 0.00000 0.00002 60 11XY -0.00001 0.00000 0.00000 0.00000 0.00000 61 11XZ 0.00000 0.00000 0.00001 0.00000 -0.00001 62 11YZ -0.00001 0.00000 0.00000 0.00000 0.00000 63 12XX 0.00017 0.00293 -0.00010 0.00003 0.00015 64 12YY 0.00009 0.00252 -0.00009 0.00001 0.00009 65 12ZZ 0.00016 0.00141 0.00041 -0.00019 0.00009 66 12XY 0.00000 0.00000 -0.00001 0.00000 0.00000 67 12XZ 0.00001 0.00000 -0.00017 -0.00010 0.00026 68 12YZ 0.00023 0.00000 0.00004 0.00002 0.00002 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S -0.00001 0.00000 0.00000 0.00000 0.00000 71 3S 0.00002 0.00000 0.00000 0.00000 0.00000 72 4S 0.00007 0.00000 0.00000 0.00000 0.00000 73 5S 0.00000 0.00000 0.00000 0.00000 0.00000 74 6S -0.00004 0.00000 0.00000 0.00000 0.00000 75 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9PX 0.00006 0.00000 0.00000 0.00000 0.00000 82 9PY 0.00003 0.00000 0.00000 0.00000 0.00000 83 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10PX 0.00019 0.00000 -0.00005 0.00000 0.00001 85 10PY 0.00013 0.00000 0.00000 0.00000 0.00000 86 10PZ 0.00000 0.00001 0.00000 0.00000 0.00000 87 11XX -0.00003 0.00000 0.00000 0.00000 0.00000 88 11YY -0.00002 0.00000 0.00000 0.00000 0.00000 89 11ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX -0.00007 0.00000 0.00000 0.00000 0.00000 94 12YY -0.00003 0.00000 0.00000 0.00000 0.00000 95 12ZZ -0.00003 0.00000 0.00000 0.00000 0.00000 96 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00003 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00010 0.00000 0.00000 0.00000 0.00000 105 3PX -0.00010 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00003 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4S -0.00017 0.00000 0.00000 0.00000 0.00000 109 4PX -0.00028 0.00000 -0.00002 0.00000 0.00000 110 4PY -0.00003 0.00000 -0.00001 -0.00001 0.00000 111 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00001 0.00000 0.00000 0.00000 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 119 2S 0.00003 0.00061 -0.00004 0.00000 -0.00008 120 2PX 0.00000 0.00008 -0.00001 0.00001 -0.00011 121 2PY -0.00008 0.00000 -0.00001 0.00000 0.00000 122 2PZ 0.00000 0.00000 -0.00015 0.00000 0.00001 123 3S -0.00016 -0.00332 0.00065 -0.00026 0.00156 124 3PX 0.00004 -0.00123 0.00013 -0.00103 0.00457 125 3PY 0.00415 -0.00005 0.00030 0.00012 0.00012 126 3PZ -0.00005 0.00050 0.00590 -0.00075 -0.00090 127 4S -0.00023 -0.00461 0.00114 -0.00088 0.00128 128 4PX -0.00001 -0.00238 0.00049 -0.00373 0.00539 129 4PY 0.00635 -0.00009 0.00042 -0.00004 0.00013 130 4PZ -0.00009 0.00183 0.00694 -0.00256 -0.00108 131 5XX 0.00000 0.00013 -0.00005 0.00001 -0.00002 132 5YY 0.00001 0.00012 -0.00006 0.00001 0.00001 133 5ZZ -0.00001 -0.00024 0.00030 -0.00003 -0.00003 134 5XY 0.00000 0.00000 0.00000 0.00000 -0.00001 135 5XZ 0.00000 0.00000 -0.00003 -0.00002 0.00009 136 5YZ 0.00004 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S -0.00007 0.00000 0.00000 0.00002 0.00000 138 2S 0.00192 0.00000 0.00003 -0.00071 0.00000 139 2PX -0.00002 0.00000 -0.00002 -0.00026 0.00000 140 2PY 0.00009 0.00000 0.00006 -0.00074 0.00001 141 2PZ 0.00000 -0.00025 0.00000 0.00000 0.00000 142 3S -0.00683 0.00000 -0.00075 0.00777 -0.00046 143 3PX 0.00065 0.00000 0.00073 0.00745 -0.00026 144 3PY -0.00246 -0.00001 -0.00359 0.01519 -0.00231 145 3PZ 0.00000 0.01081 0.00000 0.00001 0.00000 146 4S -0.00614 0.00000 -0.00026 0.00296 0.00003 147 4PX 0.00122 0.00000 -0.00048 0.00569 -0.00071 148 4PY -0.00122 -0.00001 -0.00507 0.00802 -0.00511 149 4PZ -0.00001 0.01703 0.00000 0.00001 0.00000 150 5XX 0.00031 0.00000 0.00001 -0.00011 0.00001 151 5YY -0.00041 0.00000 -0.00013 0.00061 -0.00009 152 5ZZ 0.00021 0.00000 0.00002 -0.00019 0.00003 153 5XY 0.00000 0.00000 0.00006 0.00033 -0.00001 154 5XZ 0.00000 0.00001 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00010 0.00000 0.00000 0.00000 156 8 Cl 1S -0.00005 0.00000 0.00000 0.00000 0.00000 157 2S 0.00141 0.00001 -0.00007 -0.00015 0.00001 158 2PX -0.00008 0.00000 0.00010 -0.00040 0.00001 159 2PY -0.00002 0.00000 -0.00026 0.00011 0.00001 160 2PZ 0.00000 -0.00024 0.00000 -0.00001 0.00000 161 3S -0.00465 -0.00005 0.00085 0.00172 -0.00048 162 3PX 0.00391 0.00003 -0.00322 0.01158 -0.00126 163 3PY 0.00162 0.00007 0.00743 -0.00393 -0.00134 164 3PZ 0.00005 0.01061 0.00010 0.00015 0.00010 165 4S -0.00361 -0.00007 0.00082 0.00099 0.00004 166 4PX 0.00565 0.00004 -0.00390 0.01161 -0.00290 167 4PY 0.00505 0.00008 0.00852 -0.00437 -0.00268 168 4PZ 0.00008 0.01673 0.00012 0.00016 -0.00002 169 5XX 0.00045 0.00000 -0.00011 0.00029 -0.00001 170 5YY -0.00052 0.00001 0.00023 -0.00013 -0.00003 171 5ZZ 0.00014 -0.00001 0.00000 -0.00004 0.00003 172 5XY 0.00000 0.00000 -0.00002 0.00007 -0.00005 173 5XZ 0.00000 0.00004 0.00000 0.00001 0.00000 174 5YZ 0.00000 0.00006 0.00000 0.00000 0.00000 36 37 38 39 40 36 5XY 0.01991 37 5XZ 0.00000 0.01510 38 5YZ 0.00000 0.00000 0.01144 39 3 Br 1S 0.00000 0.00000 0.00000 2.39610 40 2S 0.00000 0.00001 0.00000 -0.50328 4.75572 41 3S 0.00000 -0.00005 0.00000 0.07253 -1.89224 42 4S -0.00001 -0.00020 -0.00002 0.06064 -1.79585 43 5S 0.00007 0.00137 0.00013 0.00344 -0.08348 44 6S 0.00013 0.00141 0.00012 0.00286 -0.08404 45 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 46 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 47 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 8PX -0.00002 -0.00015 -0.00003 0.00000 0.00000 49 8PY -0.00001 -0.00003 -0.00001 0.00000 0.00000 50 8PZ -0.00003 -0.00028 -0.00002 0.00000 0.00000 51 9PX 0.00032 0.00293 0.00064 0.00000 0.00000 52 9PY 0.00058 0.00064 0.00059 0.00000 0.00000 53 9PZ 0.00068 0.00558 0.00047 0.00000 0.00000 54 10PX 0.00025 0.00211 0.00082 0.00000 0.00000 55 10PY 0.00163 0.00081 0.00190 0.00000 0.00000 56 10PZ 0.00081 0.00498 0.00042 0.00000 0.00000 57 11XX 0.00000 0.00005 0.00000 -0.00974 0.59434 58 11YY 0.00000 0.00005 0.00000 -0.00975 0.59488 59 11ZZ 0.00000 0.00003 0.00000 -0.00975 0.59451 60 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 61 11XZ 0.00000 -0.00002 0.00000 0.00000 0.00000 62 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 12XX -0.00002 0.00010 0.00004 -0.00001 0.00189 64 12YY 0.00001 0.00003 0.00000 -0.00001 0.00188 65 12ZZ 0.00014 0.00082 0.00007 -0.00001 0.00189 66 12XY -0.00001 0.00003 0.00006 0.00000 0.00000 67 12XZ 0.00003 0.00030 0.00007 0.00000 0.00000 68 12YZ 0.00011 0.00008 0.00008 0.00000 0.00000 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 3S 0.00000 0.00000 0.00000 0.00000 0.00000 72 4S 0.00000 0.00000 0.00000 0.00000 0.00000 73 5S 0.00000 0.00000 0.00000 0.00000 0.00000 74 6S 0.00000 0.00000 0.00000 0.00000 0.00000 75 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 82 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 83 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 86 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 88 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 89 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4S 0.00000 0.00000 0.00000 0.00000 0.00000 109 4PX -0.00002 0.00000 0.00000 0.00000 0.00000 110 4PY -0.00001 0.00000 0.00000 0.00000 0.00000 111 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00001 0.00000 0.00000 0.00000 119 2S -0.00001 -0.00024 -0.00001 0.00000 0.00000 120 2PX -0.00001 -0.00024 -0.00001 0.00000 0.00000 121 2PY -0.00003 -0.00001 -0.00002 0.00000 0.00000 122 2PZ -0.00001 -0.00020 -0.00001 0.00000 0.00000 123 3S 0.00009 0.00334 0.00008 0.00000 0.00000 124 3PX 0.00042 0.00786 0.00045 0.00000 0.00000 125 3PY 0.00167 0.00045 0.00123 0.00000 0.00000 126 3PZ 0.00048 0.00636 0.00018 0.00000 0.00000 127 4S 0.00007 0.00231 0.00006 0.00000 -0.00001 128 4PX 0.00020 0.00315 0.00030 0.00000 0.00000 129 4PY 0.00234 0.00030 0.00200 0.00000 0.00000 130 4PZ 0.00029 0.00260 0.00007 0.00000 -0.00004 131 5XX -0.00001 0.00000 0.00001 0.00000 0.00000 132 5YY 0.00000 -0.00007 0.00000 0.00000 0.00000 133 5ZZ 0.00003 0.00014 0.00000 0.00000 0.00000 134 5XY -0.00001 0.00001 0.00002 0.00000 0.00000 135 5XZ 0.00001 0.00030 0.00001 0.00000 0.00000 136 5YZ 0.00005 0.00001 0.00002 0.00000 0.00000 137 7 Cl 1S 0.00001 0.00000 0.00000 0.00000 0.00000 138 2S -0.00021 0.00000 0.00000 0.00000 0.00000 139 2PX -0.00003 0.00000 0.00000 0.00000 0.00000 140 2PY -0.00045 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 -0.00002 -0.00020 0.00000 0.00000 142 3S 0.00210 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00279 0.00000 0.00000 0.00000 0.00000 144 3PY 0.01052 0.00001 0.00001 0.00000 0.00000 145 3PZ 0.00000 0.00090 0.00847 0.00000 0.00000 146 4S 0.00045 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00490 0.00000 0.00000 0.00000 0.00000 148 4PY 0.00371 0.00000 0.00001 0.00000 0.00000 149 4PZ 0.00000 0.00092 0.00952 0.00000 0.00000 150 5XX -0.00004 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00048 0.00000 0.00000 0.00000 0.00000 152 5ZZ -0.00005 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00001 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00004 0.00000 0.00000 155 5YZ 0.00000 0.00001 0.00025 0.00000 0.00000 156 8 Cl 1S 0.00002 0.00000 0.00000 0.00000 0.00000 157 2S -0.00065 -0.00001 -0.00001 0.00000 0.00000 158 2PX -0.00037 0.00000 -0.00001 0.00000 0.00000 159 2PY -0.00060 -0.00001 -0.00001 0.00000 0.00000 160 2PZ -0.00001 -0.00010 -0.00011 0.00000 0.00000 161 3S 0.00642 0.00007 0.00009 0.00000 0.00000 162 3PX 0.00742 0.00008 0.00037 0.00000 0.00000 163 3PY 0.01289 0.00032 0.00017 0.00000 0.00000 164 3PZ 0.00037 0.00413 0.00462 0.00000 0.00000 165 4S 0.00131 0.00000 0.00002 0.00000 0.00000 166 4PX 0.00118 0.00001 0.00017 0.00000 0.00000 167 4PY 0.00318 0.00015 0.00004 0.00000 0.00000 168 4PZ 0.00018 0.00457 0.00541 0.00000 0.00000 169 5XX 0.00010 0.00000 0.00001 0.00000 0.00000 170 5YY 0.00023 0.00001 0.00000 0.00000 0.00000 171 5ZZ -0.00018 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00050 0.00001 0.00001 0.00000 0.00000 173 5XZ 0.00001 0.00003 0.00010 0.00000 0.00000 174 5YZ 0.00001 0.00007 0.00007 0.00000 0.00000 41 42 43 44 45 41 3S 2.02031 42 4S 2.63820 4.46656 43 5S 0.02492 -0.05865 1.04450 44 6S 0.11084 0.24622 0.52991 0.60444 45 7PX 0.00000 0.00000 0.00000 0.00000 2.30218 46 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 47 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 8PX 0.00000 0.00000 0.00000 0.00000 -0.30762 49 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 9PX 0.00000 0.00000 0.00000 0.00000 0.00143 52 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 53 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 54 10PX 0.00000 0.00000 0.00000 0.00000 0.00085 55 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 56 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 11XX -0.73283 -1.23262 -0.08043 -0.12704 0.00000 58 11YY -0.73420 -1.23581 -0.07375 -0.13322 0.00000 59 11ZZ -0.73323 -1.23363 -0.08203 -0.12349 0.00000 60 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 61 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 12XX -0.01084 -0.05614 -0.00413 -0.08540 0.00000 64 12YY -0.01060 -0.05455 -0.01421 -0.09269 0.00000 65 12ZZ -0.01077 -0.05566 -0.00631 -0.08944 0.00000 66 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 67 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 3S 0.00000 0.00000 0.00000 0.00000 0.00000 72 4S 0.00000 0.00000 0.00000 0.00001 0.00000 73 5S 0.00000 0.00000 0.00000 0.00000 0.00000 74 6S 0.00000 0.00001 0.00001 0.00011 0.00000 75 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9PX 0.00000 0.00000 0.00000 -0.00018 0.00000 82 9PY 0.00000 0.00000 0.00000 0.00007 0.00000 83 9PZ 0.00000 0.00000 0.00000 -0.00014 0.00000 84 10PX 0.00001 0.00004 -0.00008 -0.00182 0.00000 85 10PY 0.00000 0.00000 -0.00008 0.00078 0.00000 86 10PZ 0.00000 0.00002 -0.00002 -0.00155 0.00000 87 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 88 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 89 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX 0.00000 0.00000 0.00000 -0.00014 0.00000 94 12YY 0.00000 0.00000 0.00000 -0.00002 0.00000 95 12ZZ 0.00000 0.00000 0.00000 -0.00004 0.00000 96 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 12XZ 0.00000 0.00000 0.00000 -0.00003 0.00000 98 12YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00001 0.00000 105 3PX 0.00000 0.00000 0.00000 -0.00028 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00011 0.00000 107 3PZ 0.00000 0.00000 0.00000 -0.00023 0.00000 108 4S 0.00000 0.00001 0.00002 -0.00001 0.00000 109 4PX 0.00001 0.00003 0.00002 -0.00158 0.00000 110 4PY 0.00000 0.00001 -0.00011 0.00062 0.00000 111 4PZ 0.00001 0.00003 -0.00004 -0.00137 0.00000 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 -0.00002 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 123 3S 0.00000 0.00000 0.00000 0.00018 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 -0.00002 -0.00063 0.00000 127 4S 0.00002 0.00008 0.00000 0.00161 0.00000 128 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 129 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 4PZ 0.00009 0.00031 -0.00067 -0.00094 0.00000 131 5XX 0.00000 0.00000 0.00000 0.00001 0.00000 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 0.00000 -0.00006 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00001 0.00000 143 3PX 0.00000 0.00000 0.00000 -0.00025 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00010 0.00000 145 3PZ 0.00000 0.00000 0.00000 -0.00023 0.00000 146 4S 0.00000 0.00001 0.00002 0.00000 0.00000 147 4PX 0.00001 0.00002 0.00003 -0.00147 0.00000 148 4PY 0.00000 0.00002 -0.00013 0.00056 0.00000 149 4PZ 0.00001 0.00003 -0.00002 -0.00143 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00001 0.00000 162 3PX 0.00000 0.00000 0.00000 -0.00024 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00011 0.00000 164 3PZ 0.00000 0.00000 0.00000 -0.00024 0.00000 165 4S 0.00000 0.00001 0.00002 0.00001 0.00000 166 4PX 0.00001 0.00004 -0.00003 -0.00141 0.00000 167 4PY 0.00000 0.00000 -0.00005 0.00062 0.00000 168 4PZ 0.00001 0.00003 -0.00004 -0.00150 0.00000 169 5XX 0.00000 0.00000 0.00000 -0.00001 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 7PY 2.30561 47 7PZ 0.00000 2.30277 48 8PX 0.00000 0.00000 2.44694 49 8PY -0.31125 0.00000 0.00000 2.47620 50 8PZ 0.00000 -0.30820 0.00000 0.00000 2.45090 51 9PX 0.00000 0.00000 -0.11029 0.00000 0.00000 52 9PY 0.00204 0.00000 0.00000 -0.13085 0.00000 53 9PZ 0.00000 0.00155 0.00000 0.00000 -0.11332 54 10PX 0.00000 0.00000 -0.03258 0.00000 0.00000 55 10PY 0.00090 0.00000 0.00000 -0.03927 0.00000 56 10PZ 0.00000 0.00081 0.00000 0.00000 -0.03221 57 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 58 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 59 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 61 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 64 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 65 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 67 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 3S 0.00000 0.00000 0.00000 0.00000 0.00000 72 4S 0.00000 0.00000 0.00000 0.00000 0.00000 73 5S 0.00000 0.00000 0.00000 0.00000 0.00000 74 6S 0.00000 0.00000 0.00000 0.00000 0.00000 75 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 82 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 83 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10PX 0.00000 0.00000 0.00002 0.00001 0.00001 85 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 86 10PZ 0.00000 0.00000 0.00001 0.00000 0.00000 87 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 88 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 89 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4S 0.00000 0.00000 0.00000 0.00000 0.00000 109 4PX 0.00000 0.00000 0.00000 0.00001 0.00001 110 4PY 0.00000 0.00000 0.00001 0.00001 0.00000 111 4PZ 0.00000 0.00000 0.00001 0.00001 0.00000 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4S 0.00000 0.00000 0.00000 0.00000 0.00003 128 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 129 4PY 0.00000 0.00000 0.00000 0.00001 0.00000 130 4PZ 0.00000 0.00000 0.00000 0.00000 0.00023 131 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.00000 0.00001 0.00001 148 4PY 0.00000 0.00000 0.00001 0.00001 0.00000 149 4PZ 0.00000 0.00000 0.00001 0.00001 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00002 0.00001 0.00001 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00001 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 9PX 0.64969 52 9PY 0.00000 0.74765 53 9PZ 0.00000 0.00000 0.66364 54 10PX 0.31491 0.00000 0.00000 0.35749 55 10PY 0.00000 0.39766 0.00000 0.00000 0.48801 56 10PZ 0.00000 0.00000 0.31686 0.00000 0.00000 57 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 58 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 59 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 61 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 64 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 65 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 67 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 71 3S 0.00000 0.00000 0.00000 0.00001 0.00000 72 4S 0.00000 0.00000 0.00000 0.00004 0.00001 73 5S 0.00000 0.00000 0.00000 -0.00012 0.00000 74 6S -0.00004 -0.00007 0.00002 -0.00022 -0.00075 75 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00000 0.00000 0.00002 0.00001 79 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 8PZ 0.00000 0.00000 0.00000 0.00001 0.00000 81 9PX 0.00000 0.00000 0.00000 -0.00087 -0.00020 82 9PY 0.00000 0.00000 0.00000 -0.00010 0.00000 83 9PZ 0.00000 0.00000 0.00000 -0.00043 -0.00001 84 10PX -0.00069 -0.00023 -0.00025 -0.00457 -0.00158 85 10PY -0.00017 0.00000 -0.00002 -0.00045 0.00000 86 10PZ -0.00035 -0.00003 -0.00003 -0.00278 0.00002 87 11XX 0.00000 0.00000 0.00000 -0.00002 -0.00001 88 11YY 0.00000 0.00000 0.00000 -0.00002 0.00000 89 11ZZ 0.00000 0.00000 0.00000 -0.00002 0.00000 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX 0.00000 0.00000 0.00000 -0.00012 0.00005 94 12YY 0.00000 0.00000 0.00000 -0.00007 0.00000 95 12ZZ 0.00000 0.00000 0.00000 -0.00006 0.00003 96 12XY 0.00000 0.00000 0.00000 0.00003 0.00000 97 12XZ 0.00000 0.00000 0.00000 0.00005 0.00005 98 12YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00001 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 104 3S 0.00000 0.00000 0.00000 -0.00008 -0.00018 105 3PX 0.00000 0.00000 0.00000 -0.00030 -0.00056 106 3PY -0.00001 0.00000 0.00000 -0.00034 -0.00023 107 3PZ 0.00000 0.00000 0.00000 -0.00050 -0.00029 108 4S 0.00001 -0.00016 0.00001 0.00015 -0.00116 109 4PX -0.00012 -0.00036 -0.00023 -0.00079 -0.00236 110 4PY -0.00024 -0.00019 -0.00012 -0.00093 -0.00077 111 4PZ -0.00028 -0.00021 -0.00007 -0.00203 -0.00095 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00001 113 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00001 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00001 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 -0.00016 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 -0.00031 126 3PZ 0.00000 0.00000 -0.00022 -0.00001 -0.00003 127 4S 0.00000 0.00000 -0.00090 0.00000 -0.00001 128 4PX -0.00010 0.00000 -0.00001 -0.00034 0.00000 129 4PY 0.00000 -0.00025 -0.00002 0.00000 -0.00206 130 4PZ 0.00000 -0.00002 -0.00560 -0.00002 -0.00009 131 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00001 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00001 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 142 3S 0.00000 0.00000 0.00000 -0.00007 -0.00018 143 3PX 0.00000 0.00000 0.00000 -0.00026 -0.00060 144 3PY -0.00001 0.00000 0.00000 -0.00036 -0.00028 145 3PZ 0.00000 0.00000 0.00000 -0.00043 -0.00029 146 4S 0.00001 -0.00015 0.00002 0.00014 -0.00112 147 4PX -0.00009 -0.00037 -0.00018 -0.00065 -0.00253 148 4PY -0.00027 -0.00022 -0.00011 -0.00112 -0.00091 149 4PZ -0.00023 -0.00020 -0.00005 -0.00178 -0.00100 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00001 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00001 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00001 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 161 3S 0.00000 0.00000 0.00000 -0.00019 -0.00006 162 3PX -0.00001 0.00000 -0.00001 -0.00104 -0.00020 163 3PY 0.00000 0.00000 0.00000 -0.00005 0.00000 164 3PZ -0.00001 0.00000 0.00000 -0.00078 -0.00002 165 4S -0.00007 -0.00007 0.00001 -0.00043 -0.00050 166 4PX -0.00055 -0.00016 -0.00034 -0.00329 -0.00100 167 4PY -0.00009 0.00000 0.00000 -0.00010 -0.00002 168 4PZ -0.00046 -0.00003 -0.00008 -0.00309 0.00002 169 5XX 0.00000 0.00000 0.00000 0.00001 0.00001 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00001 0.00001 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 10PZ 0.35599 57 11XX 0.00000 2.71781 58 11YY 0.00000 -0.08477 2.72026 59 11ZZ 0.00000 -0.08490 -0.08467 2.71844 60 11XY 0.00000 0.00000 0.00000 0.00000 1.98229 61 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 12XX 0.00000 0.05709 0.01513 0.01464 0.00000 64 12YY 0.00000 0.01456 0.05742 0.01442 0.00000 65 12ZZ 0.00000 0.01464 0.01507 0.05655 0.00000 66 12XY 0.00000 0.00000 0.00000 0.00000 0.00844 67 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 3S 0.00000 0.00000 0.00000 0.00000 0.00000 72 4S 0.00001 0.00000 0.00000 0.00000 0.00000 73 5S -0.00004 0.00000 0.00000 0.00000 0.00000 74 6S 0.00024 0.00000 0.00000 0.00000 0.00000 75 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00001 0.00000 0.00000 0.00000 0.00000 79 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9PX -0.00036 0.00000 0.00000 0.00000 0.00000 82 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 83 9PZ -0.00005 0.00000 0.00000 0.00000 0.00000 84 10PX -0.00200 -0.00002 -0.00001 -0.00001 0.00000 85 10PY 0.00018 0.00000 0.00000 0.00000 0.00000 86 10PZ -0.00019 -0.00001 0.00000 0.00000 0.00000 87 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 88 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 89 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX -0.00005 0.00000 0.00000 0.00000 0.00000 94 12YY -0.00001 0.00000 0.00000 0.00000 0.00000 95 12ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 96 12XY 0.00001 0.00000 0.00000 0.00000 0.00000 97 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00006 0.00000 0.00000 0.00000 0.00000 105 3PX -0.00046 0.00000 0.00000 0.00000 0.00000 106 3PY -0.00017 0.00000 0.00000 0.00000 0.00000 107 3PZ -0.00015 0.00000 0.00000 0.00000 0.00000 108 4S 0.00006 -0.00001 0.00000 0.00000 0.00000 109 4PX -0.00173 -0.00001 -0.00001 -0.00001 0.00000 110 4PY -0.00035 -0.00001 0.00000 0.00000 0.00000 111 4PZ -0.00035 -0.00001 -0.00001 -0.00001 0.00000 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00005 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00014 0.00000 0.00000 0.00000 0.00000 123 3S -0.00113 0.00000 0.00000 0.00000 0.00000 124 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 125 3PY -0.00003 0.00000 0.00000 0.00000 0.00000 126 3PZ -0.00779 0.00000 0.00000 0.00000 0.00000 127 4S -0.00378 -0.00003 -0.00003 -0.00004 0.00000 128 4PX -0.00002 0.00000 0.00000 0.00000 0.00000 129 4PY -0.00010 0.00000 0.00000 0.00000 0.00000 130 4PZ -0.02041 -0.00009 -0.00009 -0.00017 0.00000 131 5XX -0.00008 0.00000 0.00000 0.00000 0.00000 132 5YY -0.00001 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00023 0.00000 0.00000 0.00000 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00004 0.00000 0.00000 0.00000 0.00000 143 3PX -0.00037 0.00000 0.00000 0.00000 0.00000 144 3PY -0.00016 0.00000 0.00000 0.00000 0.00000 145 3PZ -0.00012 0.00000 0.00000 0.00000 0.00000 146 4S 0.00018 0.00000 0.00000 0.00000 0.00000 147 4PX -0.00139 -0.00001 -0.00001 -0.00001 0.00000 148 4PY -0.00029 -0.00001 -0.00001 -0.00001 0.00000 149 4PZ -0.00027 -0.00001 -0.00001 -0.00001 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00006 0.00000 0.00000 0.00000 0.00000 162 3PX -0.00064 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00003 0.00000 0.00000 0.00000 0.00000 164 3PZ -0.00017 0.00000 0.00000 0.00000 0.00000 165 4S 0.00011 0.00000 0.00000 0.00000 0.00000 166 4PX -0.00229 -0.00002 -0.00001 -0.00001 0.00000 167 4PY 0.00025 0.00000 0.00000 0.00000 0.00000 168 4PZ -0.00045 -0.00001 -0.00001 -0.00001 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 11XZ 1.98166 62 11YZ 0.00000 1.98237 63 12XX 0.00000 0.00000 0.09033 64 12YY 0.00000 0.00000 0.02884 0.08703 65 12ZZ 0.00000 0.00000 0.02904 0.02828 0.09367 66 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 67 12XZ 0.00885 0.00000 0.00000 0.00000 0.00000 68 12YZ 0.00000 0.00836 0.00000 0.00000 0.00000 69 4 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 3S 0.00000 0.00000 0.00000 0.00000 0.00000 72 4S 0.00000 0.00000 0.00000 0.00000 0.00000 73 5S 0.00000 0.00000 0.00000 0.00000 0.00000 74 6S 0.00000 0.00000 -0.00011 -0.00003 -0.00003 75 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9PX 0.00000 0.00000 0.00001 0.00000 0.00000 82 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 83 9PZ 0.00000 0.00000 0.00001 0.00000 0.00000 84 10PX 0.00000 0.00000 0.00017 0.00001 -0.00008 85 10PY 0.00000 0.00000 -0.00008 -0.00003 -0.00005 86 10PZ 0.00000 0.00000 0.00024 0.00002 0.00000 87 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 88 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 89 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX 0.00000 0.00000 0.00002 0.00001 0.00001 94 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 12ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 96 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00001 0.00000 106 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 107 3PZ 0.00000 0.00000 0.00001 0.00001 0.00000 108 4S 0.00000 0.00000 -0.00003 -0.00002 -0.00002 109 4PX 0.00000 0.00000 0.00004 0.00015 -0.00002 110 4PY 0.00000 0.00000 -0.00006 -0.00009 -0.00009 111 4PZ 0.00000 0.00000 0.00004 0.00009 -0.00002 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 -0.00005 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00001 127 4S 0.00000 0.00000 -0.00009 -0.00011 -0.00089 128 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 129 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 4PZ 0.00000 0.00000 -0.00044 -0.00029 -0.00104 131 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00001 0.00000 144 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 145 3PZ 0.00000 0.00000 0.00001 0.00001 0.00000 146 4S 0.00000 0.00000 -0.00003 -0.00003 -0.00001 147 4PX 0.00000 0.00000 0.00004 0.00016 -0.00001 148 4PY 0.00000 0.00000 -0.00006 -0.00010 -0.00009 149 4PZ 0.00000 0.00000 0.00006 0.00011 -0.00001 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 163 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00002 0.00000 0.00000 165 4S 0.00000 0.00000 -0.00007 -0.00001 -0.00002 166 4PX 0.00000 0.00000 0.00011 0.00002 -0.00006 167 4PY 0.00000 0.00000 -0.00007 -0.00002 -0.00004 168 4PZ 0.00000 0.00000 0.00020 0.00001 -0.00001 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 12XY 0.00141 67 12XZ 0.00000 0.00557 68 12YZ 0.00000 0.00000 0.00349 69 4 Br 1S 0.00000 0.00000 0.00000 2.39616 70 2S 0.00000 0.00000 0.00000 -0.50323 4.75234 71 3S 0.00000 0.00000 0.00000 0.07239 -1.88742 72 4S 0.00000 0.00000 0.00000 0.06063 -1.79408 73 5S 0.00000 0.00000 0.00000 0.00348 -0.08530 74 6S 0.00000 -0.00002 -0.00002 0.00279 -0.08158 75 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 82 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 83 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10PX 0.00009 0.00006 0.00001 0.00000 0.00000 85 10PY 0.00000 0.00001 0.00000 0.00000 0.00000 86 10PZ 0.00007 -0.00001 0.00000 0.00000 0.00000 87 11XX 0.00000 0.00000 0.00000 -0.00973 0.59280 88 11YY 0.00000 0.00000 0.00000 -0.00972 0.59261 89 11ZZ 0.00000 0.00000 0.00000 -0.00973 0.59304 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX 0.00000 0.00000 0.00000 -0.00001 0.00184 94 12YY 0.00000 0.00000 0.00000 -0.00001 0.00186 95 12ZZ 0.00000 0.00000 0.00000 -0.00001 0.00184 96 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 108 4S -0.00002 -0.00001 -0.00004 0.00000 0.00000 109 4PX 0.00004 0.00001 0.00003 0.00000 0.00000 110 4PY 0.00003 0.00002 -0.00001 0.00000 0.00000 111 4PZ 0.00012 -0.00001 0.00001 0.00000 0.00000 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4S 0.00000 0.00000 0.00000 0.00000 0.00000 128 4PX 0.00000 0.00006 0.00000 0.00000 -0.00001 129 4PY 0.00000 0.00000 0.00001 0.00000 0.00000 130 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 146 4S -0.00002 -0.00001 -0.00004 0.00000 0.00000 147 4PX 0.00004 0.00001 0.00002 0.00000 0.00000 148 4PY 0.00004 0.00002 -0.00001 0.00000 0.00000 149 4PZ 0.00011 -0.00001 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 -0.00003 -0.00002 0.00000 0.00000 166 4PX 0.00004 0.00005 0.00001 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00006 -0.00001 0.00001 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 3S 2.01369 72 4S 2.63335 4.46556 73 5S 0.03001 -0.04587 1.01407 74 6S 0.10510 0.22945 0.54616 0.62196 75 7PX 0.00000 0.00000 0.00000 0.00000 2.30303 76 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 8PX 0.00000 0.00000 0.00000 0.00000 -0.30846 79 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9PX 0.00000 0.00000 0.00000 0.00000 0.00158 82 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 83 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 10PX 0.00000 0.00000 0.00000 0.00000 0.00080 85 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 86 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 11XX -0.73026 -1.23062 -0.08355 -0.12054 0.00000 88 11YY -0.73013 -1.22990 -0.08244 -0.12290 0.00000 89 11ZZ -0.73094 -1.23203 -0.07923 -0.12596 0.00000 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX -0.01044 -0.05386 -0.01245 -0.08908 0.00000 94 12YY -0.01051 -0.05427 -0.01235 -0.08819 0.00000 95 12ZZ -0.01037 -0.05343 -0.01710 -0.08635 0.00000 96 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00003 0.00000 105 3PX 0.00000 0.00000 0.00000 -0.00015 0.00000 106 3PY 0.00000 0.00000 0.00000 -0.00009 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4S 0.00000 -0.00001 0.00004 -0.00010 0.00000 109 4PX 0.00000 0.00001 0.00002 -0.00098 0.00000 110 4PY 0.00001 0.00004 -0.00007 -0.00060 0.00000 111 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00000 0.00000 0.00000 -0.00001 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00003 0.00000 124 3PX 0.00000 0.00000 0.00000 -0.00008 0.00000 125 3PY 0.00000 0.00000 0.00000 -0.00011 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00005 0.00000 127 4S 0.00000 0.00001 0.00001 0.00011 0.00000 128 4PX 0.00002 0.00006 -0.00010 -0.00007 0.00000 129 4PY 0.00000 0.00001 -0.00001 -0.00057 0.00000 130 4PZ 0.00000 0.00000 -0.00004 0.00026 0.00000 131 5XX 0.00000 0.00000 0.00000 -0.00001 0.00000 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.00000 -0.00001 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 7PY 2.30285 77 7PZ 0.00000 2.30487 78 8PX 0.00000 0.00000 2.45292 79 8PY -0.30822 0.00000 0.00000 2.45031 80 8PZ 0.00000 -0.31037 0.00000 0.00000 2.46797 81 9PX 0.00000 0.00000 -0.11379 0.00000 0.00000 82 9PY 0.00157 0.00000 0.00000 -0.11196 0.00000 83 9PZ 0.00000 0.00190 0.00000 0.00000 -0.12394 84 10PX 0.00000 0.00000 -0.03268 0.00000 0.00000 85 10PY 0.00075 0.00000 0.00000 -0.03173 0.00000 86 10PZ 0.00000 0.00087 0.00000 0.00000 -0.03873 87 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 88 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 89 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4S 0.00000 0.00000 0.00000 0.00000 0.00000 109 4PX 0.00000 0.00000 0.00000 0.00001 0.00000 110 4PY 0.00000 0.00000 0.00000 0.00004 0.00000 111 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4S 0.00000 0.00000 0.00001 0.00000 0.00000 128 4PX 0.00000 0.00000 0.00003 0.00000 0.00002 129 4PY 0.00000 0.00000 0.00001 0.00000 0.00000 130 4PZ 0.00000 0.00000 0.00001 0.00000 0.00000 131 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 9PX 0.66005 82 9PY 0.00000 0.64908 83 9PZ 0.00000 0.00000 0.70578 84 10PX 0.32139 0.00000 0.00000 0.36816 85 10PY 0.00000 0.31415 0.00000 0.00000 0.35941 86 10PZ 0.00000 0.00000 0.38983 0.00000 0.00000 87 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 88 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 89 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00001 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00002 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00002 -0.00028 105 3PX 0.00000 0.00000 0.00000 0.00000 -0.00037 106 3PY 0.00000 -0.00002 0.00000 -0.00003 -0.00189 107 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 108 4S 0.00007 -0.00021 0.00000 0.00058 -0.00184 109 4PX 0.00000 -0.00025 0.00000 -0.00012 -0.00203 110 4PY 0.00000 -0.00131 -0.00001 0.00030 -0.00712 111 4PZ 0.00000 -0.00001 -0.00009 0.00001 -0.00005 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00001 113 5YY 0.00000 0.00000 0.00000 -0.00001 0.00004 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00001 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00001 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 123 3S 0.00000 0.00000 0.00000 -0.00028 -0.00003 124 3PX -0.00001 0.00000 -0.00001 -0.00110 -0.00018 125 3PY 0.00000 0.00000 0.00000 -0.00033 0.00000 126 3PZ -0.00001 0.00000 0.00000 -0.00042 0.00000 127 4S -0.00028 0.00007 -0.00017 -0.00191 0.00057 128 4PX -0.00101 -0.00005 -0.00048 -0.00459 -0.00008 129 4PY -0.00018 0.00000 0.00002 -0.00127 0.00001 130 4PZ -0.00042 0.00002 -0.00005 -0.00203 0.00024 131 5XX 0.00000 0.00000 0.00000 0.00005 0.00001 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 0.00000 -0.00002 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00002 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00002 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 -0.00001 0.00000 147 4PX 0.00000 0.00000 0.00000 0.00001 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 10PZ 0.49573 87 11XX 0.00000 2.71504 88 11YY 0.00000 -0.08606 2.71478 89 11ZZ 0.00000 -0.08596 -0.08598 2.71641 90 11XY 0.00000 0.00000 0.00000 0.00000 1.98203 91 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 12XX 0.00000 0.05540 0.01428 0.01451 0.00000 94 12YY 0.00000 0.01432 0.05599 0.01460 0.00000 95 12ZZ 0.00000 0.01421 0.01428 0.05590 0.00000 96 12XY 0.00000 0.00000 0.00000 0.00000 0.00868 97 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 107 3PZ -0.00011 0.00000 0.00000 0.00000 0.00000 108 4S -0.00001 0.00000 0.00001 0.00000 0.00000 109 4PX 0.00000 0.00000 -0.00001 0.00000 0.00000 110 4PY -0.00006 -0.00001 -0.00002 -0.00001 0.00000 111 4PZ -0.00122 0.00000 0.00000 0.00000 0.00000 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00001 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S -0.00019 0.00000 0.00000 0.00000 0.00000 124 3PX -0.00056 0.00000 0.00000 0.00000 0.00000 125 3PY -0.00005 0.00000 0.00000 0.00000 0.00000 126 3PZ -0.00005 0.00000 0.00000 0.00000 0.00000 127 4S -0.00133 -0.00001 -0.00001 -0.00001 0.00000 128 4PX -0.00267 -0.00003 -0.00002 -0.00002 0.00000 129 4PY 0.00014 -0.00001 0.00000 0.00000 0.00000 130 4PZ -0.00012 0.00000 0.00000 0.00000 0.00000 131 5XX 0.00005 0.00000 0.00000 0.00000 0.00000 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 134 5XY 0.00001 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 11XZ 1.98245 92 11YZ 0.00000 1.98238 93 12XX 0.00000 0.00000 0.08691 94 12YY 0.00000 0.00000 0.02756 0.08766 95 12ZZ 0.00000 0.00000 0.02730 0.02740 0.08266 96 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 12XZ 0.00832 0.00000 0.00000 0.00000 0.00000 98 12YZ 0.00000 0.00835 0.00000 0.00000 0.00000 99 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00001 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4S 0.00000 0.00000 0.00004 0.00001 0.00002 109 4PX 0.00000 0.00000 0.00001 0.00013 0.00002 110 4PY 0.00000 0.00000 0.00000 0.00003 -0.00003 111 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4S 0.00000 0.00000 -0.00012 -0.00001 -0.00003 128 4PX 0.00000 0.00000 -0.00019 -0.00006 -0.00008 129 4PY 0.00000 0.00000 0.00002 0.00000 0.00002 130 4PZ 0.00000 0.00000 -0.00006 0.00000 -0.00002 131 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 12XY 0.00302 97 12XZ 0.00000 0.00210 98 12YZ 0.00000 0.00000 0.00222 99 5 Cl 1S 0.00000 0.00000 0.00000 2.16061 100 2S 0.00000 0.00000 0.00000 -0.16507 2.38954 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00052 -0.14834 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4S 0.00000 0.00000 0.00000 0.00245 -0.07613 109 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 4PY 0.00002 0.00000 0.00000 0.00000 0.00000 111 4PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 112 5XX 0.00000 0.00000 0.00000 0.00006 -0.00373 113 5YY 0.00000 0.00000 0.00000 0.00006 -0.00481 114 5ZZ 0.00000 0.00000 0.00000 0.00006 -0.00370 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4S 0.00000 -0.00003 -0.00001 0.00000 0.00000 128 4PX 0.00001 0.00002 -0.00002 0.00000 0.00000 129 4PY 0.00000 0.00004 0.00000 0.00000 0.00001 130 4PZ 0.00001 0.00001 0.00000 0.00000 0.00000 131 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 2PX 2.11756 102 2PY 0.00000 2.09759 103 2PZ 0.00000 0.00000 2.11787 104 3S 0.00000 0.00000 0.00000 1.20464 105 3PX -0.10913 0.00000 0.00000 0.00000 1.00764 106 3PY 0.00000 -0.09121 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 -0.10915 0.00000 0.00000 108 4S 0.00000 0.00000 0.00000 0.42070 0.00000 109 4PX -0.01564 0.00000 0.00000 0.00000 0.31639 110 4PY 0.00000 -0.01034 0.00000 0.00000 0.00000 111 4PZ 0.00000 0.00000 -0.01624 0.00000 0.00000 112 5XX 0.00000 0.00000 0.00000 -0.01345 0.00000 113 5YY 0.00000 0.00000 0.00000 -0.00341 0.00000 114 5ZZ 0.00000 0.00000 0.00000 -0.01368 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 125 3PY 0.00000 0.00000 0.00000 0.00000 -0.00002 126 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 127 4S 0.00000 0.00000 0.00000 0.00003 -0.00034 128 4PX 0.00000 0.00001 0.00001 -0.00005 -0.00033 129 4PY 0.00001 0.00001 0.00000 -0.00022 -0.00078 130 4PZ 0.00000 0.00000 0.00000 -0.00001 -0.00034 131 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 3PY 0.85752 107 3PZ 0.00000 1.00355 108 4S 0.00000 0.00000 0.24455 109 4PX 0.00000 0.00000 0.00000 0.25854 110 4PY 0.20165 0.00000 0.00000 0.00000 0.12639 111 4PZ 0.00000 0.33325 0.00000 0.00000 0.00000 112 5XX 0.00000 0.00000 -0.00306 0.00000 0.00000 113 5YY 0.00000 0.00000 -0.00405 0.00000 0.00000 114 5ZZ 0.00000 0.00000 -0.00258 0.00000 0.00000 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 121 2PY 0.00000 0.00000 0.00000 0.00001 0.00001 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00005 -0.00012 -0.00015 124 3PX -0.00002 -0.00001 0.00002 -0.00018 -0.00044 125 3PY -0.00001 -0.00001 -0.00027 -0.00070 -0.00046 126 3PZ -0.00001 0.00000 0.00005 -0.00023 -0.00011 127 4S 0.00002 -0.00023 0.00009 -0.00136 0.00013 128 4PX -0.00047 -0.00042 0.00020 -0.00076 -0.00115 129 4PY -0.00042 -0.00022 -0.00102 -0.00281 -0.00115 130 4PZ -0.00014 -0.00004 0.00022 -0.00110 -0.00015 131 5XX 0.00000 0.00000 0.00000 0.00000 0.00001 132 5YY 0.00000 0.00000 0.00000 0.00003 0.00000 133 5ZZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 134 5XY 0.00000 0.00000 0.00000 0.00001 0.00001 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 -0.00001 0.00001 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00002 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 4PZ 0.28644 112 5XX 0.00000 0.00125 113 5YY 0.00000 -0.00007 0.00341 114 5ZZ 0.00000 0.00035 -0.00007 0.00115 115 5XY 0.00000 0.00000 0.00000 0.00000 0.00130 116 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00001 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S -0.00016 0.00000 0.00000 0.00000 0.00000 124 3PX -0.00029 0.00000 0.00000 0.00000 0.00000 125 3PY -0.00026 0.00000 0.00000 0.00000 0.00000 126 3PZ -0.00002 0.00000 0.00000 0.00000 0.00000 127 4S -0.00104 0.00000 0.00000 0.00000 -0.00001 128 4PX -0.00145 0.00000 0.00000 0.00000 0.00000 129 4PY -0.00064 0.00002 0.00000 0.00001 0.00000 130 4PZ -0.00003 0.00000 0.00000 0.00000 0.00000 131 5XX 0.00001 0.00000 0.00000 0.00000 0.00000 132 5YY 0.00001 0.00000 0.00000 0.00000 0.00000 133 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 5XY 0.00002 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 5XZ 0.00011 117 5YZ 0.00000 0.00107 118 6 Cl 1S 0.00000 0.00000 2.16061 119 2S 0.00000 0.00000 -0.16505 2.38915 120 2PX 0.00000 0.00000 0.00000 0.00000 2.10343 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00052 -0.14793 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 -0.09731 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4S 0.00000 0.00000 0.00250 -0.07781 0.00000 128 4PX 0.00000 0.00000 0.00000 0.00000 -0.01301 129 4PY 0.00001 0.00001 0.00000 0.00000 0.00000 130 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 5XX 0.00000 0.00000 0.00006 -0.00496 0.00000 132 5YY 0.00000 0.00000 0.00006 -0.00344 0.00000 133 5ZZ 0.00000 0.00000 0.00006 -0.00443 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00001 0.00002 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00001 0.00001 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 2PY 2.12359 122 2PZ 0.00000 2.10884 123 3S 0.00000 0.00000 1.20758 124 3PX 0.00000 0.00000 0.00000 0.92071 125 3PY -0.11473 0.00000 0.00000 0.00000 1.05567 126 3PZ 0.00000 -0.10191 0.00000 0.00000 0.00000 127 4S 0.00000 0.00000 0.42811 0.00000 0.00000 128 4PX 0.00000 0.00000 0.00000 0.24499 0.00000 129 4PY -0.01641 0.00000 0.00000 0.00000 0.33623 130 4PZ 0.00000 -0.01330 0.00000 0.00000 0.00000 131 5XX 0.00000 0.00000 -0.00161 0.00000 0.00000 132 5YY 0.00000 0.00000 -0.01553 0.00000 0.00000 133 5ZZ 0.00000 0.00000 -0.00786 0.00000 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 -0.00001 -0.00002 144 3PY 0.00000 0.00000 0.00000 -0.00002 -0.00001 145 3PZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 146 4S 0.00000 0.00000 0.00005 0.00002 -0.00023 147 4PX 0.00001 0.00000 -0.00013 -0.00025 -0.00065 148 4PY 0.00000 0.00000 -0.00011 -0.00038 -0.00029 149 4PZ 0.00000 0.00000 -0.00017 -0.00035 -0.00024 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 162 3PX 0.00000 0.00000 -0.00001 -0.00004 -0.00001 163 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 164 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 165 4S 0.00000 0.00000 0.00005 -0.00010 -0.00012 166 4PX 0.00001 0.00000 -0.00022 -0.00117 -0.00039 167 4PY 0.00000 0.00000 -0.00004 -0.00020 0.00000 168 4PZ 0.00000 0.00000 -0.00014 -0.00046 -0.00003 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 3PZ 0.95175 127 4S 0.00000 0.24780 128 4PX 0.00000 0.00000 0.17402 129 4PY 0.00000 0.00000 0.00000 0.27823 130 4PZ 0.26589 0.00000 0.00000 0.00000 0.19519 131 5XX 0.00000 0.00017 0.00000 0.00000 0.00000 132 5YY 0.00000 -0.00461 0.00000 0.00000 0.00000 133 5ZZ 0.00000 -0.00241 0.00000 0.00000 0.00000 134 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00001 0.00000 139 2PX 0.00000 0.00000 0.00001 0.00001 0.00001 140 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 142 3S 0.00000 0.00003 -0.00005 -0.00019 -0.00002 143 3PX -0.00001 -0.00038 -0.00047 -0.00071 -0.00042 144 3PY -0.00001 0.00007 -0.00036 -0.00026 -0.00011 145 3PZ 0.00000 -0.00023 -0.00049 -0.00019 -0.00005 146 4S 0.00004 0.00010 0.00022 -0.00091 0.00018 147 4PX -0.00030 -0.00153 -0.00112 -0.00258 -0.00139 148 4PY -0.00010 0.00034 -0.00081 -0.00073 -0.00008 149 4PZ -0.00003 -0.00106 -0.00170 -0.00057 -0.00007 150 5XX 0.00000 0.00000 0.00000 0.00002 0.00000 151 5YY 0.00000 0.00000 0.00000 -0.00001 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 153 5XY 0.00000 -0.00001 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00002 0.00001 0.00001 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 161 3S 0.00000 0.00003 -0.00017 -0.00008 -0.00001 162 3PX -0.00001 -0.00042 -0.00159 -0.00034 -0.00044 163 3PY 0.00000 0.00010 -0.00010 0.00000 0.00003 164 3PZ 0.00000 -0.00021 -0.00059 0.00001 -0.00003 165 4S 0.00006 0.00010 -0.00025 -0.00049 0.00023 166 4PX -0.00031 -0.00167 -0.00444 -0.00140 -0.00130 167 4PY 0.00002 0.00044 -0.00014 -0.00001 0.00023 168 4PZ -0.00001 -0.00096 -0.00206 0.00009 0.00000 169 5XX 0.00000 -0.00001 0.00001 0.00001 0.00000 170 5YY 0.00000 0.00001 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00001 0.00001 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 133 134 135 131 5XX 0.00095 132 5YY 0.00021 0.00139 133 5ZZ 0.00009 -0.00003 0.00274 134 5XY 0.00000 0.00000 0.00000 0.00028 135 5XZ 0.00000 0.00000 0.00000 0.00000 0.00272 136 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00003 -0.00001 0.00002 0.00000 148 4PY 0.00001 0.00000 -0.00001 0.00001 0.00000 149 4PZ 0.00001 0.00001 0.00000 0.00002 0.00000 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S -0.00001 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00005 0.00000 -0.00002 0.00002 0.00001 167 4PY 0.00001 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00004 0.00000 0.00000 0.00001 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 137 138 139 140 136 5YZ 0.00109 137 7 Cl 1S 0.00000 2.16060 138 2S 0.00000 -0.16506 2.38944 139 2PX 0.00000 0.00000 0.00000 2.11697 140 2PY 0.00000 0.00000 0.00000 0.00000 2.09812 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00052 -0.14828 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 -0.10859 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 -0.09167 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S -0.00001 0.00244 -0.07601 0.00000 0.00000 147 4PX 0.00001 0.00000 0.00000 -0.01553 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 -0.01043 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00006 -0.00375 0.00000 0.00000 151 5YY 0.00000 0.00006 -0.00479 0.00000 0.00000 152 5ZZ 0.00000 0.00006 -0.00370 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00001 0.00000 0.00003 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 145 141 2PZ 2.11799 142 3S 0.00000 1.20419 143 3PX 0.00000 0.00000 1.00304 144 3PY 0.00000 0.00000 0.00000 0.86116 145 3PZ -0.10926 0.00000 0.00000 0.00000 1.00461 146 4S 0.00000 0.42016 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.31391 0.00000 0.00000 148 4PY 0.00000 0.00000 0.00000 0.20398 0.00000 149 4PZ -0.01624 0.00000 0.00000 0.00000 0.33326 150 5XX 0.00000 -0.01324 0.00000 0.00000 0.00000 151 5YY 0.00000 -0.00356 0.00000 0.00000 0.00000 152 5ZZ 0.00000 -0.01372 0.00000 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 -0.00001 0.00000 -0.00006 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S 0.00000 0.00006 -0.00012 -0.00014 0.00000 166 4PX 0.00000 0.00003 -0.00002 0.00003 0.00000 167 4PY 0.00000 -0.00028 -0.00032 -0.00216 -0.00001 168 4PZ 0.00000 0.00000 0.00000 -0.00001 -0.00016 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 147 148 149 150 146 4S 0.24399 147 4PX 0.00000 0.25577 148 4PY 0.00000 0.00000 0.12918 149 4PZ 0.00000 0.00000 0.00000 0.28588 150 5XX -0.00306 0.00000 0.00000 0.00000 0.00126 151 5YY -0.00409 0.00000 0.00000 0.00000 -0.00005 152 5ZZ -0.00256 0.00000 0.00000 0.00000 0.00034 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00006 -0.00005 -0.00019 0.00000 0.00000 162 3PX 0.00010 -0.00002 0.00004 0.00000 0.00000 163 3PY -0.00037 -0.00032 -0.00218 -0.00001 0.00000 164 3PZ 0.00000 0.00000 -0.00001 -0.00016 0.00000 165 4S 0.00011 -0.00058 -0.00059 -0.00002 0.00000 166 4PX 0.00047 -0.00023 0.00046 -0.00001 0.00000 167 4PY -0.00166 -0.00155 -0.00707 -0.00006 0.00001 168 4PZ 0.00001 -0.00001 -0.00002 -0.00129 0.00000 169 5XX 0.00001 0.00000 0.00000 0.00000 0.00000 170 5YY -0.00002 0.00001 0.00004 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 5YY 0.00334 152 5ZZ -0.00006 0.00114 153 5XY 0.00000 0.00000 0.00136 154 5XZ 0.00000 0.00000 0.00000 0.00013 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00103 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4S -0.00001 0.00000 0.00000 0.00000 0.00000 166 4PX -0.00001 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00004 0.00000 0.00001 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 157 158 159 160 156 8 Cl 1S 2.16061 157 2S -0.16506 2.38944 158 2PX 0.00000 0.00000 2.10832 159 2PY 0.00000 0.00000 0.00000 2.10695 160 2PZ 0.00000 0.00000 0.00000 0.00000 2.11780 161 3S 0.00052 -0.14830 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 -0.10084 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 -0.09959 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.10910 165 4S 0.00244 -0.07597 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 -0.01324 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 -0.01274 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 -0.01619 169 5XX 0.00006 -0.00423 0.00000 0.00000 0.00000 170 5YY 0.00006 -0.00431 0.00000 0.00000 0.00000 171 5ZZ 0.00006 -0.00371 0.00000 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 162 163 164 165 161 3S 1.20436 162 3PX 0.00000 0.93857 163 3PY 0.00000 0.00000 0.92708 164 3PZ 0.00000 0.00000 0.00000 1.00335 165 4S 0.42006 0.00000 0.00000 0.00000 0.24414 166 4PX 0.00000 0.26320 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.25511 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.33220 0.00000 169 5XX -0.00884 0.00000 0.00000 0.00000 -0.00368 170 5YY -0.00802 0.00000 0.00000 0.00000 -0.00348 171 5ZZ -0.01363 0.00000 0.00000 0.00000 -0.00256 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 4PX 0.19655 167 4PY 0.00000 0.18877 168 4PZ 0.00000 0.00000 0.28457 169 5XX 0.00000 0.00000 0.00000 0.00184 170 5YY 0.00000 0.00000 0.00000 0.00008 0.00197 171 5ZZ 0.00000 0.00000 0.00000 0.00016 0.00012 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 172 173 174 171 5ZZ 0.00114 172 5XY 0.00000 0.00186 173 5XZ 0.00000 0.00000 0.00057 174 5YZ 0.00000 0.00000 0.00000 0.00062 Gross orbital populations: 1 1 1 Al 1S 1.99884 2 2S 1.99024 3 2PX 1.98734 4 2PY 1.98851 5 2PZ 1.98724 6 3S 0.88352 7 3PX 0.41280 8 3PY 0.49637 9 3PZ 0.32910 10 4S -0.03931 11 4PX 0.09504 12 4PY 0.05485 13 4PZ 0.07612 14 5XX 0.01086 15 5YY 0.05807 16 5ZZ -0.01852 17 5XY 0.07887 18 5XZ 0.06906 19 5YZ 0.04791 20 2 Al 1S 1.99883 21 2S 1.99019 22 2PX 1.98746 23 2PY 1.98860 24 2PZ 1.98730 25 3S 0.87507 26 3PX 0.41891 27 3PY 0.49700 28 3PZ 0.33538 29 4S -0.05980 30 4PX 0.07906 31 4PY 0.03007 32 4PZ 0.06747 33 5XX 0.01799 34 5YY 0.06365 35 5ZZ -0.01771 36 5XY 0.08702 37 5XZ 0.07267 38 5YZ 0.05022 39 3 Br 1S 2.00288 40 2S 2.19149 41 3S 0.73236 42 4S 1.66214 43 5S 1.21315 44 6S 0.66088 45 7PX 1.99684 46 7PY 1.99729 47 7PZ 1.99697 48 8PX 1.99272 49 8PY 1.99392 50 8PZ 1.99291 51 9PX 0.92708 52 9PY 1.03474 53 9PZ 0.94390 54 10PX 0.72167 55 10PY 0.87384 56 10PZ 0.70952 57 11XX 1.05624 58 11YY 1.05726 59 11ZZ 1.05634 60 11XY 1.99066 61 11XZ 1.99010 62 11YZ 1.99065 63 12XX 0.10279 64 12YY 0.07718 65 12ZZ 0.10823 66 12XY 0.01136 67 12XZ 0.02509 68 12YZ 0.01437 69 4 Br 1S 2.00285 70 2S 2.19069 71 3S 0.73306 72 4S 1.66325 73 5S 1.19772 74 6S 0.70562 75 7PX 1.99701 76 7PY 1.99703 77 7PZ 1.99728 78 8PX 1.99303 79 8PY 1.99295 80 8PZ 1.99368 81 9PX 0.94519 82 9PY 0.93392 83 9PZ 0.99634 84 10PX 0.74238 85 10PY 0.73156 86 10PZ 0.89289 87 11XX 1.05607 88 11YY 1.05617 89 11ZZ 1.05670 90 11XY 1.99035 91 11XZ 1.99073 92 11YZ 1.99069 93 12XX 0.08921 94 12YY 0.09216 95 12ZZ 0.07272 96 12XY 0.01834 97 12XZ 0.01193 98 12YZ 0.01203 99 5 Cl 1S 1.99864 100 2S 1.98843 101 2PX 1.99154 102 2PY 1.99013 103 2PZ 1.99171 104 3S 1.45752 105 3PX 1.25953 106 3PY 1.12703 107 3PZ 1.25773 108 4S 0.53741 109 4PX 0.59775 110 4PY 0.39609 111 4PZ 0.63684 112 5XX -0.01974 113 5YY 0.00068 114 5ZZ -0.02029 115 5XY 0.00291 116 5XZ 0.00022 117 5YZ 0.00195 118 6 Cl 1S 1.99865 119 2S 1.98851 120 2PX 1.99018 121 2PY 1.99192 122 2PZ 1.99087 123 3S 1.45628 124 3PX 1.17568 125 3PY 1.30040 126 3PZ 1.20587 127 4S 0.53715 128 4PX 0.45752 129 4PY 0.61288 130 4PZ 0.48437 131 5XX -0.00410 132 5YY -0.02277 133 5ZZ -0.00731 134 5XY 0.00078 135 5XZ 0.00670 136 5YZ 0.00187 137 7 Cl 1S 1.99864 138 2S 1.98842 139 2PX 1.99150 140 2PY 1.99017 141 2PZ 1.99171 142 3S 1.45730 143 3PX 1.25559 144 3PY 1.13075 145 3PZ 1.25864 146 4S 0.53715 147 4PX 0.59430 148 4PY 0.40084 149 4PZ 0.63709 150 5XX -0.01937 151 5YY 0.00022 152 5ZZ -0.02035 153 5XY 0.00314 154 5XZ 0.00025 155 5YZ 0.00185 156 8 Cl 1S 1.99864 157 2S 1.98842 158 2PX 1.99086 159 2PY 1.99081 160 2PZ 1.99170 161 3S 1.45740 162 3PX 1.19859 163 3PY 1.18899 164 3PZ 1.25741 165 4S 0.53680 166 4PX 0.50457 167 4PY 0.49112 168 4PZ 0.63517 169 5XX -0.01155 170 5YY -0.00986 171 5ZZ -0.02022 172 5XY 0.00521 173 5XZ 0.00107 174 5YZ 0.00113 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Al 11.246861 -0.017947 0.222170 0.461772 0.411145 0.189656 2 Al -0.017947 11.236989 0.228959 -0.003401 -0.003361 0.198707 3 Br 0.222170 0.228959 34.794043 -0.018968 -0.018982 -0.046186 4 Br 0.461772 -0.003401 -0.018968 34.741275 -0.017582 -0.019563 5 Cl 0.411145 -0.003361 -0.018982 -0.017582 16.843971 -0.019132 6 Cl 0.189656 0.198707 -0.046186 -0.019563 -0.019132 16.898849 7 Cl -0.003301 0.414547 -0.018213 -0.000006 -0.000003 -0.018505 8 Cl -0.003459 0.414903 -0.018246 -0.000002 0.000013 -0.018395 7 8 1 Al -0.003301 -0.003459 2 Al 0.414547 0.414903 3 Br -0.018213 -0.018246 4 Br -0.000006 -0.000002 5 Cl -0.000003 0.000013 6 Cl -0.018505 -0.018395 7 Cl 16.841458 -0.018151 8 Cl -0.018151 16.839624 Mulliken charges: 1 1 Al 0.493103 2 Al 0.530605 3 Br -0.124576 4 Br -0.143524 5 Cl -0.196068 6 Cl -0.165430 7 Cl -0.197825 8 Cl -0.196285 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 Al 0.493103 2 Al 0.530605 3 Br -0.124576 4 Br -0.143524 5 Cl -0.196068 6 Cl -0.165430 7 Cl -0.197825 8 Cl -0.196285 APT charges: 1 1 Al 1.741139 2 Al 1.794095 3 Br -0.587881 4 Br -0.490376 5 Cl -0.587831 6 Cl -0.703465 7 Cl -0.581627 8 Cl -0.584055 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 Al 1.741139 2 Al 1.794095 3 Br -0.587881 4 Br -0.490376 5 Cl -0.587831 6 Cl -0.703465 7 Cl -0.581627 8 Cl -0.584055 Electronic spatial extent (au): = 4295.5379 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.5773 Y= -0.3307 Z= 0.8190 Tot= 1.0552 Quadrupole moment (field-independent basis, Debye-Ang): XX= -121.0449 YY= -119.9756 ZZ= -107.2791 XY= -1.9670 XZ= -0.7300 YZ= 0.8104 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -4.9450 YY= -3.8757 ZZ= 8.8208 XY= -1.9670 XZ= -0.7300 YZ= 0.8104 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 81.1749 YYY= -29.3477 ZZZ= 41.4463 XYY= 26.1689 XXY= -13.7316 XXZ= 16.9110 XZZ= 18.7167 YZZ= -7.2945 YYZ= 14.9258 XYZ= 0.3156 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -3105.4383 YYYY= -1315.2252 ZZZZ= -656.2946 XXXY= -104.5295 XXXZ= -33.7529 YYYX= -115.2667 YYYZ= 12.8775 ZZZX= -25.6622 ZZZY= 14.8150 XXYY= -744.1049 XXZZ= -601.8425 YYZZ= -334.3402 XXYZ= 7.0449 YYXZ= -8.2646 ZZXY= -24.8925 N-N= 1.736382886630D+03 E-N=-2.126794353633D+04 KE= 7.430170057487D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -482.982185 583.729413 2 O -482.928674 583.719577 3 O -101.603276 136.906423 4 O -101.550647 136.906805 5 O -101.550315 136.906806 6 O -101.550103 136.906805 7 O -61.944210 119.421896 8 O -61.891128 119.439725 9 O -56.460555 117.120944 10 O -56.460179 117.129560 11 O -56.458766 117.140175 12 O -56.408042 117.127285 13 O -56.406234 117.138408 14 O -56.406174 117.143226 15 O -56.169723 79.150499 16 O -56.167975 79.150127 17 O -9.523630 21.541945 18 O -9.469229 21.543990 19 O -9.468899 21.544001 20 O -9.468692 21.544011 21 O -8.653108 27.591899 22 O -8.600449 27.595138 23 O -7.282465 20.533837 24 O -7.281522 20.541472 25 O -7.278131 20.547925 26 O -7.229610 20.537830 27 O -7.229276 20.537724 28 O -7.229071 20.537842 29 O -7.224986 20.549508 30 O -7.224778 20.547439 31 O -7.224667 20.549187 32 O -7.224458 20.549732 33 O -7.224444 20.547431 34 O -7.224234 20.547712 35 O -6.599548 26.129810 36 O -6.599176 26.133619 37 O -6.593948 26.144740 38 O -6.549460 26.129781 39 O -6.542851 26.145270 40 O -6.542592 26.143304 41 O -4.247063 10.773327 42 O -4.245595 10.772523 43 O -2.801629 9.815781 44 O -2.800770 9.808349 45 O -2.800232 9.815674 46 O -2.799268 9.807712 47 O -2.798950 9.807324 48 O -2.797489 9.806671 49 O -2.717751 21.383817 50 O -2.717594 21.392335 51 O -2.713383 21.398379 52 O -2.713097 21.397987 53 O -2.711858 21.396503 54 O -2.665925 21.384477 55 O -2.663990 21.394587 56 O -2.663775 21.394216 57 O -2.658494 21.402985 58 O -2.658490 21.403034 59 O -0.893547 2.991962 60 O -0.840809 3.396774 61 O -0.833608 3.106407 62 O -0.827455 3.351730 63 O -0.825226 3.139498 64 O -0.782530 3.764743 65 O -0.499645 2.041680 66 O -0.494658 2.193709 67 O -0.442892 2.119738 68 O -0.426664 2.211980 69 O -0.421887 2.114731 70 O -0.401338 2.332837 71 O -0.394501 2.433825 72 O -0.393104 2.424515 73 O -0.383131 2.333520 74 O -0.365234 2.426354 75 O -0.353420 2.176174 76 O -0.351759 2.215258 77 O -0.345590 2.279341 78 O -0.343743 2.304307 79 O -0.339103 2.361275 80 O -0.333622 2.384453 81 O -0.321692 2.418660 82 O -0.318102 2.453053 83 V -0.054650 2.424366 84 V -0.046401 2.562455 85 V -0.026729 1.546165 86 V 0.016202 1.482499 87 V 0.022233 1.476225 88 V 0.031069 1.479004 89 V 0.036057 1.737595 90 V 0.048373 1.281702 91 V 0.080152 1.154191 92 V 0.108529 1.046121 93 V 0.133319 1.427565 94 V 0.145195 1.254891 95 V 0.150788 1.405616 96 V 0.161863 1.433190 97 V 0.182094 1.534078 98 V 0.199411 1.218555 99 V 0.235646 1.572185 100 V 0.273114 1.702117 101 V 0.302106 1.849454 102 V 0.313436 1.865584 103 V 0.314793 1.958813 104 V 0.331600 1.782941 105 V 0.337693 1.677315 106 V 0.353087 1.959565 107 V 0.361271 1.726733 108 V 0.374720 1.741714 109 V 0.391656 1.996838 110 V 0.400873 2.644254 111 V 0.408312 2.401314 112 V 0.431915 2.152764 113 V 0.435391 2.193593 114 V 0.442145 2.196994 115 V 0.444058 2.276388 116 V 0.465156 2.402426 117 V 0.480530 2.503891 118 V 0.487305 2.383288 119 V 0.499517 2.501133 120 V 0.511351 2.437978 121 V 0.516806 2.086876 122 V 0.527861 2.536831 123 V 0.539029 2.822606 124 V 0.549396 2.635113 125 V 0.558332 2.574794 126 V 0.563387 2.684740 127 V 0.576796 3.151409 128 V 0.598847 2.815635 129 V 0.602778 2.796484 130 V 0.622082 3.098696 131 V 0.631950 3.031550 132 V 0.643570 3.252495 133 V 0.646138 2.832064 134 V 0.655237 2.913457 135 V 0.674877 2.806351 136 V 0.678069 2.678527 137 V 0.693269 2.690664 138 V 0.706621 2.969913 139 V 0.745632 2.731546 140 V 0.819409 2.649283 141 V 0.829006 2.764926 142 V 0.852988 2.649900 143 V 0.855958 2.679699 144 V 0.856384 2.630126 145 V 0.858084 2.654414 146 V 0.860121 2.657038 147 V 0.864331 2.645956 148 V 0.885903 2.764391 149 V 0.929451 2.992814 150 V 0.934757 2.740982 151 V 0.945542 2.868518 152 V 0.950696 2.794869 153 V 0.959406 2.709133 154 V 0.981151 2.675670 155 V 0.989296 2.896510 156 V 1.014232 2.860791 157 V 1.039963 2.946779 158 V 1.082320 3.035067 159 V 1.117937 3.033789 160 V 1.237772 3.130096 161 V 1.257505 3.173260 162 V 1.282290 3.203867 163 V 1.652768 6.582532 164 V 1.701035 6.607927 165 V 2.035215 6.185141 166 V 2.060514 6.130734 167 V 4.223821 14.842532 168 V 4.256490 14.851057 169 V 4.275873 14.848276 170 V 4.281812 14.799641 171 V 8.717485 33.819375 172 V 8.769363 33.873833 173 V 75.911449 348.236354 174 V 76.870479 352.061688 Total kinetic energy from orbitals= 7.430170057487D+03 Exact polarizability: 127.075 -0.828 116.362 0.605 -1.104 90.733 Approx polarizability: 169.211 -5.557 176.644 0.595 -1.609 141.489 ******************************Gaussian NBO Version 3.1****************************** N A T U R A L A T O M I C O R B I T A L A N D N A T U R A L B O N D O R B I T A L A N A L Y S I S ******************************Gaussian NBO Version 3.1****************************** /RESON / : Allow strongly delocalized NBO set Analyzing the SCF density Job title: ISOMER B FREQ Storage needed: 91788 in NPA, 121720 in NBO ( 805305968 available) NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 Al 1 S Cor( 1S) 2.00000 -55.47105 2 Al 1 S Cor( 2S) 1.99955 -4.91128 3 Al 1 S Val( 3S) 0.64123 -0.23126 4 Al 1 S Ryd( 4S) 0.00134 0.15513 5 Al 1 S Ryd( 5S) 0.00001 1.98719 6 Al 1 px Cor( 2p) 1.99993 -2.79793 7 Al 1 px Val( 3p) 0.33410 -0.06168 8 Al 1 px Ryd( 4p) 0.00610 0.16871 9 Al 1 py Cor( 2p) 1.99996 -2.79518 10 Al 1 py Val( 3p) 0.34713 -0.03747 11 Al 1 py Ryd( 4p) 0.00893 0.17531 12 Al 1 pz Cor( 2p) 1.99992 -2.79972 13 Al 1 pz Val( 3p) 0.31661 -0.06845 14 Al 1 pz Ryd( 4p) 0.00457 0.14488 15 Al 1 dxy Ryd( 3d) 0.01379 0.50288 16 Al 1 dxz Ryd( 3d) 0.01114 0.49330 17 Al 1 dyz Ryd( 3d) 0.00930 0.42223 18 Al 1 dx2y2 Ryd( 3d) 0.01506 0.49175 19 Al 1 dz2 Ryd( 3d) 0.00487 0.47114 20 Al 2 S Cor( 1S) 2.00000 -55.45070 21 Al 2 S Cor( 2S) 1.99950 -4.92750 22 Al 2 S Val( 3S) 0.60425 -0.21490 23 Al 2 S Ryd( 4S) 0.00099 0.17311 24 Al 2 S Ryd( 5S) 0.00002 1.98556 25 Al 2 px Cor( 2p) 1.99993 -2.79620 26 Al 2 px Val( 3p) 0.31450 -0.04269 27 Al 2 px Ryd( 4p) 0.00453 0.17308 28 Al 2 py Cor( 2p) 1.99996 -2.79358 29 Al 2 py Val( 3p) 0.33011 -0.02018 30 Al 2 py Ryd( 4p) 0.00676 0.17977 31 Al 2 pz Cor( 2p) 1.99992 -2.79824 32 Al 2 pz Val( 3p) 0.30545 -0.05919 33 Al 2 pz Ryd( 4p) 0.00386 0.14280 34 Al 2 dxy Ryd( 3d) 0.01418 0.52973 35 Al 2 dxz Ryd( 3d) 0.01121 0.49890 36 Al 2 dyz Ryd( 3d) 0.00908 0.42545 37 Al 2 dx2y2 Ryd( 3d) 0.01498 0.49404 38 Al 2 dz2 Ryd( 3d) 0.00516 0.47930 39 Br 3 S Cor( 1S) 2.00000 -476.60123 40 Br 3 S Cor( 2S) 1.99992 -68.15086 41 Br 3 S Cor( 3S) 1.99980 -8.38019 42 Br 3 S Val( 4S) 1.86653 -1.17476 43 Br 3 S Ryd( 5S) 0.00065 2.39963 44 Br 3 S Ryd( 6S) 0.00010 17.91545 45 Br 3 S Ryd( 8S) 0.00000 44.29076 46 Br 3 S Ryd( 7S) 0.00000 22.41586 47 Br 3 px Cor( 2p) 1.99999 -54.62357 48 Br 3 px Cor( 3p) 1.99991 -8.42889 49 Br 3 px Val( 4p) 1.73250 -0.37425 50 Br 3 px Ryd( 5p) 0.00014 0.70460 51 Br 3 py Cor( 2p) 2.00000 -54.62163 52 Br 3 py Cor( 3p) 1.99998 -8.42483 53 Br 3 py Val( 4p) 1.93103 -0.36282 54 Br 3 py Ryd( 5p) 0.00008 0.56897 55 Br 3 pz Cor( 2p) 1.99999 -54.62316 56 Br 3 pz Cor( 3p) 1.99995 -8.42900 57 Br 3 pz Val( 4p) 1.79199 -0.38667 58 Br 3 pz Ryd( 5p) 0.00019 0.83564 59 Br 3 dxy Cor( 3d) 1.99999 -2.71337 60 Br 3 dxy Ryd( 4d) 0.00048 0.48075 61 Br 3 dxz Cor( 3d) 1.99994 -2.71741 62 Br 3 dxz Ryd( 4d) 0.00432 0.72223 63 Br 3 dyz Cor( 3d) 1.99999 -2.71331 64 Br 3 dyz Ryd( 4d) 0.00286 0.47781 65 Br 3 dx2y2 Cor( 3d) 1.99998 -2.71340 66 Br 3 dx2y2 Ryd( 4d) 0.00060 0.51813 67 Br 3 dz2 Cor( 3d) 1.99998 -2.71598 68 Br 3 dz2 Ryd( 4d) 0.00367 0.54061 69 Br 4 S Cor( 1S) 2.00000 -476.57455 70 Br 4 S Cor( 2S) 1.99992 -68.01690 71 Br 4 S Cor( 3S) 1.99980 -8.36047 72 Br 4 S Val( 4S) 1.88360 -1.15347 73 Br 4 S Ryd( 6S) 0.00021 19.15525 74 Br 4 S Ryd( 5S) 0.00018 0.72945 75 Br 4 S Ryd( 8S) 0.00000 43.80054 76 Br 4 S Ryd( 7S) 0.00000 23.03933 77 Br 4 px Cor( 2p) 1.99999 -55.09157 78 Br 4 px Cor( 3p) 1.99994 -7.85489 79 Br 4 px Val( 4p) 1.80919 -0.32781 80 Br 4 px Ryd( 5p) 0.00040 0.80600 81 Br 4 py Cor( 2p) 1.99999 -55.09168 82 Br 4 py Cor( 3p) 1.99993 -7.85530 83 Br 4 py Val( 4p) 1.79235 -0.33039 84 Br 4 py Ryd( 5p) 0.00055 0.71591 85 Br 4 pz Cor( 2p) 2.00000 -55.09069 86 Br 4 pz Cor( 3p) 1.99998 -7.85251 87 Br 4 pz Val( 4p) 1.91157 -0.31609 88 Br 4 pz Ryd( 5p) 0.00020 0.56303 89 Br 4 dxy Cor( 3d) 1.99996 -2.66389 90 Br 4 dxy Ryd( 4d) 0.00242 0.72682 91 Br 4 dxz Cor( 3d) 1.99999 -2.66103 92 Br 4 dxz Ryd( 4d) 0.00116 0.49425 93 Br 4 dyz Cor( 3d) 1.99999 -2.66142 94 Br 4 dyz Ryd( 4d) 0.00135 0.50342 95 Br 4 dx2y2 Cor( 3d) 1.99998 -2.66375 96 Br 4 dx2y2 Ryd( 4d) 0.00240 0.55327 97 Br 4 dz2 Cor( 3d) 1.99999 -2.66043 98 Br 4 dz2 Ryd( 4d) 0.00077 0.54798 99 Cl 5 S Cor( 1S) 2.00000 -100.48362 100 Cl 5 S Cor( 2S) 1.99978 -10.18336 101 Cl 5 S Val( 3S) 1.88553 -1.09220 102 Cl 5 S Ryd( 4S) 0.00019 0.70080 103 Cl 5 S Ryd( 5S) 0.00001 4.25496 104 Cl 5 px Cor( 2p) 1.99998 -7.22119 105 Cl 5 px Val( 3p) 1.91781 -0.33907 106 Cl 5 px Ryd( 4p) 0.00030 0.60140 107 Cl 5 py Cor( 2p) 1.99994 -7.22496 108 Cl 5 py Val( 3p) 1.75925 -0.36935 109 Cl 5 py Ryd( 4p) 0.00118 0.50699 110 Cl 5 pz Cor( 2p) 1.99999 -7.22113 111 Cl 5 pz Val( 3p) 1.92351 -0.33845 112 Cl 5 pz Ryd( 4p) 0.00036 0.51966 113 Cl 5 dxy Ryd( 3d) 0.00159 0.93072 114 Cl 5 dxz Ryd( 3d) 0.00011 0.86025 115 Cl 5 dyz Ryd( 3d) 0.00118 0.89229 116 Cl 5 dx2y2 Ryd( 3d) 0.00216 0.99943 117 Cl 5 dz2 Ryd( 3d) 0.00080 0.91455 118 Cl 6 S Cor( 1S) 2.00000 -100.50900 119 Cl 6 S Cor( 2S) 1.99979 -10.28206 120 Cl 6 S Val( 3S) 1.86712 -1.12221 121 Cl 6 S Ryd( 4S) 0.00060 0.77554 122 Cl 6 S Ryd( 5S) 0.00001 4.20484 123 Cl 6 px Cor( 2p) 1.99994 -7.27727 124 Cl 6 px Val( 3p) 1.77383 -0.40760 125 Cl 6 px Ryd( 4p) 0.00014 0.65316 126 Cl 6 py Cor( 2p) 1.99998 -7.27374 127 Cl 6 py Val( 3p) 1.94349 -0.39106 128 Cl 6 py Ryd( 4p) 0.00012 0.52926 129 Cl 6 pz Cor( 2p) 1.99997 -7.27672 130 Cl 6 pz Val( 3p) 1.84379 -0.41560 131 Cl 6 pz Ryd( 4p) 0.00018 0.57715 132 Cl 6 dxy Ryd( 3d) 0.00032 0.83156 133 Cl 6 dxz Ryd( 3d) 0.00324 0.97455 134 Cl 6 dyz Ryd( 3d) 0.00126 0.82676 135 Cl 6 dx2y2 Ryd( 3d) 0.00046 0.86726 136 Cl 6 dz2 Ryd( 3d) 0.00182 0.84517 137 Cl 7 S Cor( 1S) 2.00000 -100.48115 138 Cl 7 S Cor( 2S) 1.99979 -10.19440 139 Cl 7 S Val( 3S) 1.88898 -1.08536 140 Cl 7 S Ryd( 4S) 0.00015 0.71020 141 Cl 7 S Ryd( 5S) 0.00001 4.25226 142 Cl 7 px Cor( 2p) 1.99998 -7.22089 143 Cl 7 px Val( 3p) 1.91420 -0.33964 144 Cl 7 px Ryd( 4p) 0.00033 0.57224 145 Cl 7 py Cor( 2p) 1.99994 -7.22444 146 Cl 7 py Val( 3p) 1.75978 -0.36734 147 Cl 7 py Ryd( 4p) 0.00118 0.49682 148 Cl 7 pz Cor( 2p) 1.99999 -7.22071 149 Cl 7 pz Val( 3p) 1.92587 -0.33820 150 Cl 7 pz Ryd( 4p) 0.00031 0.52281 151 Cl 7 dxy Ryd( 3d) 0.00167 0.93961 152 Cl 7 dxz Ryd( 3d) 0.00013 0.86070 153 Cl 7 dyz Ryd( 3d) 0.00114 0.88991 154 Cl 7 dx2y2 Ryd( 3d) 0.00208 0.99003 155 Cl 7 dz2 Ryd( 3d) 0.00080 0.91605 156 Cl 8 S Cor( 1S) 2.00000 -100.48037 157 Cl 8 S Cor( 2S) 1.99978 -10.19464 158 Cl 8 S Val( 3S) 1.88892 -1.08522 159 Cl 8 S Ryd( 4S) 0.00015 0.71084 160 Cl 8 S Ryd( 5S) 0.00001 4.25105 161 Cl 8 px Cor( 2p) 1.99997 -7.22231 162 Cl 8 px Val( 3p) 1.84287 -0.35156 163 Cl 8 px Ryd( 4p) 0.00062 0.55268 164 Cl 8 py Cor( 2p) 1.99996 -7.22258 165 Cl 8 py Val( 3p) 1.83220 -0.35473 166 Cl 8 py Ryd( 4p) 0.00089 0.51725 167 Cl 8 pz Cor( 2p) 1.99999 -7.22054 168 Cl 8 pz Val( 3p) 1.92409 -0.33816 169 Cl 8 pz Ryd( 4p) 0.00032 0.52244 170 Cl 8 dxy Ryd( 3d) 0.00242 1.02935 171 Cl 8 dxz Ryd( 3d) 0.00062 0.87514 172 Cl 8 dyz Ryd( 3d) 0.00069 0.87984 173 Cl 8 dx2y2 Ryd( 3d) 0.00131 0.89880 174 Cl 8 dz2 Ryd( 3d) 0.00080 0.91461 WARNING: Population inversion found on atom Br 3 Population inversion found on atom Br 4 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- Al 1 1.28646 9.99936 1.63907 0.07511 11.71354 Al 2 1.37563 9.99931 1.55430 0.07077 11.62437 Br 3 -0.33454 27.99939 7.32206 0.01309 35.33454 Br 4 -0.40582 27.99946 7.39672 0.00964 35.40582 Cl 5 -0.49367 9.99970 7.48610 0.00788 17.49367 Cl 6 -0.43608 9.99969 7.42823 0.00816 17.43608 Cl 7 -0.49636 9.99970 7.48883 0.00783 17.49636 Cl 8 -0.49562 9.99970 7.48808 0.00784 17.49562 ======================================================================= * Total * 0.00000 115.99630 47.80339 0.20032 164.00000 Natural Population -------------------------------------------------------- Core 115.99630 ( 99.9968% of 116) Valence 47.80339 ( 99.5904% of 48) Natural Minimal Basis 163.79968 ( 99.8779% of 164) Natural Rydberg Basis 0.20032 ( 0.1221% of 164) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- Al 1 [core]3S( 0.64)3p( 1.00)3d( 0.05)4p( 0.02) Al 2 [core]3S( 0.60)3p( 0.95)3d( 0.05)4p( 0.02) Br 3 [core]4S( 1.87)4p( 5.46)4d( 0.01) Br 4 [core]4S( 1.88)4p( 5.51)4d( 0.01) Cl 5 [core]3S( 1.89)3p( 5.60)3d( 0.01) Cl 6 [core]3S( 1.87)3p( 5.56)3d( 0.01) Cl 7 [core]3S( 1.89)3p( 5.60)3d( 0.01) Cl 8 [core]3S( 1.89)3p( 5.60)3d( 0.01) NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Occ. ------------------- ----------------- occ occ Cycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev ============================================================================= 1(1) 1.90 162.97308 1.02692 58 8 0 16 0 4 0.04 ----------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals -------------------------------------------------------- Core 115.99627 ( 99.997% of 116) Valence Lewis 46.97681 ( 97.868% of 48) ================== ============================ Total Lewis 162.97308 ( 99.374% of 164) ----------------------------------------------------- Valence non-Lewis 0.84242 ( 0.514% of 164) Rydberg non-Lewis 0.18449 ( 0.112% of 164) ================== ============================ Total non-Lewis 1.02692 ( 0.626% of 164) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.96232) BD ( 1)Al 1 -Br 3 ( 14.12%) 0.3758*Al 1 s( 20.03%)p 3.85( 77.18%)d 0.14( 2.78%) 0.0000 -0.0009 0.4468 0.0268 0.0020 0.0002 -0.5150 -0.0196 0.0001 -0.0839 -0.0018 0.0002 0.7050 0.0464 0.0271 -0.1362 -0.0242 0.0745 0.0491 ( 85.88%) 0.9267*Br 3 s( 19.62%)p 4.09( 80.17%)d 0.01( 0.21%) 0.0000 -0.0001 0.0002 0.4429 0.0092 -0.0023 -0.0002 0.0000 0.0000 0.0000 0.7005 -0.0012 0.0000 0.0000 0.1294 -0.0004 0.0000 -0.0001 -0.5425 -0.0044 0.0000 0.0029 0.0000 -0.0353 0.0000 -0.0050 0.0000 0.0106 -0.0001 0.0263 2. (1.97080) BD ( 1)Al 1 -Br 4 ( 20.21%) 0.4496*Al 1 s( 30.26%)p 2.23( 67.55%)d 0.07( 2.19%) 0.0000 0.0000 0.5500 -0.0068 0.0007 0.0000 0.5870 0.0419 0.0000 -0.5713 -0.0457 0.0000 0.0257 0.0020 -0.1330 0.0045 -0.0058 -0.0210 -0.0613 ( 79.79%) 0.8933*Br 4 s( 24.70%)p 3.04( 75.11%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 0.4969 0.0098 0.0000 -0.0002 0.0000 0.0000 0.0000 -0.5894 -0.0117 0.0000 0.0000 0.6350 0.0163 0.0000 0.0000 -0.0146 -0.0007 0.0000 -0.0380 0.0000 0.0010 0.0000 -0.0010 0.0000 -0.0017 0.0000 -0.0209 3. (1.97632) BD ( 1)Al 1 -Cl 5 ( 17.16%) 0.4143*Al 1 s( 29.64%)p 2.29( 67.76%)d 0.09( 2.61%) 0.0000 0.0000 -0.5442 0.0160 0.0023 0.0000 -0.2553 -0.0155 0.0000 -0.7790 -0.0530 0.0000 0.0497 0.0032 -0.0622 0.0055 0.0168 0.1304 0.0699 ( 82.84%) 0.9102*Cl 5 s( 29.35%)p 2.40( 70.47%)d 0.01( 0.18%) 0.0000 0.0000 -0.5417 0.0002 0.0024 0.0000 0.2218 -0.0035 0.0000 0.8067 -0.0243 0.0000 -0.0643 0.0016 -0.0189 0.0014 0.0051 0.0313 0.0205 4. (1.96926) BD ( 1)Al 1 -Cl 6 ( 11.94%) 0.3455*Al 1 s( 20.02%)p 3.84( 76.92%)d 0.15( 3.05%) 0.0000 -0.0008 0.4474 0.0111 -0.0006 0.0002 -0.5329 -0.0165 0.0000 -0.1653 -0.0064 -0.0002 -0.6749 -0.0463 0.0453 0.1383 0.0426 0.0769 0.0401 ( 88.06%) 0.9384*Cl 6 s( 23.42%)p 3.26( 76.45%)d 0.01( 0.13%) 0.0000 -0.0002 0.4839 0.0077 -0.0007 0.0000 0.6725 0.0009 0.0000 0.1830 -0.0002 0.0000 0.5279 -0.0040 0.0058 0.0286 0.0089 0.0081 0.0174 5. (1.96225) BD ( 1)Al 2 -Br 3 ( 14.14%) 0.3760*Al 2 s( 20.39%)p 3.76( 76.72%)d 0.14( 2.89%) 0.0000 0.0010 -0.4506 -0.0280 -0.0030 0.0003 -0.4761 -0.0135 0.0000 -0.1455 -0.0053 -0.0003 -0.7193 -0.0432 -0.0391 -0.1344 -0.0396 -0.0656 -0.0587 ( 85.86%) 0.9266*Br 3 s( 18.64%)p 4.35( 81.15%)d 0.01( 0.21%) 0.0000 0.0001 -0.0002 -0.4316 -0.0088 0.0024 0.0003 0.0000 0.0000 0.0000 0.6769 -0.0011 0.0000 0.0000 0.1824 0.0000 0.0000 0.0001 0.5657 0.0047 0.0000 -0.0058 0.0000 -0.0333 0.0000 -0.0106 0.0000 -0.0080 0.0001 -0.0280 6. (1.96935) BD ( 1)Al 2 -Cl 6 ( 12.04%) 0.3469*Al 2 s( 20.42%)p 3.74( 76.43%)d 0.15( 3.15%) 0.0000 0.0009 -0.4517 -0.0106 0.0015 0.0002 -0.5661 -0.0155 0.0001 -0.0895 -0.0009 0.0002 0.6585 0.0433 -0.0328 0.1441 0.0233 -0.0888 -0.0356 ( 87.96%) 0.9379*Cl 6 s( 22.37%)p 3.46( 77.49%)d 0.01( 0.13%) 0.0000 0.0002 -0.4729 -0.0071 0.0008 0.0000 0.7055 0.0002 0.0000 0.1284 0.0003 0.0000 -0.5106 0.0047 -0.0030 0.0308 0.0046 -0.0106 -0.0159 7. (1.97690) BD ( 1)Al 2 -Cl 7 ( 17.20%) 0.4148*Al 2 s( 29.56%)p 2.29( 67.79%)d 0.09( 2.65%) 0.0000 -0.0001 0.5435 -0.0131 -0.0010 0.0000 -0.2753 -0.0145 0.0000 -0.7743 -0.0458 0.0000 0.0133 0.0011 0.0727 -0.0015 -0.0043 -0.1278 -0.0698 ( 82.80%) 0.9099*Cl 7 s( 28.47%)p 2.51( 71.35%)d 0.01( 0.18%) 0.0000 0.0000 0.5336 -0.0005 -0.0024 0.0000 0.2600 -0.0045 0.0000 0.8033 -0.0244 0.0000 -0.0020 0.0006 0.0217 -0.0002 -0.0004 -0.0299 -0.0209 8. (1.97689) BD ( 1)Al 2 -Cl 8 ( 17.22%) 0.4149*Al 2 s( 29.60%)p 2.29( 67.74%)d 0.09( 2.65%) 0.0000 -0.0001 0.5439 -0.0129 -0.0010 0.0000 -0.5771 -0.0328 0.0000 0.5817 0.0351 0.0000 -0.0615 -0.0034 -0.1440 0.0141 -0.0154 -0.0253 -0.0685 ( 82.78%) 0.9098*Cl 8 s( 28.46%)p 2.51( 71.36%)d 0.01( 0.18%) 0.0000 0.0000 0.5335 -0.0006 -0.0024 0.0000 0.5754 -0.0144 0.0000 -0.6133 0.0202 0.0000 0.0754 -0.0019 -0.0366 0.0042 -0.0045 -0.0023 -0.0204 9. (2.00000) CR ( 1)Al 1 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. (1.99955) CR ( 2)Al 1 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 0.0000 1.0000 0.0008 0.0000 0.0000 0.0000 -0.0009 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0001 0.0000 0.0001 0.0000 0.0000 0.0001 0.0001 11. (1.99993) CR ( 3)Al 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0002 0.0000 0.0000 -1.0000 -0.0002 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. (1.99996) CR ( 4)Al 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. (1.99992) CR ( 5)Al 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 14. (2.00000) CR ( 1)Al 2 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. (1.99949) CR ( 2)Al 2 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 0.0000 1.0000 0.0009 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0002 0.0000 0.0000 0.0001 0.0000 0.0001 0.0000 0.0000 0.0001 0.0001 16. (1.99993) CR ( 3)Al 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0002 0.0000 0.0000 1.0000 0.0002 0.0000 0.0000 0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. (1.99996) CR ( 4)Al 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18. (1.99992) CR ( 5)Al 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 19. (2.00000) CR ( 1)Br 3 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. (1.99992) CR ( 2)Br 3 s(100.00%) 0.0000 1.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. (1.99980) CR ( 3)Br 3 s(100.00%) 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. (1.99999) CR ( 4)Br 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 23. (1.99991) CR ( 5)Br 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. (2.00000) CR ( 6)Br 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25. (1.99998) CR ( 7)Br 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 26. (1.99999) CR ( 8)Br 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 27. (1.99995) CR ( 9)Br 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 28. (1.99999) CR (10)Br 3 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29. (1.99994) CR (11)Br 3 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 30. (1.99999) CR (12)Br 3 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31. (1.99998) CR (13)Br 3 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 32. (1.99998) CR (14)Br 3 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 33. (2.00000) CR ( 1)Br 4 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 34. (1.99992) CR ( 2)Br 4 s(100.00%) 0.0000 1.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 35. (1.99980) CR ( 3)Br 4 s(100.00%)p 0.00( 0.00%) 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 36. (1.99999) CR ( 4)Br 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. (1.99994) CR ( 5)Br 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. (1.99999) CR ( 6)Br 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. (1.99993) CR ( 7)Br 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 -1.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. (2.00000) CR ( 8)Br 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 41. (1.99998) CR ( 9)Br 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 42. (1.99996) CR (10)Br 4 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 43. (1.99999) CR (11)Br 4 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 44. (1.99999) CR (12)Br 4 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 45. (1.99998) CR (13)Br 4 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 46. (1.99999) CR (14)Br 4 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 47. (2.00000) CR ( 1)Cl 5 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 48. (1.99978) CR ( 2)Cl 5 s(100.00%)p 0.00( 0.00%) 0.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 49. (1.99998) CR ( 3)Cl 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 50. (1.99994) CR ( 4)Cl 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 -1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 51. (1.99999) CR ( 5)Cl 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 52. (2.00000) CR ( 1)Cl 6 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 53. (1.99979) CR ( 2)Cl 6 s(100.00%) 0.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 54. (1.99994) CR ( 3)Cl 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 55. (1.99998) CR ( 4)Cl 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 56. (1.99997) CR ( 5)Cl 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 57. (2.00000) CR ( 1)Cl 7 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 58. (1.99978) CR ( 2)Cl 7 s(100.00%)p 0.00( 0.00%) 0.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 59. (1.99998) CR ( 3)Cl 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 60. (1.99994) CR ( 4)Cl 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 61. (1.99999) CR ( 5)Cl 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 62. (2.00000) CR ( 1)Cl 8 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 63. (1.99978) CR ( 2)Cl 8 s(100.00%)p 0.00( 0.00%) 0.0000 1.0000 0.0003 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 64. (1.99997) CR ( 3)Cl 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 65. (1.99996) CR ( 4)Cl 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 -1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 66. (1.99999) CR ( 5)Cl 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 67. (1.98128) LP ( 1)Br 3 s( 61.74%)p 0.62( 38.22%)d 0.00( 0.04%) 0.0000 -0.0001 0.0002 0.7857 -0.0083 0.0019 0.0002 0.0000 0.0000 0.0000 -0.0228 0.0000 0.0000 0.0000 0.0265 0.0001 0.0000 -0.0001 0.6172 0.0024 0.0000 0.0019 0.0000 0.0013 0.0000 -0.0014 -0.0001 0.0038 0.0000 -0.0207 68. (1.94474) LP ( 2)Br 3 s( 0.00%)p 1.00( 99.87%)d 0.00( 0.13%) 0.0000 0.0000 0.0000 0.0006 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 -0.2196 0.0010 0.0000 0.0001 0.9736 -0.0042 0.0000 0.0000 -0.0508 0.0001 0.0000 0.0011 0.0000 0.0079 0.0002 -0.0352 0.0000 0.0017 0.0000 0.0032 69. (1.98105) LP ( 1)Br 4 s( 75.27%)p 0.33( 24.73%)d 0.00( 0.01%) 0.0000 -0.0002 0.0003 0.8676 -0.0044 0.0002 0.0000 0.0000 0.0000 -0.0002 0.3285 0.0027 0.0000 0.0002 -0.3727 -0.0034 0.0000 0.0000 0.0202 0.0000 0.0000 0.0074 0.0000 -0.0004 0.0000 0.0005 0.0000 0.0008 0.0000 0.0045 70. (1.92218) LP ( 2)Br 4 s( 0.01%)p99.99( 99.87%)d 8.65( 0.12%) 0.0000 0.0000 0.0000 0.0116 -0.0007 0.0001 0.0001 0.0000 0.0000 0.0000 0.7366 -0.0055 0.0000 0.0000 0.6735 -0.0052 0.0000 0.0000 -0.0499 0.0005 0.0000 0.0014 0.0000 0.0008 0.0000 -0.0015 0.0003 -0.0341 0.0000 0.0012 71. (1.91412) LP ( 3)Br 4 s( 0.01%)p 1.00( 99.87%)d 0.00( 0.12%) 0.0000 0.0000 0.0000 0.0097 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 -0.0215 0.0001 0.0000 0.0000 -0.0505 0.0006 -0.0001 0.0000 -0.9978 0.0089 0.0000 0.0006 -0.0002 0.0238 0.0002 -0.0258 0.0000 0.0019 0.0000 0.0012 72. (1.98315) LP ( 1)Cl 5 s( 70.61%)p 0.42( 29.37%)d 0.00( 0.02%) 0.0000 -0.0004 0.8403 0.0003 0.0013 0.0000 0.1313 -0.0017 0.0002 0.5249 -0.0083 0.0000 -0.0303 0.0007 -0.0056 0.0004 0.0014 0.0096 0.0065 73. (1.93237) LP ( 2)Cl 5 s( 0.01%)p99.99( 99.93%)d 5.44( 0.06%) 0.0000 0.0000 0.0105 -0.0003 0.0004 0.0000 0.9657 0.0103 0.0000 -0.2581 -0.0026 0.0000 0.0041 0.0000 -0.0208 0.0017 -0.0006 -0.0130 0.0004 74. (1.92601) LP ( 3)Cl 5 s( 0.01%)p 1.00( 99.93%)d 0.00( 0.06%) 0.0000 0.0000 0.0095 0.0001 0.0000 0.0000 -0.0144 -0.0002 0.0000 -0.0692 -0.0006 0.0000 -0.9971 -0.0116 0.0009 0.0063 0.0233 -0.0016 -0.0031 75. (1.98227) LP ( 1)Cl 6 s( 54.21%)p 0.84( 45.76%)d 0.00( 0.03%) 0.0000 -0.0002 0.7362 -0.0085 0.0007 0.0000 0.0112 -0.0002 0.0000 -0.0380 0.0002 -0.0001 -0.6753 0.0035 0.0002 0.0006 -0.0016 0.0004 -0.0165 76. (1.95394) LP ( 2)Cl 6 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0001 -0.0001 0.0000 0.0000 -0.2193 -0.0012 -0.0001 0.9736 0.0052 0.0000 -0.0583 -0.0004 -0.0010 -0.0048 0.0218 -0.0009 -0.0022 77. (1.98463) LP ( 1)Cl 7 s( 71.45%)p 0.40( 28.53%)d 0.00( 0.02%) 0.0000 -0.0004 0.8453 0.0005 0.0012 -0.0001 -0.1400 0.0021 -0.0002 -0.5152 0.0081 0.0000 0.0150 0.0000 -0.0059 0.0001 0.0004 0.0090 0.0064 78. (1.93414) LP ( 2)Cl 7 s( 0.05%)p99.99( 99.89%)d 1.21( 0.06%) 0.0000 0.0000 0.0223 -0.0004 0.0003 0.0000 -0.9531 -0.0102 0.0000 0.2935 0.0029 0.0000 -0.0651 -0.0008 -0.0196 -0.0004 -0.0015 -0.0146 0.0004 79. (1.92725) LP ( 3)Cl 7 s( 0.01%)p99.99( 99.93%)d 5.83( 0.06%) 0.0000 0.0000 0.0102 0.0001 0.0000 0.0000 0.0596 0.0007 0.0000 -0.0285 -0.0006 0.0000 -0.9974 -0.0115 0.0013 -0.0074 -0.0233 0.0010 0.0002 80. (1.98461) LP ( 1)Cl 8 s( 71.46%)p 0.40( 28.52%)d 0.00( 0.02%) 0.0000 -0.0004 0.8454 0.0005 0.0012 -0.0001 -0.3451 0.0053 0.0001 0.4059 -0.0064 0.0000 -0.0358 0.0008 0.0107 -0.0011 0.0012 0.0012 0.0063 81. (1.93393) LP ( 2)Cl 8 s( 0.05%)p99.99( 99.89%)d 1.22( 0.06%) 0.0000 0.0000 0.0222 -0.0004 0.0003 0.0000 -0.7371 -0.0080 0.0000 -0.6746 -0.0070 0.0000 -0.0193 -0.0003 0.0012 -0.0019 -0.0012 -0.0244 0.0003 82. (1.92703) LP ( 3)Cl 8 s( 0.01%)p 1.00( 99.93%)d 0.00( 0.06%) 0.0000 0.0000 0.0096 0.0001 0.0000 0.0000 0.0704 0.0007 0.0000 -0.0481 -0.0003 0.0000 -0.9959 -0.0116 -0.0022 -0.0164 0.0178 0.0003 -0.0037 83. (0.02696) RY*( 1)Al 1 s( 0.21%)p99.99( 21.44%)d99.99( 78.35%) 0.0000 0.0000 0.0294 0.0349 0.0011 0.0000 0.1750 -0.3615 0.0000 0.0915 -0.2113 0.0000 0.0068 -0.0044 0.2014 0.0399 0.0929 0.8099 0.2770 84. (0.02278) RY*( 2)Al 1 s( 0.01%)p 1.00( 22.13%)d 3.52( 77.86%) 0.0000 0.0000 0.0018 0.0085 0.0018 0.0000 -0.0015 -0.0192 0.0000 -0.0013 -0.0173 0.0000 -0.2082 0.4210 -0.0750 -0.8665 -0.1340 0.0569 0.0313 85. (0.02049) RY*( 3)Al 1 s( 0.06%)p99.99( 35.95%)d99.99( 63.99%) 0.0000 0.0000 0.0082 0.0220 -0.0054 0.0000 0.0804 -0.2242 0.0000 -0.1493 0.5296 0.0000 -0.0026 -0.0073 0.7733 -0.0731 -0.0688 -0.1665 0.0641 86. (0.00921) RY*( 4)Al 1 s( 0.00%)p 1.00( 0.29%)d99.99( 99.71%) 0.0000 0.0000 -0.0001 0.0002 0.0003 0.0000 -0.0029 -0.0038 0.0000 0.0074 -0.0083 0.0000 -0.0167 -0.0496 -0.0579 0.1453 -0.9780 0.0819 0.0973 87. (0.00466) RY*( 5)Al 1 s( 1.18%)p55.19( 64.86%)d28.90( 33.96%) 0.0000 0.0000 0.0063 0.1081 -0.0041 0.0000 -0.0079 -0.4343 0.0000 0.0305 0.6769 0.0000 -0.0029 -0.0269 -0.5678 0.0343 0.0514 0.0813 0.0828 88. (0.00334) RY*( 6)Al 1 s( 10.82%)p 3.33( 36.01%)d 4.91( 53.17%) 0.0000 0.0000 0.0151 0.3284 0.0103 0.0000 0.0163 -0.4619 0.0000 -0.0071 -0.3824 0.0000 -0.0051 0.0118 -0.0327 0.0143 0.0194 -0.4993 0.5298 89. (0.00214) RY*( 7)Al 1 s( 0.40%)p99.99( 71.92%)d68.48( 27.67%) 0.0000 0.0000 -0.0080 0.0630 -0.0030 0.0000 -0.0238 -0.2515 0.0000 -0.0086 -0.0739 0.0000 0.0227 0.8058 0.0422 0.3790 -0.0239 -0.0268 -0.3605 90. (0.00183) RY*( 8)Al 1 s( 0.45%)p99.99( 49.06%)d99.99( 50.50%) 0.0000 0.0000 -0.0152 0.0645 -0.0084 0.0000 -0.0496 -0.5184 0.0000 -0.0207 -0.2328 0.0000 -0.0099 -0.4058 0.0269 -0.1955 -0.0766 -0.0401 -0.6772 91. (0.00076) RY*( 9)Al 1 s( 86.98%)p 0.10( 8.91%)d 0.05( 4.11%) 0.0000 0.0000 -0.0105 0.9319 -0.0360 0.0000 0.0216 0.2862 0.0000 0.0146 0.0733 0.0000 -0.0098 -0.0317 0.0463 -0.0108 -0.0064 0.1385 -0.1402 92. (0.00001) RY*(10)Al 1 s( 99.94%)p 0.00( 0.02%)d 0.00( 0.04%) 93. (0.02448) RY*( 1)Al 2 s( 0.23%)p70.28( 15.86%)d99.99( 83.91%) 0.0000 0.0000 0.0287 0.0375 -0.0053 0.0000 -0.1959 0.3363 0.0000 -0.0429 0.0718 0.0000 0.0079 -0.0094 0.3640 -0.0727 0.0600 0.7820 0.2937 94. (0.02099) RY*( 2)Al 2 s( 0.03%)p99.99( 18.25%)d99.99( 81.72%) 0.0000 0.0000 0.0029 0.0152 0.0040 0.0000 0.0034 0.0139 0.0000 -0.0101 0.0223 0.0000 -0.2106 0.3706 0.0582 0.8743 0.2026 0.0021 0.0920 95. (0.01942) RY*( 3)Al 2 s( 0.00%)p 1.00( 27.38%)d 2.65( 72.62%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0379 -0.1080 0.0000 -0.1722 0.4799 0.0000 0.0088 -0.0251 -0.7620 0.0682 -0.0829 0.3660 0.0089 96. (0.00887) RY*( 4)Al 2 s( 0.00%)p 1.00( 0.01%)d99.99( 99.99%) 0.0000 0.0000 0.0001 0.0003 0.0000 0.0000 -0.0020 -0.0012 0.0000 0.0090 0.0053 0.0000 -0.0002 -0.0028 0.1262 0.2069 -0.9658 0.0001 0.0919 97. (0.00364) RY*( 5)Al 2 s( 0.02%)p99.99( 75.32%)d99.99( 24.65%) 0.0000 0.0000 0.0010 0.0154 0.0002 0.0000 0.0060 0.2186 0.0000 -0.0330 -0.8380 0.0000 0.0013 0.0449 -0.4543 0.0359 -0.0528 0.1846 0.0441 98. (0.00346) RY*( 6)Al 2 s( 4.09%)p 8.13( 33.29%)d15.30( 62.62%) 0.0000 0.0000 0.0210 0.2011 -0.0056 0.0000 -0.0228 0.5489 0.0000 -0.0037 0.1751 0.0000 -0.0066 -0.0194 -0.1765 -0.0692 0.0228 -0.4330 0.6343 99. (0.00209) RY*( 7)Al 2 s( 0.83%)p96.89( 80.37%)d22.67( 18.80%) 0.0000 0.0000 -0.0051 0.0908 0.0048 0.0000 0.0184 0.2446 0.0000 0.0051 0.1005 0.0000 0.0185 0.8562 -0.0237 -0.3122 -0.0991 -0.0076 -0.2831 100. (0.00175) RY*( 8)Al 2 s( 0.79%)p70.95( 55.73%)d55.36( 43.49%) 0.0000 0.0000 -0.0139 0.0874 0.0051 0.0000 0.0511 0.6474 0.0000 0.0110 0.1240 0.0000 -0.0056 -0.3464 -0.0029 0.2005 -0.0162 -0.0272 -0.6274 101. (0.00057) RY*( 9)Al 2 s( 94.07%)p 0.05( 5.09%)d 0.01( 0.84%) 0.0000 0.0000 -0.0071 0.9687 -0.0484 0.0000 -0.0253 -0.2127 0.0000 -0.0062 -0.0471 0.0000 -0.0110 -0.0516 0.0289 0.0121 0.0005 0.0546 -0.0663 102. (0.00001) RY*(10)Al 2 s( 99.98%)p 0.00( 0.02%)d 0.00( 0.01%) 103. (0.00049) RY*( 1)Br 3 s( 1.54%)p 2.12( 3.26%)d61.86( 95.21%) 0.0000 0.0000 0.0000 0.0006 0.1218 -0.0056 0.0226 0.0034 0.0000 0.0000 0.0237 0.1749 0.0000 0.0000 0.0018 -0.0344 0.0000 0.0000 0.0149 -0.0007 0.0000 0.5571 0.0000 0.4286 0.0000 0.0067 0.0000 -0.5700 0.0000 0.3648 104. (0.00044) RY*( 2)Br 3 s( 1.64%)p 9.52( 15.59%)d50.57( 82.77%) 0.0000 0.0000 0.0000 0.0001 0.1262 -0.0031 0.0206 0.0031 0.0000 0.0000 -0.0382 -0.3787 0.0000 0.0000 -0.0088 -0.1027 0.0000 0.0000 0.0116 -0.0161 0.0000 0.2145 0.0000 -0.7734 0.0000 -0.1788 0.0000 -0.2947 0.0000 0.2544 105. (0.00041) RY*( 3)Br 3 s( 2.86%)p 0.57( 1.64%)d33.35( 95.49%) 0.0000 0.0000 0.0000 -0.0017 0.0561 0.1558 -0.0342 -0.0056 0.0000 0.0000 -0.0026 -0.0399 0.0000 0.0000 -0.0026 -0.0006 0.0000 0.0000 -0.0223 0.1196 0.0000 0.7132 0.0000 -0.0619 0.0000 -0.0597 0.0000 0.2543 0.0000 -0.6117 106. (0.00036) RY*( 4)Br 3 s( 77.79%)p 0.07( 5.48%)d 0.22( 16.73%) 0.0000 0.0000 0.0000 -0.0055 0.8141 0.3382 0.0283 0.0029 0.0000 0.0000 0.0021 0.0074 0.0000 0.0000 0.0010 -0.0041 0.0000 0.0000 0.0224 0.2329 0.0000 -0.0670 0.0000 0.0604 0.0000 0.0319 0.0000 0.3124 0.0000 0.2460 107. (0.00023) RY*( 5)Br 3 s( 0.21%)p 7.14( 1.49%)d99.99( 98.30%) 0.0000 0.0000 0.0000 -0.0015 0.0344 -0.0296 0.0050 0.0004 0.0000 0.0000 -0.0073 0.0529 0.0000 0.0000 0.0353 0.0741 0.0000 0.0000 0.0034 -0.0726 0.0000 0.0929 0.0000 -0.2114 0.0000 0.9634 0.0000 -0.0394 0.0000 -0.0033 108. (0.00019) RY*( 6)Br 3 s( 11.56%)p 4.34( 50.12%)d 3.31( 38.32%) 0.0000 0.0000 0.0000 0.0105 -0.0883 0.3267 -0.0310 -0.0017 0.0000 0.0000 -0.0003 -0.0447 0.0000 0.0000 0.0033 -0.0049 0.0000 0.0000 -0.0242 0.7061 0.0000 -0.2574 0.0000 -0.0088 0.0000 0.0717 0.0000 -0.4791 0.0000 -0.2866 109. (0.00008) RY*( 7)Br 3 s( 0.07%)p99.99( 81.66%)d99.99( 18.28%) 110. (0.00002) RY*( 8)Br 3 s( 48.46%)p 0.14( 6.85%)d 0.92( 44.69%) 111. (0.00003) RY*( 9)Br 3 s( 0.11%)p99.99( 98.69%)d10.89( 1.20%) 112. (0.00000) RY*(10)Br 3 s( 99.99%)p 0.00( 0.00%)d 0.00( 0.01%) 113. (0.00001) RY*(11)Br 3 s( 56.18%)p 0.63( 35.62%)d 0.15( 8.20%) 114. (0.00000) RY*(12)Br 3 s( 99.60%)p 0.00( 0.20%)d 0.00( 0.20%) 115. (0.00027) RY*( 1)Br 4 s( 60.72%)p 0.36( 21.71%)d 0.29( 17.57%) 0.0000 0.0000 0.0000 -0.0004 0.0401 0.7782 -0.0065 0.0003 0.0000 0.0000 0.0100 0.4609 0.0000 0.0000 0.0089 -0.0619 0.0000 0.0000 -0.0012 0.0242 0.0000 -0.2438 0.0000 -0.0168 0.0000 0.0399 0.0000 0.3204 0.0000 0.1083 116. (0.00021) RY*( 2)Br 4 s( 1.65%)p 9.81( 16.14%)d49.98( 82.22%) 0.0000 0.0000 0.0000 -0.0146 0.0500 0.0834 -0.0815 -0.0115 0.0000 0.0000 0.0244 -0.1437 0.0000 0.0000 -0.0379 0.3714 0.0000 0.0000 -0.0003 -0.0278 0.0000 -0.7079 0.0000 -0.0254 0.0000 -0.0252 0.0000 -0.3059 0.0000 -0.4757 117. (0.00015) RY*( 3)Br 4 s( 1.82%)p13.49( 24.50%)d40.57( 73.68%) 0.0000 0.0000 0.0000 0.0033 -0.0570 0.1220 -0.0021 0.0004 0.0000 0.0000 -0.0267 0.3285 0.0000 0.0000 -0.0094 -0.3476 0.0000 0.0000 0.0142 0.1235 0.0000 0.0583 0.0000 0.3250 0.0000 -0.2256 0.0000 -0.7588 0.0000 0.0329 118. (0.00010) RY*( 4)Br 4 s( 1.22%)p 8.21( 10.03%)d72.69( 88.75%) 0.0000 0.0000 0.0000 -0.0018 0.0766 0.0790 0.0100 0.0008 0.0000 0.0000 0.0109 -0.2333 0.0000 0.0000 0.0026 0.2062 0.0000 0.0000 0.0320 0.0468 0.0000 0.0236 0.0000 0.6938 0.0000 -0.5677 0.0000 0.2879 0.0000 0.0221 119. (0.00005) RY*( 5)Br 4 s( 3.60%)p16.67( 60.04%)d10.09( 36.36%) 120. (0.00004) RY*( 6)Br 4 s( 26.19%)p 2.47( 64.66%)d 0.35( 9.15%) 121. (0.00004) RY*( 7)Br 4 s( 33.73%)p 1.03( 34.81%)d 0.93( 31.46%) 122. (0.00002) RY*( 8)Br 4 s( 4.01%)p 8.85( 35.48%)d15.09( 60.52%) 123. (0.00001) RY*( 9)Br 4 s( 58.92%)p 0.46( 26.83%)d 0.24( 14.25%) 124. (0.00001) RY*(10)Br 4 s( 11.89%)p 0.43( 5.06%)d 6.99( 83.05%) 125. (0.00000) RY*(11)Br 4 s( 96.30%)p 0.01( 1.16%)d 0.03( 2.54%) 126. (0.00000) RY*(12)Br 4 s( 99.97%)p 0.00( 0.00%)d 0.00( 0.02%) 127. (0.00026) RY*( 1)Cl 5 s( 62.29%)p 0.07( 4.34%)d 0.54( 33.36%) 0.0000 0.0000 0.0017 0.7891 -0.0147 0.0000 0.0126 -0.1443 0.0000 -0.0109 -0.1472 0.0000 0.0011 -0.0254 0.4805 -0.0270 0.0287 0.2843 0.1430 128. (0.00014) RY*( 2)Cl 5 s( 12.93%)p 2.72( 35.12%)d 4.02( 51.95%) 0.0000 0.0000 -0.0005 0.3592 0.0175 0.0000 -0.0132 -0.3853 0.0000 0.0034 -0.3400 0.0000 0.0021 -0.2949 -0.4846 0.0607 -0.1134 -0.5086 -0.0967 129. (0.00013) RY*( 3)Cl 5 s( 1.96%)p19.24( 37.77%)d30.71( 60.27%) 0.0000 0.0000 0.0010 0.1398 0.0083 0.0000 -0.0057 -0.0200 0.0000 -0.0020 -0.0949 0.0000 0.0116 0.6067 -0.1535 0.2360 0.7049 -0.1415 -0.0810 130. (0.00011) RY*( 4)Cl 5 s( 0.70%)p63.50( 44.65%)d77.70( 54.64%) 0.0000 0.0000 0.0120 -0.0577 0.0597 0.0000 -0.0181 0.3150 0.0000 -0.0403 -0.5682 0.0000 0.0057 -0.1500 -0.3893 0.0879 0.0978 0.4752 0.3895 131. (0.00007) RY*( 5)Cl 5 s( 0.25%)p99.99( 52.81%)d99.99( 46.94%) 132. (0.00004) RY*( 6)Cl 5 s( 7.80%)p 8.95( 69.82%)d 2.87( 22.38%) 133. (0.00002) RY*( 7)Cl 5 s( 16.58%)p 2.82( 46.74%)d 2.21( 36.68%) 134. (0.00000) RY*( 8)Cl 5 s( 96.31%)p 0.03( 3.09%)d 0.01( 0.60%) 135. (0.00001) RY*( 9)Cl 5 s( 0.16%)p30.60( 4.98%)d99.99( 94.85%) 136. (0.00000) RY*(10)Cl 5 s( 1.01%)p 0.96( 0.97%)d97.03( 98.02%) 137. (0.00040) RY*( 1)Cl 6 s( 0.03%)p74.99( 1.99%)d99.99( 97.99%) 0.0000 0.0000 -0.0012 0.0120 0.0109 0.0000 -0.0021 -0.0071 0.0000 0.0013 -0.0406 0.0000 0.0207 0.1331 0.1162 0.0824 -0.0590 0.4611 -0.8623 138. (0.00031) RY*( 2)Cl 6 s( 69.42%)p 0.19( 13.08%)d 0.25( 17.50%) 0.0000 0.0000 0.0005 0.8267 0.1038 0.0000 0.0015 0.0360 0.0000 -0.0012 0.1103 0.0000 -0.0075 0.3425 0.3443 -0.0695 0.0247 -0.2248 -0.0221 139. (0.00028) RY*( 3)Cl 6 s( 14.39%)p 0.20( 2.82%)d 5.75( 82.79%) 0.0000 0.0000 0.0002 0.3763 0.0482 0.0000 -0.0054 0.0399 0.0000 -0.0008 -0.0140 0.0000 -0.0063 0.1623 -0.8239 0.1745 -0.0022 0.3259 0.1112 140. (0.00024) RY*( 4)Cl 6 s( 0.08%)p99.99( 20.09%)d99.99( 79.83%) 0.0000 0.0000 0.0003 0.0281 0.0077 0.0000 0.0376 -0.4399 0.0000 0.0084 -0.0657 0.0000 0.0011 0.0397 -0.1570 -0.8526 -0.2008 0.0698 -0.0383 141. (0.00016) RY*( 5)Cl 6 s( 0.00%)p 1.00( 6.40%)d14.63( 93.60%) 0.0000 0.0000 0.0001 -0.0013 0.0037 0.0000 -0.0060 -0.1117 0.0000 0.0196 0.2258 0.0000 -0.0010 0.0098 0.0689 0.2438 -0.9281 0.0227 0.1001 142. (0.00013) RY*( 6)Cl 6 s( 11.04%)p 3.76( 41.54%)d 4.30( 47.42%) 0.0000 0.0000 -0.0088 0.3265 -0.0609 0.0000 0.0023 0.0117 0.0000 -0.0001 -0.0677 0.0000 -0.0228 -0.6404 0.2749 -0.0408 0.0253 0.5786 0.2482 143. (0.00012) RY*( 7)Cl 6 s( 0.32%)p99.99( 80.25%)d60.54( 19.43%) 0.0000 0.0000 0.0001 0.0552 0.0127 0.0000 -0.0176 -0.8376 0.0000 -0.0044 -0.3160 0.0000 -0.0013 0.0277 0.0693 0.4076 0.1397 -0.0469 0.0406 144. (0.00005) RY*( 8)Cl 6 s( 0.07%)p99.99( 92.30%)d99.99( 7.63%) 145. (0.00002) RY*( 9)Cl 6 s( 8.49%)p 4.54( 38.49%)d 6.25( 53.02%) 146. (0.00000) RY*(10)Cl 6 s( 96.16%)p 0.04( 3.40%)d 0.00( 0.44%) 147. (0.00023) RY*( 1)Cl 7 s( 60.89%)p 0.28( 17.07%)d 0.36( 22.04%) 0.0000 0.0000 0.0007 0.7800 -0.0211 0.0000 -0.0122 0.3559 0.0000 0.0089 0.2080 0.0000 -0.0003 -0.0229 0.4302 -0.0185 0.0287 0.1694 0.0742 148. (0.00015) RY*( 2)Cl 7 s( 5.25%)p 3.81( 20.01%)d14.23( 74.74%) 0.0000 0.0000 -0.0039 0.2280 -0.0226 0.0000 0.0099 0.4422 0.0000 -0.0164 -0.0064 0.0000 0.0043 -0.0641 -0.4694 -0.0520 -0.1349 -0.6794 -0.2110 149. (0.00011) RY*( 3)Cl 7 s( 0.63%)p79.30( 49.83%)d78.84( 49.54%) 0.0000 0.0000 0.0115 0.0269 0.0737 0.0000 0.0211 -0.0546 0.0000 0.0385 0.6933 0.0000 0.0070 -0.1125 -0.4955 -0.1337 -0.2180 0.2655 0.3377 150. (0.00010) RY*( 4)Cl 7 s( 0.22%)p48.10( 10.59%)d99.99( 89.19%) 0.0000 0.0000 -0.0023 0.0398 -0.0248 0.0000 -0.0057 -0.0966 0.0000 -0.0075 -0.1946 0.0000 0.0200 0.2413 0.1455 -0.3815 -0.8488 0.0442 -0.0528 151. (0.00006) RY*( 5)Cl 7 s( 0.10%)p99.99( 90.45%)d90.66( 9.45%) 152. (0.00003) RY*( 6)Cl 7 s( 12.66%)p 5.09( 64.38%)d 1.81( 22.97%) 153. (0.00001) RY*( 7)Cl 7 s( 0.06%)p90.37( 5.23%)d99.99( 94.71%) 154. (0.00001) RY*( 8)Cl 7 s( 22.05%)p 1.31( 28.82%)d 2.23( 49.13%) 155. (0.00000) RY*( 9)Cl 7 s( 96.02%)p 0.03( 3.09%)d 0.01( 0.89%) 156. (0.00000) RY*(10)Cl 7 s( 2.14%)p 5.06( 10.83%)d40.66( 87.03%) 157. (0.00022) RY*( 1)Cl 8 s( 59.82%)p 0.30( 17.67%)d 0.38( 22.51%) 0.0000 0.0000 0.0007 0.7730 -0.0238 0.0000 -0.0073 0.4183 0.0000 -0.0134 -0.0372 0.0000 0.0010 -0.0128 -0.1441 0.0179 0.0220 0.4445 0.0772 158. (0.00014) RY*( 2)Cl 8 s( 5.36%)p 3.71( 19.87%)d13.96( 74.78%) 0.0000 0.0000 -0.0036 0.2305 -0.0213 0.0000 0.0029 0.4063 0.0000 0.0188 0.1655 0.0000 0.0026 -0.0764 -0.2215 -0.0986 -0.0229 -0.8012 -0.2157 159. (0.00010) RY*( 3)Cl 8 s( 0.18%)p27.77( 5.03%)d99.99( 94.79%) 0.0000 0.0000 0.0020 0.0424 0.0035 0.0000 0.0043 -0.0747 0.0000 -0.0032 -0.0847 0.0000 0.0218 0.1926 0.0407 -0.7434 0.6233 0.0192 -0.0682 160. (0.00011) RY*( 4)Cl 8 s( 0.64%)p85.92( 55.17%)d68.80( 44.18%) 0.0000 0.0000 0.0117 0.0016 0.0793 0.0000 0.0361 0.2877 0.0000 -0.0262 -0.6743 0.0000 0.0028 -0.1110 0.5184 -0.0192 -0.0355 -0.2194 0.3512 161. (0.00006) RY*( 5)Cl 8 s( 0.10%)p99.99( 90.66%)d88.08( 9.24%) 162. (0.00003) RY*( 6)Cl 8 s( 9.95%)p 6.34( 63.09%)d 2.71( 26.95%) 163. (0.00000) RY*( 7)Cl 8 s( 98.03%)p 0.02( 1.80%)d 0.00( 0.17%) 164. (0.00001) RY*( 8)Cl 8 s( 0.04%)p99.99( 5.38%)d99.99( 94.58%) 165. (0.00001) RY*( 9)Cl 8 s( 14.14%)p 2.14( 30.29%)d 3.93( 55.57%) 166. (0.00001) RY*(10)Cl 8 s( 11.76%)p 0.96( 11.33%)d 6.54( 76.91%) 167. (0.13652) BD*( 1)Al 1 -Br 3 ( 85.88%) 0.9267*Al 1 s( 20.03%)p 3.85( 77.18%)d 0.14( 2.78%) 0.0000 -0.0009 0.4468 0.0268 0.0020 0.0002 -0.5150 -0.0196 0.0001 -0.0839 -0.0018 0.0002 0.7050 0.0464 0.0271 -0.1362 -0.0242 0.0745 0.0491 ( 14.12%) -0.3758*Br 3 s( 19.62%)p 4.09( 80.17%)d 0.01( 0.21%) 0.0000 -0.0001 0.0002 0.4429 0.0092 -0.0023 -0.0002 0.0000 0.0000 0.0000 0.7005 -0.0012 0.0000 0.0000 0.1294 -0.0004 0.0000 -0.0001 -0.5425 -0.0044 0.0000 0.0029 0.0000 -0.0353 0.0000 -0.0050 0.0000 0.0106 -0.0001 0.0263 168. (0.07732) BD*( 1)Al 1 -Br 4 ( 79.79%) 0.8933*Al 1 s( 30.26%)p 2.23( 67.55%)d 0.07( 2.19%) 0.0000 0.0000 0.5500 -0.0068 0.0007 0.0000 0.5870 0.0419 0.0000 -0.5713 -0.0457 0.0000 0.0257 0.0020 -0.1330 0.0045 -0.0058 -0.0210 -0.0613 ( 20.21%) -0.4496*Br 4 s( 24.70%)p 3.04( 75.11%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 0.4969 0.0098 0.0000 -0.0002 0.0000 0.0000 0.0000 -0.5894 -0.0117 0.0000 0.0000 0.6350 0.0163 0.0000 0.0000 -0.0146 -0.0007 0.0000 -0.0380 0.0000 0.0010 0.0000 -0.0010 0.0000 -0.0017 0.0000 -0.0209 169. (0.08458) BD*( 1)Al 1 -Cl 5 ( 82.84%) 0.9102*Al 1 s( 29.64%)p 2.29( 67.76%)d 0.09( 2.61%) 0.0000 0.0000 -0.5442 0.0160 0.0023 0.0000 -0.2553 -0.0155 0.0000 -0.7790 -0.0530 0.0000 0.0497 0.0032 -0.0622 0.0055 0.0168 0.1304 0.0699 ( 17.16%) -0.4143*Cl 5 s( 29.35%)p 2.40( 70.47%)d 0.01( 0.18%) 0.0000 0.0000 -0.5417 0.0002 0.0024 0.0000 0.2218 -0.0035 0.0000 0.8067 -0.0243 0.0000 -0.0643 0.0016 -0.0189 0.0014 0.0051 0.0313 0.0205 170. (0.13999) BD*( 1)Al 1 -Cl 6 ( 88.06%) 0.9384*Al 1 s( 20.02%)p 3.84( 76.92%)d 0.15( 3.05%) 0.0000 -0.0008 0.4474 0.0111 -0.0006 0.0002 -0.5329 -0.0165 0.0000 -0.1653 -0.0064 -0.0002 -0.6749 -0.0463 0.0453 0.1383 0.0426 0.0769 0.0401 ( 11.94%) -0.3455*Cl 6 s( 23.42%)p 3.26( 76.45%)d 0.01( 0.13%) 0.0000 -0.0002 0.4839 0.0077 -0.0007 0.0000 0.6725 0.0009 0.0000 0.1830 -0.0002 0.0000 0.5279 -0.0040 0.0058 0.0286 0.0089 0.0081 0.0174 171. (0.12437) BD*( 1)Al 2 -Br 3 ( 85.86%) 0.9266*Al 2 s( 20.39%)p 3.76( 76.72%)d 0.14( 2.89%) 0.0000 0.0010 -0.4506 -0.0280 -0.0030 0.0003 -0.4761 -0.0135 0.0000 -0.1455 -0.0053 -0.0003 -0.7193 -0.0432 -0.0391 -0.1344 -0.0396 -0.0656 -0.0587 ( 14.14%) -0.3760*Br 3 s( 18.64%)p 4.35( 81.15%)d 0.01( 0.21%) 0.0000 0.0001 -0.0002 -0.4316 -0.0088 0.0024 0.0003 0.0000 0.0000 0.0000 0.6769 -0.0011 0.0000 0.0000 0.1824 0.0000 0.0000 0.0001 0.5657 0.0047 0.0000 -0.0058 0.0000 -0.0333 0.0000 -0.0106 0.0000 -0.0080 0.0001 -0.0280 172. (0.12703) BD*( 1)Al 2 -Cl 6 ( 87.96%) 0.9379*Al 2 s( 20.42%)p 3.74( 76.43%)d 0.15( 3.15%) 0.0000 0.0009 -0.4517 -0.0106 0.0015 0.0002 -0.5661 -0.0155 0.0001 -0.0895 -0.0009 0.0002 0.6585 0.0433 -0.0328 0.1441 0.0233 -0.0888 -0.0356 ( 12.04%) -0.3469*Cl 6 s( 22.37%)p 3.46( 77.49%)d 0.01( 0.13%) 0.0000 0.0002 -0.4729 -0.0071 0.0008 0.0000 0.7055 0.0002 0.0000 0.1284 0.0003 0.0000 -0.5106 0.0047 -0.0030 0.0308 0.0046 -0.0106 -0.0159 173. (0.07628) BD*( 1)Al 2 -Cl 7 ( 82.80%) 0.9099*Al 2 s( 29.56%)p 2.29( 67.79%)d 0.09( 2.65%) 0.0000 -0.0001 0.5435 -0.0131 -0.0010 0.0000 -0.2753 -0.0145 0.0000 -0.7743 -0.0458 0.0000 0.0133 0.0011 0.0727 -0.0015 -0.0043 -0.1278 -0.0698 ( 17.20%) -0.4148*Cl 7 s( 28.47%)p 2.51( 71.35%)d 0.01( 0.18%) 0.0000 0.0000 0.5336 -0.0005 -0.0024 0.0000 0.2600 -0.0045 0.0000 0.8033 -0.0244 0.0000 -0.0020 0.0006 0.0217 -0.0002 -0.0004 -0.0299 -0.0209 174. (0.07633) BD*( 1)Al 2 -Cl 8 ( 82.78%) 0.9098*Al 2 s( 29.60%)p 2.29( 67.74%)d 0.09( 2.65%) 0.0000 -0.0001 0.5439 -0.0129 -0.0010 0.0000 -0.5771 -0.0328 0.0000 0.5817 0.0351 0.0000 -0.0615 -0.0034 -0.1440 0.0141 -0.0154 -0.0253 -0.0685 ( 17.22%) -0.4149*Cl 8 s( 28.46%)p 2.51( 71.36%)d 0.01( 0.18%) 0.0000 0.0000 0.5335 -0.0006 -0.0024 0.0000 0.5754 -0.0144 0.0000 -0.6133 0.0202 0.0000 0.0754 -0.0019 -0.0366 0.0042 -0.0045 -0.0023 -0.0204 NHO Directionality and "Bond Bending" (deviations from line of nuclear centers) [Thresholds for printing: angular deviation > 1.0 degree] hybrid p-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev ======================================================================================== 1. BD ( 1)Al 1 -Br 3 43.6 189.7 35.8 189.1 7.8 127.6 10.5 8.9 2. BD ( 1)Al 1 -Br 4 88.6 312.6 88.2 315.6 2.9 -- -- -- 3. BD ( 1)Al 1 -Cl 5 94.0 75.0 93.5 72.0 3.1 -- -- -- 4. BD ( 1)Al 1 -Cl 6 134.8 196.1 141.4 197.4 6.7 53.1 15.2 7.9 5. BD ( 1)Al 2 -Br 3 41.7 16.0 33.9 17.1 7.8 129.2 195.1 9.2 6. BD ( 1)Al 2 -Cl 6 133.4 9.6 140.0 8.8 6.7 54.8 190.3 8.2 7. BD ( 1)Al 2 -Cl 7 89.4 252.9 89.0 250.5 2.3 90.1 71.8 1.2 8. BD ( 1)Al 2 -Cl 8 94.7 132.4 94.3 134.7 2.3 84.9 313.4 1.1 67. LP ( 1)Br 3 -- -- 3.2 130.5 -- -- -- -- 68. LP ( 2)Br 3 -- -- 92.9 102.7 -- -- -- -- 70. LP ( 2)Br 4 -- -- 92.9 42.4 -- -- -- -- 71. LP ( 3)Br 4 -- -- 176.9 246.8 -- -- -- -- 72. LP ( 1)Cl 5 -- -- 93.2 75.9 -- -- -- -- 73. LP ( 2)Cl 5 -- -- 89.8 345.0 -- -- -- -- 74. LP ( 3)Cl 5 -- -- 176.0 258.2 -- -- -- -- 75. LP ( 1)Cl 6 -- -- 176.6 286.2 -- -- -- -- 76. LP ( 2)Cl 6 -- -- 93.3 102.7 -- -- -- -- 77. LP ( 1)Cl 7 -- -- 88.4 254.8 -- -- -- -- 78. LP ( 2)Cl 7 -- -- 93.7 162.9 -- -- -- -- 79. LP ( 3)Cl 7 -- -- 176.2 334.3 -- -- -- -- 80. LP ( 1)Cl 8 -- -- 93.8 130.4 -- -- -- -- 81. LP ( 2)Cl 8 -- -- 91.1 222.5 -- -- -- -- 82. LP ( 3)Cl 8 -- -- 175.1 325.8 -- -- -- -- 167. BD*( 1)Al 1 -Br 3 43.6 189.7 35.8 189.1 7.8 127.6 10.5 8.9 170. BD*( 1)Al 1 -Cl 6 134.8 196.1 141.4 197.4 6.7 53.1 15.2 7.9 171. BD*( 1)Al 2 -Br 3 41.7 16.0 33.9 17.1 7.8 129.2 195.1 9.2 172. BD*( 1)Al 2 -Cl 6 133.4 9.6 140.0 8.8 6.7 54.8 190.3 8.2 Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis Threshold for printing: 0.50 kcal/mol E(2) E(j)-E(i) F(i,j) Donor NBO (i) Acceptor NBO (j) kcal/mol a.u. a.u. =================================================================================================== within unit 1 1. BD ( 1)Al 1 -Br 3 / 84. RY*( 2)Al 1 0.74 1.01 0.024 1. BD ( 1)Al 1 -Br 3 / 98. RY*( 6)Al 2 0.52 0.96 0.020 1. BD ( 1)Al 1 -Br 3 /168. BD*( 1)Al 1 -Br 4 1.15 0.71 0.026 1. BD ( 1)Al 1 -Br 3 /169. BD*( 1)Al 1 -Cl 5 1.32 0.74 0.028 1. BD ( 1)Al 1 -Br 3 /170. BD*( 1)Al 1 -Cl 6 3.04 0.66 0.041 1. BD ( 1)Al 1 -Br 3 /171. BD*( 1)Al 2 -Br 3 0.85 0.65 0.021 1. BD ( 1)Al 1 -Br 3 /172. BD*( 1)Al 2 -Cl 6 2.51 0.67 0.037 1. BD ( 1)Al 1 -Br 3 /173. BD*( 1)Al 2 -Cl 7 0.73 0.75 0.021 1. BD ( 1)Al 1 -Br 3 /174. BD*( 1)Al 2 -Cl 8 0.72 0.75 0.021 2. BD ( 1)Al 1 -Br 4 / 85. RY*( 3)Al 1 1.59 1.05 0.037 2. BD ( 1)Al 1 -Br 4 /167. BD*( 1)Al 1 -Br 3 1.76 0.70 0.032 2. BD ( 1)Al 1 -Br 4 /169. BD*( 1)Al 1 -Cl 5 0.84 0.80 0.023 2. BD ( 1)Al 1 -Br 4 /170. BD*( 1)Al 1 -Cl 6 1.95 0.72 0.034 3. BD ( 1)Al 1 -Cl 5 / 83. RY*( 1)Al 1 0.57 1.12 0.023 3. BD ( 1)Al 1 -Cl 5 / 85. RY*( 3)Al 1 0.62 1.09 0.023 3. BD ( 1)Al 1 -Cl 5 /167. BD*( 1)Al 1 -Br 3 1.78 0.74 0.033 3. BD ( 1)Al 1 -Cl 5 /168. BD*( 1)Al 1 -Br 4 0.79 0.81 0.023 3. BD ( 1)Al 1 -Cl 5 /170. BD*( 1)Al 1 -Cl 6 1.95 0.75 0.035 4. BD ( 1)Al 1 -Cl 6 /167. BD*( 1)Al 1 -Br 3 2.53 0.68 0.038 4. BD ( 1)Al 1 -Cl 6 /168. BD*( 1)Al 1 -Br 4 1.11 0.75 0.026 4. BD ( 1)Al 1 -Cl 6 /169. BD*( 1)Al 1 -Cl 5 1.27 0.78 0.028 4. BD ( 1)Al 1 -Cl 6 /171. BD*( 1)Al 2 -Br 3 1.86 0.69 0.033 4. BD ( 1)Al 1 -Cl 6 /172. BD*( 1)Al 2 -Cl 6 0.84 0.71 0.022 4. BD ( 1)Al 1 -Cl 6 /173. BD*( 1)Al 2 -Cl 7 0.62 0.79 0.020 4. BD ( 1)Al 1 -Cl 6 /174. BD*( 1)Al 2 -Cl 8 0.61 0.79 0.020 5. BD ( 1)Al 2 -Br 3 / 84. RY*( 2)Al 1 0.50 1.00 0.020 5. BD ( 1)Al 2 -Br 3 / 94. RY*( 2)Al 2 0.69 1.02 0.024 5. BD ( 1)Al 2 -Br 3 /167. BD*( 1)Al 1 -Br 3 0.87 0.63 0.021 5. BD ( 1)Al 2 -Br 3 /168. BD*( 1)Al 1 -Br 4 0.75 0.70 0.021 5. BD ( 1)Al 2 -Br 3 /169. BD*( 1)Al 1 -Cl 5 0.62 0.73 0.019 5. BD ( 1)Al 2 -Br 3 /170. BD*( 1)Al 1 -Cl 6 2.78 0.65 0.039 5. BD ( 1)Al 2 -Br 3 /172. BD*( 1)Al 2 -Cl 6 2.88 0.66 0.040 5. BD ( 1)Al 2 -Br 3 /173. BD*( 1)Al 2 -Cl 7 1.24 0.74 0.027 5. BD ( 1)Al 2 -Br 3 /174. BD*( 1)Al 2 -Cl 8 1.23 0.74 0.027 6. BD ( 1)Al 2 -Cl 6 /167. BD*( 1)Al 1 -Br 3 2.02 0.68 0.034 6. BD ( 1)Al 2 -Cl 6 /168. BD*( 1)Al 1 -Br 4 0.61 0.75 0.019 6. BD ( 1)Al 2 -Cl 6 /169. BD*( 1)Al 1 -Cl 5 0.51 0.77 0.018 6. BD ( 1)Al 2 -Cl 6 /170. BD*( 1)Al 1 -Cl 6 0.85 0.69 0.022 6. BD ( 1)Al 2 -Cl 6 /171. BD*( 1)Al 2 -Br 3 2.41 0.68 0.037 6. BD ( 1)Al 2 -Cl 6 /173. BD*( 1)Al 2 -Cl 7 1.19 0.78 0.027 6. BD ( 1)Al 2 -Cl 6 /174. BD*( 1)Al 2 -Cl 8 1.18 0.78 0.027 7. BD ( 1)Al 2 -Cl 7 / 95. RY*( 3)Al 2 0.78 1.13 0.027 7. BD ( 1)Al 2 -Cl 7 /171. BD*( 1)Al 2 -Br 3 1.66 0.73 0.032 7. BD ( 1)Al 2 -Cl 7 /172. BD*( 1)Al 2 -Cl 6 1.81 0.75 0.034 7. BD ( 1)Al 2 -Cl 7 /174. BD*( 1)Al 2 -Cl 8 0.88 0.83 0.024 8. BD ( 1)Al 2 -Cl 8 / 95. RY*( 3)Al 2 0.78 1.13 0.027 8. BD ( 1)Al 2 -Cl 8 /171. BD*( 1)Al 2 -Br 3 1.66 0.73 0.032 8. BD ( 1)Al 2 -Cl 8 /172. BD*( 1)Al 2 -Cl 6 1.80 0.75 0.034 8. BD ( 1)Al 2 -Cl 8 /173. BD*( 1)Al 2 -Cl 7 0.88 0.83 0.024 10. CR ( 2)Al 1 /171. BD*( 1)Al 2 -Br 3 0.64 4.93 0.052 10. CR ( 2)Al 1 /172. BD*( 1)Al 2 -Cl 6 0.86 4.95 0.060 15. CR ( 2)Al 2 /167. BD*( 1)Al 1 -Br 3 0.72 4.94 0.055 15. CR ( 2)Al 2 /170. BD*( 1)Al 1 -Cl 6 0.97 4.96 0.064 20. CR ( 2)Br 3 / 83. RY*( 1)Al 1 0.55 68.55 0.174 20. CR ( 2)Br 3 / 84. RY*( 2)Al 1 1.47 68.53 0.285 20. CR ( 2)Br 3 / 91. RY*( 9)Al 1 0.53 68.36 0.171 20. CR ( 2)Br 3 / 94. RY*( 2)Al 2 1.42 68.55 0.280 34. CR ( 2)Br 4 / 85. RY*( 3)Al 1 3.16 68.38 0.417 34. CR ( 2)Br 4 / 87. RY*( 5)Al 1 0.97 68.29 0.230 35. CR ( 3)Br 4 / 85. RY*( 3)Al 1 1.15 8.73 0.090 35. CR ( 3)Br 4 / 87. RY*( 5)Al 1 0.51 8.63 0.059 35. CR ( 3)Br 4 /169. BD*( 1)Al 1 -Cl 5 0.52 8.47 0.061 48. CR ( 2)Cl 5 / 83. RY*( 1)Al 1 1.23 10.58 0.103 48. CR ( 2)Cl 5 / 85. RY*( 3)Al 1 1.29 10.55 0.105 48. CR ( 2)Cl 5 / 88. RY*( 6)Al 1 0.62 10.47 0.072 53. CR ( 2)Cl 6 / 83. RY*( 1)Al 1 0.53 10.68 0.068 53. CR ( 2)Cl 6 / 84. RY*( 2)Al 1 0.71 10.66 0.078 53. CR ( 2)Cl 6 / 93. RY*( 1)Al 2 0.50 10.71 0.066 53. CR ( 2)Cl 6 / 94. RY*( 2)Al 2 0.61 10.68 0.072 58. CR ( 2)Cl 7 / 93. RY*( 1)Al 2 0.58 10.62 0.071 58. CR ( 2)Cl 7 / 95. RY*( 3)Al 2 1.56 10.62 0.115 58. CR ( 2)Cl 7 / 97. RY*( 5)Al 2 0.53 10.44 0.066 63. CR ( 2)Cl 8 / 93. RY*( 1)Al 2 0.59 10.62 0.071 63. CR ( 2)Cl 8 / 95. RY*( 3)Al 2 1.56 10.62 0.115 63. CR ( 2)Cl 8 / 97. RY*( 5)Al 2 0.62 10.44 0.072 67. LP ( 1)Br 3 / 83. RY*( 1)Al 1 0.63 1.28 0.025 67. LP ( 1)Br 3 / 84. RY*( 2)Al 1 1.61 1.26 0.040 67. LP ( 1)Br 3 / 89. RY*( 7)Al 1 0.77 1.13 0.027 67. LP ( 1)Br 3 / 93. RY*( 1)Al 2 0.50 1.31 0.023 67. LP ( 1)Br 3 / 94. RY*( 2)Al 2 1.47 1.28 0.039 67. LP ( 1)Br 3 / 99. RY*( 7)Al 2 0.78 1.11 0.026 68. LP ( 2)Br 3 /168. BD*( 1)Al 1 -Br 4 2.93 0.45 0.032 68. LP ( 2)Br 3 /169. BD*( 1)Al 1 -Cl 5 3.10 0.47 0.034 68. LP ( 2)Br 3 /173. BD*( 1)Al 2 -Cl 7 2.95 0.48 0.034 68. LP ( 2)Br 3 /174. BD*( 1)Al 2 -Cl 8 2.97 0.48 0.034 69. LP ( 1)Br 4 / 85. RY*( 3)Al 1 3.70 1.33 0.063 69. LP ( 1)Br 4 / 87. RY*( 5)Al 1 1.84 1.23 0.043 69. LP ( 1)Br 4 /169. BD*( 1)Al 1 -Cl 5 1.43 1.07 0.036 70. LP ( 2)Br 4 / 83. RY*( 1)Al 1 2.52 0.72 0.038 70. LP ( 2)Br 4 / 88. RY*( 6)Al 1 0.63 0.61 0.018 70. LP ( 2)Br 4 /167. BD*( 1)Al 1 -Br 3 3.13 0.33 0.029 70. LP ( 2)Br 4 /169. BD*( 1)Al 1 -Cl 5 6.65 0.42 0.047 70. LP ( 2)Br 4 /170. BD*( 1)Al 1 -Cl 6 3.05 0.34 0.029 71. LP ( 3)Br 4 / 84. RY*( 2)Al 1 1.47 0.70 0.029 71. LP ( 3)Br 4 / 86. RY*( 4)Al 1 1.46 0.73 0.030 71. LP ( 3)Br 4 /167. BD*( 1)Al 1 -Br 3 6.76 0.33 0.043 71. LP ( 3)Br 4 /170. BD*( 1)Al 1 -Cl 6 6.76 0.35 0.044 72. LP ( 1)Cl 5 / 83. RY*( 1)Al 1 1.49 1.28 0.039 72. LP ( 1)Cl 5 / 85. RY*( 3)Al 1 1.53 1.25 0.039 72. LP ( 1)Cl 5 / 88. RY*( 6)Al 1 0.88 1.17 0.029 72. LP ( 1)Cl 5 /168. BD*( 1)Al 1 -Br 4 1.12 0.97 0.030 73. LP ( 2)Cl 5 / 83. RY*( 1)Al 1 1.43 0.74 0.029 73. LP ( 2)Cl 5 / 85. RY*( 3)Al 1 1.22 0.70 0.026 73. LP ( 2)Cl 5 / 87. RY*( 5)Al 1 0.69 0.61 0.018 73. LP ( 2)Cl 5 /167. BD*( 1)Al 1 -Br 3 2.99 0.35 0.029 73. LP ( 2)Cl 5 /168. BD*( 1)Al 1 -Br 4 6.42 0.42 0.047 73. LP ( 2)Cl 5 /170. BD*( 1)Al 1 -Cl 6 2.96 0.37 0.030 74. LP ( 3)Cl 5 / 84. RY*( 2)Al 1 0.94 0.72 0.024 74. LP ( 3)Cl 5 / 86. RY*( 4)Al 1 2.09 0.75 0.036 74. LP ( 3)Cl 5 /167. BD*( 1)Al 1 -Br 3 6.30 0.35 0.043 74. LP ( 3)Cl 5 /170. BD*( 1)Al 1 -Cl 6 6.29 0.37 0.044 75. LP ( 1)Cl 6 / 83. RY*( 1)Al 1 0.58 1.20 0.024 75. LP ( 1)Cl 6 / 84. RY*( 2)Al 1 0.94 1.18 0.030 75. LP ( 1)Cl 6 / 90. RY*( 8)Al 1 0.55 1.12 0.022 75. LP ( 1)Cl 6 / 93. RY*( 1)Al 2 0.53 1.22 0.023 75. LP ( 1)Cl 6 / 94. RY*( 2)Al 2 0.81 1.20 0.028 75. LP ( 1)Cl 6 /100. RY*( 8)Al 2 0.55 1.10 0.022 76. LP ( 2)Cl 6 /168. BD*( 1)Al 1 -Br 4 2.62 0.47 0.032 76. LP ( 2)Cl 6 /169. BD*( 1)Al 1 -Cl 5 2.78 0.50 0.034 76. LP ( 2)Cl 6 /173. BD*( 1)Al 2 -Cl 7 2.69 0.51 0.033 76. LP ( 2)Cl 6 /174. BD*( 1)Al 2 -Cl 8 2.71 0.51 0.033 77. LP ( 1)Cl 7 / 93. RY*( 1)Al 2 0.68 1.31 0.027 77. LP ( 1)Cl 7 / 95. RY*( 3)Al 2 1.69 1.31 0.042 77. LP ( 1)Cl 7 / 97. RY*( 5)Al 2 0.85 1.13 0.028 77. LP ( 1)Cl 7 /174. BD*( 1)Al 2 -Cl 8 0.99 1.00 0.028 78. LP ( 2)Cl 7 / 93. RY*( 1)Al 2 2.14 0.76 0.036 78. LP ( 2)Cl 7 / 95. RY*( 3)Al 2 0.53 0.76 0.018 78. LP ( 2)Cl 7 /171. BD*( 1)Al 2 -Br 3 2.77 0.36 0.029 78. LP ( 2)Cl 7 /172. BD*( 1)Al 2 -Cl 6 2.85 0.38 0.030 78. LP ( 2)Cl 7 /174. BD*( 1)Al 2 -Cl 8 6.27 0.45 0.048 79. LP ( 3)Cl 7 / 94. RY*( 2)Al 2 1.24 0.74 0.027 79. LP ( 3)Cl 7 / 96. RY*( 4)Al 2 1.74 0.76 0.033 79. LP ( 3)Cl 7 /171. BD*( 1)Al 2 -Br 3 6.34 0.36 0.043 79. LP ( 3)Cl 7 /172. BD*( 1)Al 2 -Cl 6 6.16 0.38 0.044 80. LP ( 1)Cl 8 / 93. RY*( 1)Al 2 0.70 1.31 0.027 80. LP ( 1)Cl 8 / 95. RY*( 3)Al 2 1.69 1.31 0.042 80. LP ( 1)Cl 8 / 97. RY*( 5)Al 2 0.98 1.13 0.030 80. LP ( 1)Cl 8 /173. BD*( 1)Al 2 -Cl 7 0.99 1.00 0.028 81. LP ( 2)Cl 8 / 93. RY*( 1)Al 2 2.14 0.76 0.036 81. LP ( 2)Cl 8 / 95. RY*( 3)Al 2 0.54 0.76 0.018 81. LP ( 2)Cl 8 / 98. RY*( 6)Al 2 0.54 0.66 0.017 81. LP ( 2)Cl 8 /171. BD*( 1)Al 2 -Br 3 2.83 0.36 0.029 81. LP ( 2)Cl 8 /172. BD*( 1)Al 2 -Cl 6 2.79 0.38 0.029 81. LP ( 2)Cl 8 /173. BD*( 1)Al 2 -Cl 7 6.29 0.45 0.048 82. LP ( 3)Cl 8 / 94. RY*( 2)Al 2 1.25 0.74 0.027 82. LP ( 3)Cl 8 / 96. RY*( 4)Al 2 1.74 0.76 0.033 82. LP ( 3)Cl 8 /171. BD*( 1)Al 2 -Br 3 6.29 0.36 0.043 82. LP ( 3)Cl 8 /172. BD*( 1)Al 2 -Cl 6 6.24 0.38 0.044 167. BD*( 1)Al 1 -Br 3 / 83. RY*( 1)Al 1 0.75 0.39 0.053 167. BD*( 1)Al 1 -Br 3 / 84. RY*( 2)Al 1 2.40 0.37 0.094 167. BD*( 1)Al 1 -Br 3 /109. RY*( 7)Br 3 0.50 0.57 0.058 167. BD*( 1)Al 1 -Br 3 /168. BD*( 1)Al 1 -Br 4 2.42 0.07 0.036 167. BD*( 1)Al 1 -Br 3 /169. BD*( 1)Al 1 -Cl 5 1.79 0.10 0.035 167. BD*( 1)Al 1 -Br 3 /170. BD*( 1)Al 1 -Cl 6 4.07 0.02 0.019 167. BD*( 1)Al 1 -Br 3 /172. BD*( 1)Al 2 -Cl 6 0.79 0.03 0.011 170. BD*( 1)Al 1 -Cl 6 / 83. RY*( 1)Al 1 1.52 0.37 0.073 170. BD*( 1)Al 1 -Cl 6 / 84. RY*( 2)Al 1 3.04 0.35 0.102 170. BD*( 1)Al 1 -Cl 6 /140. RY*( 4)Cl 6 0.51 1.03 0.078 170. BD*( 1)Al 1 -Cl 6 /143. RY*( 7)Cl 6 0.81 0.54 0.071 170. BD*( 1)Al 1 -Cl 6 /168. BD*( 1)Al 1 -Br 4 2.76 0.05 0.033 170. BD*( 1)Al 1 -Cl 6 /169. BD*( 1)Al 1 -Cl 5 1.90 0.08 0.033 171. BD*( 1)Al 2 -Br 3 / 93. RY*( 1)Al 2 0.64 0.40 0.053 171. BD*( 1)Al 2 -Br 3 / 94. RY*( 2)Al 2 2.26 0.38 0.097 171. BD*( 1)Al 2 -Br 3 /109. RY*( 7)Br 3 0.55 0.56 0.063 171. BD*( 1)Al 2 -Br 3 /172. BD*( 1)Al 2 -Cl 6 3.82 0.02 0.021 171. BD*( 1)Al 2 -Br 3 /173. BD*( 1)Al 2 -Cl 7 1.86 0.10 0.038 171. BD*( 1)Al 2 -Br 3 /174. BD*( 1)Al 2 -Cl 8 1.86 0.10 0.038 172. BD*( 1)Al 2 -Cl 6 / 93. RY*( 1)Al 2 1.48 0.39 0.077 172. BD*( 1)Al 2 -Cl 6 / 94. RY*( 2)Al 2 2.68 0.36 0.102 172. BD*( 1)Al 2 -Cl 6 /143. RY*( 7)Cl 6 0.83 0.53 0.075 172. BD*( 1)Al 2 -Cl 6 /173. BD*( 1)Al 2 -Cl 7 2.02 0.08 0.035 172. BD*( 1)Al 2 -Cl 6 /174. BD*( 1)Al 2 -Cl 8 2.03 0.08 0.035 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (Al2Cl4Br2) 1. BD ( 1)Al 1 -Br 3 1.96232 -0.62874 170(g),172(v),169(g),168(g) 171(g),173(v),84(g),174(v) 98(v) 2. BD ( 1)Al 1 -Br 4 1.97080 -0.68636 170(g),167(g),85(g),169(g) 3. BD ( 1)Al 1 -Cl 5 1.97632 -0.72319 170(g),167(g),168(g),85(g) 83(g) 4. BD ( 1)Al 1 -Cl 6 1.96926 -0.66968 167(g),171(v),169(g),168(g) 172(g),173(v),174(v) 5. BD ( 1)Al 2 -Br 3 1.96225 -0.62025 172(g),170(v),173(g),174(g) 167(g),168(v),94(g),169(v) 6. BD ( 1)Al 2 -Cl 6 1.96935 -0.66236 171(g),167(v),173(g),174(g) 170(g),168(v),169(v) 7. BD ( 1)Al 2 -Cl 7 1.97690 -0.71288 172(g),171(g),174(g),95(g) 8. BD ( 1)Al 2 -Cl 8 1.97689 -0.71278 172(g),171(g),173(g),95(g) 9. CR ( 1)Al 1 2.00000 -55.47105 10. CR ( 2)Al 1 1.99955 -4.91161 172(v),171(v) 11. CR ( 3)Al 1 1.99993 -2.79794 12. CR ( 4)Al 1 1.99996 -2.79518 13. CR ( 5)Al 1 1.99992 -2.79970 14. CR ( 1)Al 2 2.00000 -55.45070 15. CR ( 2)Al 2 1.99949 -4.92787 170(v),167(v) 16. CR ( 3)Al 2 1.99993 -2.79621 17. CR ( 4)Al 2 1.99996 -2.79358 18. CR ( 5)Al 2 1.99992 -2.79821 19. CR ( 1)Br 3 2.00000 -476.60123 20. CR ( 2)Br 3 1.99992 -68.15184 84(v),94(v),83(v),91(v) 21. CR ( 3)Br 3 1.99980 -8.38097 22. CR ( 4)Br 3 1.99999 -54.62357 23. CR ( 5)Br 3 1.99991 -8.42888 24. CR ( 6)Br 3 2.00000 -54.62163 25. CR ( 7)Br 3 1.99998 -8.42486 26. CR ( 8)Br 3 1.99999 -54.62316 27. CR ( 9)Br 3 1.99995 -8.42900 28. CR ( 10)Br 3 1.99999 -2.71337 29. CR ( 11)Br 3 1.99994 -2.71741 30. CR ( 12)Br 3 1.99999 -2.71331 31. CR ( 13)Br 3 1.99998 -2.71340 32. CR ( 14)Br 3 1.99998 -2.71598 33. CR ( 1)Br 4 2.00000 -476.57455 34. CR ( 2)Br 4 1.99992 -68.01782 85(v),87(v) 35. CR ( 3)Br 4 1.99980 -8.36137 85(v),169(v),87(v) 36. CR ( 4)Br 4 1.99999 -55.09156 37. CR ( 5)Br 4 1.99994 -7.85487 38. CR ( 6)Br 4 1.99999 -55.09168 39. CR ( 7)Br 4 1.99993 -7.85527 40. CR ( 8)Br 4 2.00000 -55.09069 41. CR ( 9)Br 4 1.99998 -7.85251 42. CR ( 10)Br 4 1.99996 -2.66389 43. CR ( 11)Br 4 1.99999 -2.66103 44. CR ( 12)Br 4 1.99999 -2.66142 45. CR ( 13)Br 4 1.99998 -2.66375 46. CR ( 14)Br 4 1.99999 -2.66043 47. CR ( 1)Cl 5 2.00000 -100.48364 48. CR ( 2)Cl 5 1.99978 -10.18449 85(v),83(v),88(v) 49. CR ( 3)Cl 5 1.99998 -7.22119 50. CR ( 4)Cl 5 1.99994 -7.22492 51. CR ( 5)Cl 5 1.99999 -7.22113 52. CR ( 1)Cl 6 2.00000 -100.50901 53. CR ( 2)Cl 6 1.99979 -10.28316 84(v),94(v),83(v),93(v) 54. CR ( 3)Cl 6 1.99994 -7.27725 55. CR ( 4)Cl 6 1.99998 -7.27377 56. CR ( 5)Cl 6 1.99997 -7.27673 57. CR ( 1)Cl 7 2.00000 -100.48117 58. CR ( 2)Cl 7 1.99978 -10.19545 95(v),93(v),97(v) 59. CR ( 3)Cl 7 1.99998 -7.22089 60. CR ( 4)Cl 7 1.99994 -7.22442 61. CR ( 5)Cl 7 1.99999 -7.22071 62. CR ( 1)Cl 8 2.00000 -100.48038 63. CR ( 2)Cl 8 1.99978 -10.19570 95(v),97(v),93(v) 64. CR ( 3)Cl 8 1.99997 -7.22230 65. CR ( 4)Cl 8 1.99996 -7.22257 66. CR ( 5)Cl 8 1.99999 -7.22054 67. LP ( 1)Br 3 1.98128 -0.88414 84(v),94(v),99(v),89(v) 83(v),93(v) 68. LP ( 2)Br 3 1.94474 -0.36233 169(v),174(v),173(v),168(v) 69. LP ( 1)Br 4 1.98105 -0.96499 85(v),87(v),169(v) 70. LP ( 2)Br 4 1.92218 -0.31478 169(v),167(v),170(v),83(v) 88(v) 71. LP ( 3)Br 4 1.91412 -0.31620 170(v),167(v),86(v),84(v) 72. LP ( 1)Cl 5 1.98315 -0.88280 85(v),83(v),168(v),88(v) 73. LP ( 2)Cl 5 1.93237 -0.33709 168(v),167(v),170(v),83(v) 85(v),87(v) 74. LP ( 3)Cl 5 1.92601 -0.33855 167(v),170(v),86(v),84(v) 75. LP ( 1)Cl 6 1.98227 -0.79744 84(v),94(v),83(v),90(v) 100(v),93(v) 76. LP ( 2)Cl 6 1.95394 -0.39029 169(v),174(v),173(v),168(v) 77. LP ( 1)Cl 7 1.98463 -0.88370 95(v),174(v),97(v),93(v) 78. LP ( 2)Cl 7 1.93414 -0.33731 174(v),172(v),171(v),93(v) 95(v) 79. LP ( 3)Cl 7 1.92725 -0.33847 171(v),172(v),96(v),94(v) 80. LP ( 1)Cl 8 1.98461 -0.88359 95(v),173(v),97(v),93(v) 81. LP ( 2)Cl 8 1.93393 -0.33704 173(v),171(v),172(v),93(v) 95(v),98(v) 82. LP ( 3)Cl 8 1.92703 -0.33822 171(v),172(v),96(v),94(v) 83. RY*( 1)Al 1 0.02696 0.40048 84. RY*( 2)Al 1 0.02278 0.38031 85. RY*( 3)Al 1 0.02049 0.36460 86. RY*( 4)Al 1 0.00921 0.41580 87. RY*( 5)Al 1 0.00466 0.26853 88. RY*( 6)Al 1 0.00334 0.29048 89. RY*( 7)Al 1 0.00214 0.25000 90. RY*( 8)Al 1 0.00183 0.31855 91. RY*( 9)Al 1 0.00076 0.20401 92. RY*( 10)Al 1 0.00001 1.98342 93. RY*( 1)Al 2 0.02448 0.42377 94. RY*( 2)Al 2 0.02099 0.39763 95. RY*( 3)Al 2 0.01942 0.42208 96. RY*( 4)Al 2 0.00887 0.42061 97. RY*( 5)Al 2 0.00364 0.24521 98. RY*( 6)Al 2 0.00346 0.32722 99. RY*( 7)Al 2 0.00209 0.22155 100. RY*( 8)Al 2 0.00175 0.29789 101. RY*( 9)Al 2 0.00057 0.21214 102. RY*( 10)Al 2 0.00001 1.96784 103. RY*( 1)Br 3 0.00049 0.56920 104. RY*( 2)Br 3 0.00044 0.77053 105. RY*( 3)Br 3 0.00041 0.56755 106. RY*( 4)Br 3 0.00036 0.86500 107. RY*( 5)Br 3 0.00023 0.48497 108. RY*( 6)Br 3 0.00019 1.34141 109. RY*( 7)Br 3 0.00008 0.58566 110. RY*( 8)Br 3 0.00002 4.02463 111. RY*( 9)Br 3 0.00003 0.58562 112. RY*( 10)Br 3 0.00000 22.23318 113. RY*( 11)Br 3 0.00001 12.53375 114. RY*( 12)Br 3 0.00000 47.30777 115. RY*( 1)Br 4 0.00027 0.72603 116. RY*( 2)Br 4 0.00021 0.84599 117. RY*( 3)Br 4 0.00015 0.55920 118. RY*( 4)Br 4 0.00010 0.54124 119. RY*( 5)Br 4 0.00005 0.52451 120. RY*( 6)Br 4 0.00004 5.45545 121. RY*( 7)Br 4 0.00004 1.77091 122. RY*( 8)Br 4 0.00002 1.16665 123. RY*( 9)Br 4 0.00001 12.60960 124. RY*( 10)Br 4 0.00001 0.67789 125. RY*( 11)Br 4 0.00000 43.66120 126. RY*( 12)Br 4 0.00000 23.09451 127. RY*( 1)Cl 5 0.00026 0.79208 128. RY*( 2)Cl 5 0.00014 0.79785 129. RY*( 3)Cl 5 0.00013 0.69201 130. RY*( 4)Cl 5 0.00011 0.75511 131. RY*( 5)Cl 5 0.00007 0.74280 132. RY*( 6)Cl 5 0.00004 0.76078 133. RY*( 7)Cl 5 0.00002 0.77380 134. RY*( 8)Cl 5 0.00000 4.16086 135. RY*( 9)Cl 5 0.00001 0.84913 136. RY*( 10)Cl 5 0.00000 0.85423 137. RY*( 1)Cl 6 0.00040 0.80683 138. RY*( 2)Cl 6 0.00031 0.82855 139. RY*( 3)Cl 6 0.00028 0.83404 140. RY*( 4)Cl 6 0.00024 1.05744 141. RY*( 5)Cl 6 0.00016 0.76731 142. RY*( 6)Cl 6 0.00013 0.64041 143. RY*( 7)Cl 6 0.00012 0.57275 144. RY*( 8)Cl 6 0.00005 0.58520 145. RY*( 9)Cl 6 0.00002 0.83936 146. RY*( 10)Cl 6 0.00000 4.15218 147. RY*( 1)Cl 7 0.00023 0.82896 148. RY*( 2)Cl 7 0.00015 0.84614 149. RY*( 3)Cl 7 0.00011 0.65428 150. RY*( 4)Cl 7 0.00010 0.81716 151. RY*( 5)Cl 7 0.00006 0.57666 152. RY*( 6)Cl 7 0.00003 0.78442 153. RY*( 7)Cl 7 0.00001 0.84755 154. RY*( 8)Cl 7 0.00001 0.82255 155. RY*( 9)Cl 7 0.00000 4.14797 156. RY*( 10)Cl 7 0.00000 0.82240 157. RY*( 1)Cl 8 0.00022 0.83101 158. RY*( 2)Cl 8 0.00014 0.84723 159. RY*( 3)Cl 8 0.00010 0.84993 160. RY*( 4)Cl 8 0.00011 0.62484 161. RY*( 5)Cl 8 0.00006 0.57590 162. RY*( 6)Cl 8 0.00003 0.82289 163. RY*( 7)Cl 8 0.00000 4.19943 164. RY*( 8)Cl 8 0.00001 0.84819 165. RY*( 9)Cl 8 0.00001 0.73830 166. RY*( 10)Cl 8 0.00001 0.81172 167. BD*( 1)Al 1 -Br 3 0.13652 0.01319 171(g),84(g),170(g),168(g) 169(g),83(g),109(g) 168. BD*( 1)Al 1 -Br 4 0.07732 0.08408 169. BD*( 1)Al 1 -Cl 5 0.08458 0.10913 170. BD*( 1)Al 1 -Cl 6 0.13999 0.02916 172(g),84(g),167(g),168(g) 83(g),171(v),169(g),143(g) 140(g) 171. BD*( 1)Al 2 -Br 3 0.12437 0.02081 167(g),94(g),172(g),173(g) 174(g),170(v),109(g),93(g) 172. BD*( 1)Al 2 -Cl 6 0.12703 0.03857 170(g),94(g),171(g),174(g) 173(g),93(g),143(g) 173. BD*( 1)Al 2 -Cl 7 0.07628 0.11636 174. BD*( 1)Al 2 -Cl 8 0.07633 0.11659 ------------------------------- Total Lewis 162.97308 ( 99.3738%) Valence non-Lewis 0.84242 ( 0.5137%) Rydberg non-Lewis 0.18449 ( 0.1125%) ------------------------------- Total unit 1 164.00000 (100.0000%) Charge unit 1 0.00000 Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. Full mass-weighted force constant matrix: Low frequencies --- -3.7546 0.0048 0.0069 0.0085 2.9742 5.3975 Low frequencies --- 15.0735 58.8032 81.4340 Diagonal vibrational polarizability: 96.9746283 80.5306106 40.4309740 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering activities (A**4/AMU), depolarization ratios for plane and unpolarized incident light, reduced masses (AMU), force constants (mDyne/A), and normal coordinates: 1 2 3 A A A Frequencies -- 15.0242 58.8019 81.4338 Red. masses -- 42.9565 40.3537 43.1089 Frc consts -- 0.0057 0.0822 0.1684 IR Inten -- 0.4780 0.0019 0.0562 Atom AN X Y Z X Y Z X Y Z 1 13 0.03 0.07 0.01 -0.01 0.03 -0.12 0.10 -0.16 0.02 2 13 0.06 -0.03 0.00 0.00 0.00 -0.01 -0.24 0.04 0.00 3 35 -0.02 0.27 -0.01 0.08 -0.07 -0.06 -0.13 0.11 -0.10 4 35 -0.26 -0.20 -0.04 -0.04 0.02 0.33 0.39 0.09 -0.02 5 17 0.38 -0.02 0.10 0.01 -0.01 -0.52 0.44 -0.25 0.07 6 17 -0.02 0.37 -0.02 -0.07 0.08 -0.07 -0.09 0.01 0.10 7 17 0.52 -0.18 -0.05 0.02 -0.01 -0.49 -0.34 0.06 -0.05 8 17 -0.30 -0.35 0.06 -0.04 0.03 0.58 -0.50 -0.18 0.14 4 5 6 A A A Frequencies -- 95.0326 108.1282 112.3154 Red. masses -- 45.6803 36.3790 42.8462 Frc consts -- 0.2431 0.2506 0.3185 IR Inten -- 0.3649 0.0539 5.9818 Atom AN X Y Z X Y Z X Y Z 1 13 -0.02 -0.18 0.13 0.01 0.29 -0.02 -0.04 0.07 0.29 2 13 0.06 -0.04 0.02 0.07 -0.36 0.01 -0.02 -0.03 0.15 3 35 -0.16 0.40 0.12 0.04 0.08 -0.06 -0.10 -0.10 0.38 4 35 0.10 -0.10 -0.19 -0.21 0.12 -0.03 -0.02 0.09 -0.16 5 17 -0.33 -0.10 0.11 0.42 0.20 0.14 0.27 -0.07 -0.54 6 17 0.13 -0.44 0.09 0.10 -0.24 0.03 0.01 0.10 0.33 7 17 0.13 -0.07 -0.45 -0.47 -0.21 -0.09 -0.01 -0.03 -0.27 8 17 0.17 0.09 0.28 0.28 -0.16 0.13 0.05 -0.02 -0.35 7 8 9 A A A Frequencies -- 123.7562 148.2305 155.0881 Red. masses -- 41.0526 34.7951 36.4291 Frc consts -- 0.3704 0.4504 0.5162 IR Inten -- 8.8427 3.7356 5.3529 Atom AN X Y Z X Y Z X Y Z 1 13 0.22 0.07 0.01 0.19 0.11 0.42 0.02 -0.14 -0.03 2 13 0.10 0.07 0.11 0.16 -0.01 -0.41 0.05 -0.33 0.06 3 35 0.33 0.08 0.08 -0.22 -0.06 -0.06 -0.03 0.16 0.00 4 35 -0.02 -0.18 0.02 0.01 -0.11 -0.08 0.15 -0.09 0.04 5 17 -0.35 0.23 0.02 -0.10 0.16 -0.25 -0.22 -0.09 -0.04 6 17 0.15 0.03 0.13 0.43 0.14 0.01 -0.20 0.63 -0.03 7 17 -0.38 0.22 -0.24 -0.12 0.09 0.28 -0.29 -0.26 0.03 8 17 -0.34 -0.37 -0.21 -0.03 -0.11 0.28 0.39 -0.06 -0.06 10 11 12 A A A Frequencies -- 189.4079 227.5616 267.9366 Red. masses -- 36.2279 34.2348 39.8143 Frc consts -- 0.7658 1.0445 1.6840 IR Inten -- 0.7643 14.6053 5.6857 Atom AN X Y Z X Y Z X Y Z 1 13 0.31 0.20 0.04 -0.15 -0.08 0.63 0.15 0.21 -0.01 2 13 -0.39 -0.07 0.20 -0.19 -0.07 -0.52 -0.13 -0.05 -0.39 3 35 -0.03 -0.03 -0.23 0.31 0.07 -0.07 0.00 0.01 0.31 4 35 0.07 -0.17 0.00 -0.07 0.09 0.00 0.15 -0.18 0.02 5 17 -0.02 0.36 -0.04 -0.04 -0.22 0.01 0.12 0.41 0.02 6 17 -0.08 -0.03 0.49 -0.16 -0.01 0.10 -0.36 -0.13 -0.48 7 17 0.12 -0.28 -0.04 0.00 -0.17 -0.01 -0.02 -0.15 0.02 8 17 -0.03 0.30 -0.06 -0.07 0.15 -0.03 -0.10 0.13 0.00 13 14 15 A A A Frequencies -- 292.9117 395.8926 435.7688 Red. masses -- 34.4051 29.7852 30.6458 Frc consts -- 1.7392 2.7505 3.4287 IR Inten -- 44.8300 138.9577 284.5449 Atom AN X Y Z X Y Z X Y Z 1 13 -0.06 -0.07 -0.28 -0.09 0.05 0.58 0.86 -0.06 0.04 2 13 -0.38 -0.08 0.04 -0.05 0.02 0.62 0.21 0.05 0.06 3 35 0.08 0.03 0.14 0.01 -0.01 -0.12 -0.05 -0.01 0.02 4 35 -0.04 0.04 -0.01 0.03 -0.03 -0.02 -0.15 0.15 0.00 5 17 -0.04 -0.10 0.00 0.02 0.06 -0.05 -0.10 -0.25 0.02 6 17 0.62 0.13 -0.17 0.05 -0.02 -0.48 -0.14 -0.03 -0.12 7 17 -0.09 -0.37 0.05 -0.01 -0.05 -0.05 -0.05 -0.16 0.00 8 17 -0.24 0.30 0.01 -0.03 0.03 -0.05 -0.10 0.11 -0.02 16 17 18 A A A Frequencies -- 497.9646 576.3714 604.1882 Red. masses -- 29.7609 29.4418 29.1358 Frc consts -- 4.3480 5.7626 6.2664 IR Inten -- 85.7961 103.0120 195.8266 Atom AN X Y Z X Y Z X Y Z 1 13 -0.30 0.05 -0.02 -0.04 0.86 -0.05 -0.01 0.12 -0.01 2 13 0.75 0.17 0.02 -0.01 -0.12 0.01 -0.19 0.82 -0.05 3 35 -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 4 35 0.05 -0.04 0.00 0.07 -0.08 0.00 0.01 -0.01 0.00 5 17 0.03 0.04 0.00 -0.12 -0.46 0.03 -0.01 -0.06 0.00 6 17 -0.05 -0.01 0.11 0.00 -0.01 -0.01 0.00 -0.01 0.00 7 17 -0.13 -0.36 0.00 0.02 0.07 0.00 -0.10 -0.35 0.00 8 17 -0.27 0.27 -0.03 -0.03 0.03 0.00 0.24 -0.27 0.03 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 13 and mass 26.98154 Atom 2 has atomic number 13 and mass 26.98154 Atom 3 has atomic number 35 and mass 78.91834 Atom 4 has atomic number 35 and mass 78.91834 Atom 5 has atomic number 17 and mass 34.96885 Atom 6 has atomic number 17 and mass 34.96885 Atom 7 has atomic number 17 and mass 34.96885 Atom 8 has atomic number 17 and mass 34.96885 Molecular mass: 351.67517 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 3209.585716554.126587426.56622 X 0.99971 0.02351 0.00571 Y -0.02343 0.99963 -0.01405 Z -0.00604 0.01391 0.99989 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.02699 0.01322 0.01166 Rotational constants (GHZ): 0.56230 0.27536 0.24301 Zero-point vibrational energy 26233.0 (Joules/Mol) 6.26984 (Kcal/Mol) Warning -- explicit consideration of 18 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 21.62 84.60 117.16 136.73 155.57 (Kelvin) 161.60 178.06 213.27 223.14 272.52 327.41 385.50 421.43 569.60 626.97 716.46 829.27 869.29 Zero-point correction= 0.009992 (Hartree/Particle) Thermal correction to Energy= 0.022601 Thermal correction to Enthalpy= 0.023545 Thermal correction to Gibbs Free Energy= -0.034173 Sum of electronic and zero-point Energies= -7469.529873 Sum of electronic and thermal Energies= -7469.517264 Sum of electronic and thermal Enthalpies= -7469.516319 Sum of electronic and thermal Free Energies= -7469.574037 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 14.182 36.753 121.478 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 43.467 Rotational 0.889 2.981 33.413 Vibrational 12.405 30.791 44.598 Vibration 1 0.593 1.986 7.202 Vibration 2 0.596 1.974 4.497 Vibration 3 0.600 1.962 3.856 Vibration 4 0.603 1.953 3.554 Vibration 5 0.606 1.943 3.302 Vibration 6 0.607 1.939 3.229 Vibration 7 0.610 1.929 3.041 Vibration 8 0.618 1.905 2.695 Vibration 9 0.620 1.897 2.609 Vibration 10 0.633 1.854 2.234 Vibration 11 0.651 1.799 1.898 Vibration 12 0.673 1.732 1.609 Vibration 13 0.688 1.687 1.457 Vibration 14 0.763 1.479 0.978 Vibration 15 0.796 1.392 0.840 Vibration 16 0.853 1.255 0.663 Vibration 17 0.933 1.082 0.492 Vibration 18 0.963 1.023 0.443 Q Log10(Q) Ln(Q) Total Bot 0.522747D+16 15.718291 36.192703 Total V=0 0.206114D+21 20.314108 46.774962 Vib (Bot) 0.450714D+01 0.653901 1.505663 Vib (Bot) 1 0.137897D+02 1.139556 2.623925 Vib (Bot) 2 0.351232D+01 0.545594 1.256277 Vib (Bot) 3 0.252840D+01 0.402846 0.927588 Vib (Bot) 4 0.216157D+01 0.334770 0.770837 Vib (Bot) 5 0.189490D+01 0.277587 0.639168 Vib (Bot) 6 0.182263D+01 0.260700 0.600283 Vib (Bot) 7 0.164983D+01 0.217440 0.500675 Vib (Bot) 8 0.136862D+01 0.136284 0.313806 Vib (Bot) 9 0.130549D+01 0.115775 0.266581 Vib (Bot) 10 0.105689D+01 0.024030 0.055331 Vib (Bot) 11 0.866436D+00 -0.062264 -0.143367 Vib (Bot) 12 0.722052D+00 -0.141432 -0.325658 Vib (Bot) 13 0.651830D+00 -0.185866 -0.427972 Vib (Bot) 14 0.451563D+00 -0.345281 -0.795039 Vib (Bot) 15 0.398036D+00 -0.400077 -0.921212 Vib (Bot) 16 0.330646D+00 -0.480637 -1.106708 Vib (Bot) 17 0.265342D+00 -0.576194 -1.326736 Vib (Bot) 18 0.246076D+00 -0.608931 -1.402115 Vib (V=0) 0.177712D+06 5.249718 12.087922 Vib (V=0) 1 0.142988D+02 1.155300 2.660176 Vib (V=0) 2 0.404773D+01 0.607212 1.398156 Vib (V=0) 3 0.307737D+01 0.488179 1.124074 Vib (V=0) 4 0.271865D+01 0.434353 1.000135 Vib (V=0) 5 0.245976D+01 0.390893 0.900064 Vib (V=0) 6 0.238997D+01 0.378393 0.871282 Vib (V=0) 7 0.222394D+01 0.347122 0.799278 Vib (V=0) 8 0.195710D+01 0.291612 0.671463 Vib (V=0) 9 0.189797D+01 0.278289 0.640783 Vib (V=0) 10 0.166920D+01 0.222507 0.512342 Vib (V=0) 11 0.150036D+01 0.176194 0.405702 Vib (V=0) 12 0.137827D+01 0.139334 0.320829 Vib (V=0) 13 0.132151D+01 0.121071 0.278777 Vib (V=0) 14 0.117373D+01 0.069567 0.160185 Vib (V=0) 15 0.113909D+01 0.056557 0.130228 Vib (V=0) 16 0.109944D+01 0.041171 0.094800 Vib (V=0) 17 0.106604D+01 0.027775 0.063955 Vib (V=0) 18 0.105727D+01 0.024187 0.055693 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.259220D+09 8.413668 19.373186 Rotational 0.447427D+07 6.650722 15.313854 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 13 -0.000030585 -0.000050245 -0.000067671 2 13 -0.000062909 -0.000101223 -0.000010471 3 35 -0.000030391 0.000004283 0.000040972 4 35 0.000027063 0.000030636 -0.000023172 5 17 0.000022930 0.000003709 -0.000001566 6 17 0.000003482 0.000047754 0.000059482 7 17 0.000029849 0.000073253 0.000004577 8 17 0.000040562 -0.000008167 -0.000002151 ------------------------------------------------------------------- Cartesian Forces: Max 0.000101223 RMS 0.000041608 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Search for a local minimum. Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- 0.00039 0.00547 0.01105 0.01629 0.01761 Eigenvalues --- 0.02088 0.02433 0.02943 0.03565 0.05220 Eigenvalues --- 0.08093 0.11659 0.13333 0.18618 0.24853 Eigenvalues --- 0.29057 0.38915 0.40824 Angle between quadratic step and forces= 60.03 degrees. Linear search not attempted -- first point. TrRot= 0.000008 0.000090 -0.000048 0.000006 0.000008 0.000006 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) X1 2.39913 -0.00003 0.00000 -0.00054 -0.00055 2.39858 Y1 0.95554 -0.00005 0.00000 -0.00060 -0.00048 0.95506 Z1 -0.33528 -0.00007 0.00000 -0.00036 -0.00043 -0.33571 X2 -3.67508 -0.00006 0.00000 -0.00090 -0.00089 -3.67597 Y2 -0.42577 -0.00010 0.00000 -0.00078 -0.00074 -0.42651 Z2 -0.42680 -0.00001 0.00000 0.00067 0.00065 -0.42615 X3 -0.73611 -0.00003 0.00000 -0.00111 -0.00108 -0.73719 Y3 0.41812 0.00000 0.00000 0.00057 0.00065 0.41877 Z3 3.01022 0.00004 0.00000 0.00053 0.00049 3.01071 X4 5.25422 0.00003 0.00000 0.00072 0.00075 5.25497 Y4 -2.14670 0.00003 0.00000 0.00054 0.00070 -2.14600 Z4 -0.22896 -0.00002 0.00000 -0.00122 -0.00131 -0.23027 X5 3.42253 0.00002 0.00000 0.00202 0.00197 3.42450 Y5 4.77678 0.00000 0.00000 -0.00107 -0.00094 4.77584 Z5 -0.60846 0.00000 0.00000 0.00076 0.00069 -0.60778 X6 -0.56933 0.00000 0.00000 -0.00082 -0.00085 -0.57017 Y6 0.09763 0.00005 0.00000 0.00161 0.00169 0.09931 Z6 -3.40334 0.00006 0.00000 0.00088 0.00084 -3.40250 X7 -4.84324 0.00003 0.00000 0.00046 0.00052 -4.84273 Y7 -4.21288 0.00007 0.00000 -0.00061 -0.00058 -4.21346 Z7 -0.38204 0.00000 0.00000 0.00097 0.00096 -0.38108 X8 -6.33621 0.00004 0.00000 0.00017 0.00014 -6.33608 Y8 2.49220 -0.00001 0.00000 -0.00031 -0.00030 2.49190 Z8 -0.74951 0.00000 0.00000 -0.00190 -0.00189 -0.75141 Item Value Threshold Converged? Maximum Force 0.000101 0.000450 YES RMS Force 0.000042 0.000300 YES Maximum Displacement 0.001966 0.001800 NO RMS Displacement 0.000953 0.001200 YES Predicted change in Energy=-2.409194D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-SKCH-135-006|Freq|RB3LYP|6-31G(d,p)|Al2Br2Cl4|ZL 4817|23-May-2019|0||# freq b3lyp/6-31g(d,p) pop=(nbo,full) geom=connec tivity||ISOMER B FREQ||0,1|Al,1.26956386,0.50565119,-0.17742285|Al,-1. 94476606,-0.22530817,-0.22585504|Br,-0.38953522,0.22125802,1.59294205| Br,2.78041303,-1.13598365,-0.12116075|Cl,1.81112465,2.52776124,-0.3219 8484|Cl,-0.301274,0.051661,-1.80097195|Cl,-2.56293484,-2.22935823,-0.2 0216706|Cl,-3.35298022,1.31881468,-0.39662514||Version=EM64W-G09RevD.0 1|State=1-A|HF=-7469.5398647|RMSD=1.391e-009|RMSF=4.161e-005|ZeroPoint =0.0099916|Thermal=0.0226011|Dipole=0.2271463,-0.1300883,0.3222211|Dip oleDeriv=2.1624679,0.0091817,-0.0336588,0.0248022,1.8021205,-0.0377082 ,-0.0822425,-0.0489727,1.2588285,2.2281005,0.0769438,0.076089,0.095935 1,1.8240321,-0.0097851,0.1257874,0.000858,1.3301537,-0.9219093,-0.1378 398,0.0126873,-0.1527003,-0.2096252,-0.0238128,0.010757,-0.0289168,-0. 6321097,-0.6584626,0.2609345,0.0079587,0.3597847,-0.5663871,0.0060118, 0.0105051,0.007355,-0.2462779,-0.4821344,-0.1447,0.0232868,-0.2393495, -0.9570811,0.0556193,0.0361732,0.0581952,-0.3242761,-1.064261,-0.14362 35,-0.0138366,-0.158639,-0.3246081,-0.0251996,-0.0116333,-0.02001,-0.7 215251,-0.5054974,-0.1806421,-0.0166662,-0.2845307,-0.9096602,-0.00902 9,-0.0206202,-0.0063709,-0.3297234,-0.7583037,0.2597454,-0.0558602,0.3 546975,-0.6587909,0.0439037,-0.0687268,0.0378622,-0.33507|Polar=127.07 49903,-0.8277205,116.3622275,0.6045761,-1.1037061,90.7332311|PG=C01 [X (Al2Br2Cl4)]|NImag=0||0.15474999,-0.01861715,0.24220154,-0.00111156,-0 .00950486,0.07538431,-0.01981866,-0.00542300,-0.00262028,0.16678362,-0 .00574563,0.00365746,0.00120041,-0.01957466,0.24999978,0.00023554,0.00 184429,0.03590874,0.00695801,-0.00800646,0.08136947,-0.02611274,-0.003 83159,0.01456466,-0.02514328,-0.00445624,-0.01352467,0.06123361,-0.002 93324,-0.00737975,0.00133288,-0.00522714,-0.00871397,-0.00503824,0.010 55316,0.01672272,0.02234021,0.00309061,-0.04104909,-0.02228100,-0.0068 3707,-0.04377706,-0.00061754,0.00448224,0.10122739,-0.06849510,0.06689 943,-0.00221240,0.00324727,0.00093368,-0.00003289,-0.00572329,0.002743 88,0.00254567,0.07745863,0.06425955,-0.08125649,0.00264160,-0.00158395 ,-0.00158822,-0.00028225,0.00301134,0.00052353,-0.00033590,-0.07337999 ,0.08788978,-0.00151366,0.00188923,-0.00812061,0.00037543,-0.00016542, -0.00458234,0.00530682,-0.00153775,0.00055615,0.00263517,-0.00279623,0 .00784666,-0.01900215,-0.03593954,0.00283455,0.00225322,0.00083714,-0. 00003933,-0.00267785,-0.00434117,0.00247849,0.00149017,0.00451081,-0.0 0042708,0.02179390,-0.03361363,-0.14538765,0.00953393,0.00330466,-0.00 064844,-0.00011025,-0.00409231,-0.00234333,0.00170389,0.00054275,-0.00 722757,0.00065976,0.04036947,0.15814485,0.00273999,0.01016170,-0.00903 376,0.00009137,-0.00014253,-0.00491530,0.00461870,0.00410403,0.0002571 1,-0.00006094,0.00035322,0.00231296,-0.00296274,-0.01046687,0.00873715 ,-0.02690409,-0.00498586,-0.01216066,-0.03027591,-0.00382058,0.0145259 3,0.00648291,0.00097810,0.00080112,-0.00660024,0.00260403,-0.00629759, -0.00289316,-0.00498983,-0.00448005,0.07057005,-0.00528250,-0.00964977 ,-0.00497323,-0.00338140,-0.00910086,0.00110094,0.00095277,0.00294202, -0.00102147,0.00281304,0.00076873,0.00190728,-0.00499095,-0.00311080,- 0.00401123,0.01173834,0.01959779,-0.02284280,-0.00712940,-0.04335605,0 .02598276,0.00356979,-0.04458926,0.00040631,-0.00102848,-0.01788252,-0 .00277688,0.00034728,0.00063806,-0.00181975,-0.00124401,0.00125870,-0. 00289499,0.00437220,0.10113778,0.00228113,0.00073261,0.00037397,-0.022 25869,-0.04097102,0.00014802,-0.00239070,-0.00435953,-0.00218860,-0.00 054871,0.00021224,-0.00003088,-0.00039727,-0.00061220,-0.00000029,-0.0 0337211,-0.00490593,0.00205216,0.02487797,0.00331141,-0.00053054,-0.00 014366,-0.03860968,-0.14343513,0.00182625,-0.00451744,-0.00271045,-0.0 0149502,-0.00090024,0.00083399,0.00001624,-0.00060878,-0.00038101,0.00 005886,-0.00462403,-0.00237663,0.00123618,0.04568987,0.15638105,-0.000 04317,-0.00024608,-0.00486769,-0.00000139,0.00104647,-0.00928054,-0.00 452622,-0.00389521,0.00055017,-0.00003307,0.00002001,0.00062520,-0.000 00367,0.00002164,0.00075760,0.00487112,0.00401070,0.00121299,-0.000253 57,-0.00181833,0.00825249,0.00330162,0.00116509,0.00033172,-0.07478757 ,0.07279732,-0.00827063,-0.00566865,0.00258593,-0.00307835,-0.00082874 ,0.00036598,-0.00004821,-0.00056686,-0.00090891,0.00005394,-0.00700746 ,0.00305662,0.00189320,0.00180838,0.00025889,-0.00001004,0.08374929,-0 .00137882,-0.00165480,-0.00008706,0.07049518,-0.09017062,0.00866573,0. 00238030,0.00095922,0.00041273,0.00034747,0.00005625,0.00002690,0.0001 6302,0.00095395,-0.00005717,0.00309983,0.00092951,-0.00012357,0.004213 95,-0.00778127,0.00086080,-0.07932093,0.09670778,0.00019545,-0.0001054 8,-0.00486585,-0.00850490,0.00933482,-0.01013371,-0.00622807,0.0015805 5,0.00011786,-0.00006468,0.00005227,0.00072392,-0.00006047,-0.00009809 ,0.00062555,0.00563512,-0.00138518,0.00158030,-0.00010082,0.00031948,0 .00274978,0.00912837,-0.00969836,0.00920215||0.00003059,0.00005024,0.0 0006767,0.00006291,0.00010122,0.00001047,0.00003039,-0.00000428,-0.000 04097,-0.00002706,-0.00003064,0.00002317,-0.00002293,-0.00000371,0.000 00157,-0.00000348,-0.00004775,-0.00005948,-0.00002985,-0.00007325,-0.0 0000458,-0.00004056,0.00000817,0.00000215|||@ NATURE REVEALS EVERY SECRET ONCE. - RALPH WALDO EMERSON Job cpu time: 0 days 0 hours 1 minutes 40.0 seconds. File lengths (MBytes): RWF= 48 Int= 0 D2E= 0 Chk= 3 Scr= 1 Normal termination of Gaussian 09 at Thu May 23 13:01:27 2019.