Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 7480. 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 24-May-2018 ****************************************** %chk=\\icnas2.cc.ic.ac.uk\ak8916\Desktop\College\Year 2\3rdyearlab\ak8916_al2cl4 _bridgingCl_freq_opt.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; --------------- Frequency Table --------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 Al 1.49942 -0.59786 -0.00004 Al -1.49945 0.59791 0.00004 Cl 1.71155 -2.68391 0.00002 Cl -1.71182 2.68394 -0.00002 Br 3.24238 0.79083 0. Br -3.24225 -0.79098 -0.00001 Cl -0.00001 0.00013 1.63492 Cl 0.00004 0.0001 -1.6349 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 1.499418 -0.597859 -0.000043 2 13 0 -1.499447 0.597914 0.000041 3 17 0 1.711546 -2.683906 0.000021 4 17 0 -1.711820 2.683937 -0.000021 5 35 0 3.242380 0.790832 0.000003 6 35 0 -3.242250 -0.790979 -0.000012 7 17 0 -0.000010 0.000130 1.634919 8 17 0 0.000037 0.000098 -1.634898 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 3.228477 0.000000 3 Cl 2.096805 4.591385 0.000000 4 Cl 4.591539 2.096806 6.366567 0.000000 5 Br 2.228537 4.745750 3.797006 5.303578 0.000000 6 Br 4.745599 2.228539 5.303138 3.797006 6.674770 7 Cl 2.297602 2.297495 3.578598 3.578567 3.716349 8 Cl 2.297487 2.297577 3.578561 3.578585 3.716309 6 7 8 6 Br 0.000000 7 Cl 3.716312 0.000000 8 Cl 3.716326 3.269817 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 1.499418 -0.597859 -0.000043 2 13 0 -1.499447 0.597914 0.000041 3 17 0 1.711546 -2.683906 0.000021 4 17 0 -1.711820 2.683937 -0.000021 5 35 0 3.242380 0.790832 0.000003 6 35 0 -3.242250 -0.790979 -0.000012 7 17 0 -0.000010 0.000130 1.634919 8 17 0 0.000037 0.000098 -1.634898 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6255851 0.2325348 0.1938307 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 1673.6858961909 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= 6.80D-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) = -7469.53758997 A.U. after 13 cycles NFock= 13 Conv=0.12D-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 0.14164021D+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=118590673. 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= 1.00D+02 3.24D+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= 1.07D+01 7.14D-01. 24 vectors produced by pass 2 Test12= 2.79D-14 3.70D-09 XBig12= 2.20D-01 8.68D-02. 24 vectors produced by pass 3 Test12= 2.79D-14 3.70D-09 XBig12= 1.70D-02 1.99D-02. 24 vectors produced by pass 4 Test12= 2.79D-14 3.70D-09 XBig12= 5.97D-05 1.72D-03. 23 vectors produced by pass 5 Test12= 2.79D-14 3.70D-09 XBig12= 1.29D-07 6.70D-05. 12 vectors produced by pass 6 Test12= 2.79D-14 3.70D-09 XBig12= 2.00D-10 2.74D-06. 3 vectors produced by pass 7 Test12= 2.79D-14 3.70D-09 XBig12= 2.59D-13 8.47D-08. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 158 with 27 vectors. Isotropic polarizability for W= 0.000000 110.95 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 -- -482.92852-482.92842-101.60399-101.60398-101.55031 Alpha occ. eigenvalues -- -101.55031 -61.89142 -61.89047 -56.40783 -56.40781 Alpha occ. eigenvalues -- -56.40605 -56.40597 -56.40596 -56.40594 -56.16933 Alpha occ. eigenvalues -- -56.16932 -9.52437 -9.52435 -9.46893 -9.46892 Alpha occ. eigenvalues -- -8.60041 -8.60012 -7.28311 -7.28308 -7.28237 Alpha occ. eigenvalues -- -7.28236 -7.27887 -7.27883 -7.22930 -7.22930 Alpha occ. eigenvalues -- -7.22468 -7.22467 -7.22448 -7.22447 -6.54927 Alpha occ. eigenvalues -- -6.54927 -6.54265 -6.54265 -6.54240 -6.54240 Alpha occ. eigenvalues -- -4.24705 -4.24704 -2.80158 -2.80158 -2.80080 Alpha occ. eigenvalues -- -2.80077 -2.79891 -2.79890 -2.66575 -2.66575 Alpha occ. eigenvalues -- -2.66378 -2.66378 -2.66358 -2.66358 -2.65830 Alpha occ. eigenvalues -- -2.65830 -2.65829 -2.65829 -0.90341 -0.88085 Alpha occ. eigenvalues -- -0.83151 -0.82965 -0.78315 -0.78214 -0.50474 Alpha occ. eigenvalues -- -0.50283 -0.45693 -0.42797 -0.42517 -0.40690 Alpha occ. eigenvalues -- -0.40372 -0.39506 -0.38834 -0.36982 -0.35121 Alpha occ. eigenvalues -- -0.34809 -0.34450 -0.34234 -0.32553 -0.31978 Alpha occ. eigenvalues -- -0.31972 -0.31762 Alpha virt. eigenvalues -- -0.05287 -0.03703 -0.02562 0.01779 0.02225 Alpha virt. eigenvalues -- 0.03209 0.03651 0.05698 0.08160 0.11842 Alpha virt. eigenvalues -- 0.12708 0.14900 0.15202 0.16801 0.17976 Alpha virt. eigenvalues -- 0.19320 0.26131 0.29494 0.29694 0.31339 Alpha virt. eigenvalues -- 0.31442 0.33151 0.33777 0.37019 0.37254 Alpha virt. eigenvalues -- 0.38294 0.39163 0.41090 0.42615 0.43973 Alpha virt. eigenvalues -- 0.44055 0.44175 0.44408 0.45647 0.46712 Alpha virt. eigenvalues -- 0.48426 0.50103 0.51969 0.52969 0.53443 Alpha virt. eigenvalues -- 0.53999 0.54813 0.54846 0.55708 0.57167 Alpha virt. eigenvalues -- 0.57750 0.58174 0.61008 0.61855 0.64348 Alpha virt. eigenvalues -- 0.64738 0.64994 0.65799 0.66292 0.67654 Alpha virt. eigenvalues -- 0.70551 0.71286 0.75543 0.80407 0.82442 Alpha virt. eigenvalues -- 0.85010 0.85300 0.85752 0.86493 0.86717 Alpha virt. eigenvalues -- 0.89138 0.91487 0.91720 0.95302 0.96074 Alpha virt. eigenvalues -- 0.96508 0.97382 1.00317 1.02797 1.09690 Alpha virt. eigenvalues -- 1.09728 1.10331 1.15212 1.25948 1.26503 Alpha virt. eigenvalues -- 1.67591 1.72990 2.04453 2.05008 4.20693 Alpha virt. eigenvalues -- 4.24358 4.26281 4.28556 8.73597 8.79116 Alpha virt. eigenvalues -- 75.73858 76.80190 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -482.92852-482.92842-101.60399-101.60398-101.55031 1 1 Al 1S -0.00001 0.00000 0.00000 0.00000 0.00000 2 2S 0.00003 0.00000 -0.00001 -0.00001 -0.00002 3 2PX 0.00000 -0.00002 0.00001 0.00001 0.00000 4 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00001 -0.00001 0.00000 6 3S -0.00033 0.00027 -0.00003 -0.00002 0.00013 7 3PX 0.00013 0.00004 -0.00005 -0.00004 0.00000 8 3PY -0.00004 -0.00002 0.00002 0.00002 -0.00008 9 3PZ 0.00000 0.00000 -0.00005 0.00007 0.00000 10 4S 0.00229 -0.00262 -0.00012 -0.00009 -0.00018 11 4PX 0.00136 -0.00062 0.00003 0.00002 0.00000 12 4PY 0.00220 -0.00102 -0.00001 -0.00001 0.00024 13 4PZ 0.00000 0.00000 0.00007 -0.00008 0.00000 14 5XX 0.00002 -0.00002 0.00004 0.00003 -0.00006 15 5YY 0.00003 -0.00001 0.00000 0.00000 0.00003 16 5ZZ 0.00008 -0.00006 0.00006 0.00005 -0.00005 17 5XY -0.00007 0.00010 -0.00003 -0.00002 -0.00001 18 5XZ 0.00000 0.00000 0.00005 -0.00007 0.00000 19 5YZ 0.00000 0.00000 -0.00002 0.00003 0.00000 20 2 Al 1S -0.00001 0.00000 0.00000 0.00000 0.00000 21 2S 0.00003 0.00000 -0.00001 -0.00001 0.00000 22 2PX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 23 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00001 -0.00001 0.00000 25 3S -0.00032 -0.00028 -0.00003 -0.00002 0.00002 26 3PX -0.00013 0.00004 0.00005 0.00004 0.00002 27 3PY 0.00004 -0.00002 -0.00002 -0.00002 0.00000 28 3PZ 0.00000 0.00000 -0.00005 0.00007 0.00000 29 4S 0.00224 0.00265 -0.00012 -0.00009 -0.00007 30 4PX -0.00134 -0.00065 -0.00003 -0.00002 -0.00007 31 4PY -0.00219 -0.00105 0.00001 0.00001 -0.00005 32 4PZ 0.00000 0.00000 0.00007 -0.00008 0.00000 33 5XX 0.00002 0.00002 0.00004 0.00003 0.00000 34 5YY 0.00003 0.00001 0.00000 0.00000 0.00000 35 5ZZ 0.00008 0.00006 0.00006 0.00005 0.00000 36 5XY -0.00006 -0.00010 -0.00003 -0.00002 -0.00001 37 5XZ 0.00000 0.00000 -0.00005 0.00007 0.00000 38 5YZ 0.00000 0.00000 0.00002 -0.00003 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00001 0.00001 0.99548 40 2S -0.00003 -0.00001 0.00000 0.00000 0.01515 41 2PX -0.00001 0.00002 0.00000 0.00000 -0.00001 42 2PY 0.00000 0.00000 0.00000 0.00000 0.00004 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 44 3S -0.00003 -0.00003 -0.00001 -0.00001 -0.02105 45 3PX 0.00005 -0.00010 0.00000 0.00000 0.00001 46 3PY 0.00001 -0.00001 0.00001 0.00001 -0.00006 47 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 4S 0.00059 0.00018 0.00002 0.00002 0.00184 49 4PX -0.00029 0.00029 0.00001 0.00001 -0.00002 50 4PY -0.00010 0.00017 0.00000 0.00000 0.00007 51 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 52 5XX -0.00006 -0.00002 0.00001 0.00001 0.00753 53 5YY -0.00009 0.00002 0.00001 0.00001 0.00750 54 5ZZ -0.00006 0.00001 0.00001 0.00000 0.00753 55 5XY -0.00003 0.00002 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00001 0.00001 0.03216 59 2S -0.00003 0.00001 0.00000 0.00000 0.00049 60 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S -0.00003 0.00003 -0.00001 -0.00001 -0.00068 64 3PX -0.00005 -0.00010 0.00000 0.00000 0.00000 65 3PY -0.00001 -0.00001 -0.00001 -0.00001 0.00000 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00060 -0.00017 0.00002 0.00002 0.00011 68 4PX 0.00028 0.00030 -0.00001 -0.00001 0.00001 69 4PY 0.00010 0.00018 0.00000 0.00000 -0.00001 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX -0.00006 0.00002 0.00001 0.00001 0.00024 72 5YY -0.00009 -0.00002 0.00001 0.00001 0.00024 73 5ZZ -0.00006 -0.00001 0.00001 0.00000 0.00024 74 5XY -0.00003 -0.00002 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.70933 -0.69761 0.00000 0.00000 0.00000 78 2S 0.02331 -0.02277 -0.00001 -0.00001 0.00001 79 3S -0.03181 0.03078 0.00002 0.00002 -0.00002 80 4S -0.03208 0.03102 0.00003 0.00002 -0.00001 81 5S -0.01593 0.01608 0.00002 0.00002 0.00005 82 6S -0.02150 0.01863 0.00002 0.00002 -0.00018 83 7PX -0.00002 0.00002 0.00000 0.00000 0.00000 84 7PY -0.00001 0.00001 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00007 -0.00006 0.00000 0.00000 0.00000 87 8PY 0.00004 -0.00004 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX -0.00038 0.00032 -0.00001 -0.00001 -0.00001 90 9PY -0.00023 0.00019 0.00000 0.00000 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00113 -0.00088 0.00001 0.00001 0.00003 93 10PY 0.00067 -0.00052 -0.00001 -0.00001 -0.00002 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 11XX 0.03072 -0.02964 -0.00003 -0.00002 0.00002 96 11YY 0.03071 -0.02964 -0.00003 -0.00002 0.00002 97 11ZZ 0.03071 -0.02963 -0.00003 -0.00002 0.00002 98 11XY 0.00001 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00933 -0.00859 -0.00001 -0.00001 0.00005 102 12YY 0.00941 -0.00864 0.00001 0.00000 0.00005 103 12ZZ 0.00939 -0.00865 0.00000 0.00000 0.00005 104 12XY -0.00005 0.00002 0.00000 0.00000 0.00001 105 12XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.69764 0.70930 0.00000 0.00000 0.00000 108 2S 0.02293 0.02315 -0.00001 -0.00001 0.00000 109 3S -0.03130 -0.03131 0.00002 0.00002 -0.00001 110 4S -0.03156 -0.03155 0.00003 0.00002 -0.00001 111 5S -0.01566 -0.01634 0.00002 0.00002 0.00001 112 6S -0.02118 -0.01899 0.00002 0.00002 -0.00006 113 7PX 0.00002 0.00002 0.00000 0.00000 0.00000 114 7PY 0.00001 0.00001 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX -0.00007 -0.00006 0.00000 0.00000 0.00000 117 8PY -0.00004 -0.00004 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00037 0.00032 0.00001 0.00001 0.00000 120 9PY 0.00023 0.00019 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX -0.00112 -0.00089 -0.00001 -0.00001 0.00001 123 10PY -0.00066 -0.00053 0.00001 0.00001 -0.00001 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.03022 0.03015 -0.00003 -0.00002 0.00001 126 11YY 0.03021 0.03014 -0.00003 -0.00002 0.00001 127 11ZZ 0.03021 0.03014 -0.00003 -0.00002 0.00001 128 11XY 0.00001 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00918 0.00874 -0.00001 -0.00001 0.00002 132 12YY 0.00927 0.00879 0.00001 0.00000 0.00001 133 12ZZ 0.00924 0.00880 0.00000 0.00000 0.00001 134 12XY -0.00005 -0.00002 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00001 -0.00001 0.00000 136 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.11050 0.98985 -0.00001 138 2S 0.00003 0.00000 0.00168 0.01508 0.00000 139 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 141 2PZ -0.00002 0.00000 -0.00001 -0.00004 0.00000 142 3S 0.00013 0.00000 -0.00233 -0.02091 -0.00001 143 3PX 0.00000 -0.00008 0.00000 0.00000 0.00001 144 3PY 0.00000 -0.00004 0.00000 0.00000 0.00000 145 3PZ 0.00008 0.00000 0.00001 0.00003 -0.00001 146 4S -0.00084 -0.00001 0.00019 0.00168 0.00002 147 4PX 0.00000 0.00060 0.00000 0.00000 -0.00001 148 4PY 0.00000 0.00016 0.00000 0.00000 0.00000 149 4PZ 0.00001 0.00000 -0.00001 0.00002 0.00001 150 5XX -0.00001 0.00000 0.00085 0.00749 0.00001 151 5YY 0.00007 0.00000 0.00084 0.00751 0.00000 152 5ZZ 0.00003 0.00000 0.00082 0.00749 0.00001 153 5XY -0.00002 0.00000 0.00000 0.00001 0.00000 154 5XZ 0.00000 -0.00003 0.00000 0.00000 0.00000 155 5YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.98985 -0.11050 -0.00001 157 2S 0.00003 0.00000 0.01508 -0.00168 0.00000 158 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 160 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 161 3S 0.00013 0.00000 -0.02091 0.00234 -0.00001 162 3PX 0.00000 -0.00008 0.00000 0.00000 0.00001 163 3PY 0.00000 -0.00004 0.00000 0.00000 0.00000 164 3PZ -0.00008 0.00000 -0.00004 -0.00001 0.00001 165 4S -0.00084 -0.00001 0.00168 -0.00018 0.00002 166 4PX 0.00000 0.00060 0.00000 0.00000 -0.00001 167 4PY 0.00000 0.00016 0.00000 0.00000 0.00000 168 4PZ -0.00001 0.00000 -0.00001 0.00001 -0.00001 169 5XX -0.00001 0.00000 0.00750 -0.00083 0.00001 170 5YY 0.00007 0.00000 0.00751 -0.00083 0.00000 171 5ZZ 0.00003 0.00000 0.00749 -0.00085 0.00001 172 5XY -0.00002 0.00000 0.00001 0.00000 0.00000 173 5XZ 0.00000 0.00003 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00001 0.00000 0.00000 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -101.55031 -61.89142 -61.89047 -56.40783 -56.40781 1 1 Al 1S 0.00000 -0.00004 0.00002 -0.00012 -0.00017 2 2S 0.00000 0.00021 -0.00001 -0.00004 -0.00018 3 2PX 0.00000 -0.00002 -0.00014 0.00018 0.00024 4 2PY 0.00000 0.00010 -0.00002 0.00018 0.00016 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00001 -0.00268 0.00231 0.00444 0.00359 7 3PX -0.00002 0.00112 0.00033 0.00059 0.00002 8 3PY 0.00001 -0.00036 -0.00017 0.00002 0.00004 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S -0.00006 0.01937 -0.02275 0.00507 0.00872 11 4PX 0.00007 0.01154 -0.00541 0.00131 -0.00146 12 4PY 0.00004 0.01876 -0.00890 0.00334 0.00201 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5XX 0.00001 0.00014 -0.00014 -0.00219 -0.00186 15 5YY 0.00000 0.00025 -0.00007 -0.00167 -0.00161 16 5ZZ 0.00000 0.00065 -0.00045 -0.00101 -0.00107 17 5XY 0.00000 -0.00055 0.00087 -0.00106 -0.00107 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 -0.00004 -0.00002 -0.00011 0.00018 21 2S -0.00002 0.00021 0.00001 -0.00002 0.00018 22 2PX 0.00000 0.00002 -0.00014 -0.00016 0.00025 23 2PY 0.00000 -0.00010 -0.00002 -0.00016 0.00017 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S 0.00013 -0.00268 -0.00231 0.00414 -0.00394 26 3PX 0.00000 -0.00112 0.00033 -0.00058 0.00006 27 3PY 0.00008 0.00036 -0.00017 -0.00001 0.00004 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 29 4S -0.00017 0.01933 0.02279 0.00434 -0.00910 30 4PX 0.00000 -0.01153 -0.00543 -0.00142 -0.00135 31 4PY -0.00024 -0.01875 -0.00893 -0.00316 0.00227 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX -0.00006 0.00014 0.00014 -0.00204 0.00203 34 5YY 0.00003 0.00025 0.00007 -0.00154 0.00174 35 5ZZ -0.00005 0.00065 0.00045 -0.00092 0.00115 36 5XY -0.00001 -0.00055 -0.00087 -0.00097 0.00115 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 Cl 1S -0.03216 -0.00001 0.00000 0.00000 0.00000 40 2S -0.00049 -0.00023 -0.00005 0.00001 0.00008 41 2PX 0.00000 -0.00007 0.00015 0.00003 0.00001 42 2PY 0.00000 -0.00001 0.00001 0.00001 0.00001 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 44 3S 0.00068 -0.00033 -0.00028 0.00000 0.00013 45 3PX 0.00000 0.00043 -0.00082 -0.00010 -0.00005 46 3PY 0.00000 0.00009 -0.00006 -0.00001 -0.00002 47 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 4S -0.00001 0.00507 0.00150 -0.00017 -0.00166 49 4PX -0.00001 -0.00244 0.00251 -0.00014 0.00007 50 4PY 0.00001 -0.00087 0.00152 -0.00053 -0.00071 51 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 52 5XX -0.00025 -0.00046 -0.00016 0.00007 0.00019 53 5YY -0.00025 -0.00078 0.00015 -0.00005 0.00009 54 5ZZ -0.00025 -0.00049 0.00008 0.00001 0.00010 55 5XY 0.00000 -0.00022 0.00017 -0.00012 -0.00008 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.99548 -0.00001 0.00000 0.00000 0.00000 59 2S 0.01515 -0.00023 0.00005 0.00001 -0.00008 60 2PX 0.00001 0.00007 0.00015 -0.00003 0.00002 61 2PY -0.00004 0.00001 0.00001 -0.00001 0.00001 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S -0.02105 -0.00033 0.00028 -0.00001 -0.00013 64 3PX -0.00001 -0.00043 -0.00082 0.00010 -0.00006 65 3PY 0.00006 -0.00008 -0.00006 0.00001 -0.00002 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00184 0.00508 -0.00150 -0.00003 0.00167 68 4PX 0.00002 0.00244 0.00251 0.00014 0.00006 69 4PY -0.00007 0.00087 0.00152 0.00047 -0.00075 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00753 -0.00046 0.00016 0.00005 -0.00020 72 5YY 0.00750 -0.00078 -0.00016 -0.00005 -0.00009 73 5ZZ 0.00753 -0.00049 -0.00008 0.00001 -0.00010 74 5XY 0.00000 -0.00022 -0.00017 -0.00011 0.00009 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 -0.29792 0.29753 0.00009 0.00005 78 2S 0.00000 0.82806 -0.82576 0.00152 0.00129 79 3S -0.00001 -0.20455 0.20135 -0.00422 -0.00342 80 4S -0.00001 -0.28807 0.28560 -0.00288 -0.00234 81 5S 0.00001 -0.13367 0.13804 0.00388 0.00290 82 6S -0.00005 -0.18168 0.16099 -0.02165 -0.01687 83 7PX 0.00000 -0.00033 0.00032 0.57421 0.53198 84 7PY 0.00000 -0.00026 0.00026 0.43145 0.39458 85 7PZ 0.00000 0.00000 0.00000 0.00001 0.00001 86 8PX 0.00000 0.00058 -0.00051 0.03619 0.03352 87 8PY 0.00000 0.00035 -0.00029 0.02716 0.02483 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00001 -0.00319 0.00273 -0.01171 -0.01080 90 9PY 0.00000 -0.00194 0.00161 -0.00862 -0.00782 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX -0.00001 0.00959 -0.00760 0.00718 0.00650 93 10PY 0.00001 0.00566 -0.00450 0.00486 0.00419 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00001 0.26188 -0.25864 0.00411 0.00333 96 11YY 0.00001 0.26177 -0.25857 0.00408 0.00331 97 11ZZ 0.00001 0.26180 -0.25855 0.00409 0.00332 98 11XY 0.00000 0.00008 -0.00004 0.00001 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00001 0.07857 -0.07397 0.00572 0.00457 102 12YY 0.00001 0.07931 -0.07440 0.00593 0.00475 103 12ZZ 0.00001 0.07909 -0.07447 0.00586 0.00465 104 12XY 0.00000 -0.00045 0.00019 -0.00005 -0.00001 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 -0.29740 -0.29805 0.00008 -0.00006 108 2S 0.00001 0.82661 0.82721 0.00141 -0.00140 109 3S -0.00002 -0.20419 -0.20171 -0.00393 0.00375 110 4S -0.00001 -0.28757 -0.28610 -0.00268 0.00256 111 5S 0.00005 -0.13343 -0.13827 0.00363 -0.00320 112 6S -0.00018 -0.18140 -0.16130 -0.02022 0.01856 113 7PX 0.00000 0.00033 0.00032 -0.52928 0.57661 114 7PY 0.00000 0.00026 0.00026 -0.39819 0.42824 115 7PZ 0.00000 0.00000 0.00000 -0.00001 0.00001 116 8PX 0.00000 -0.00058 -0.00051 -0.03336 0.03634 117 8PY 0.00000 -0.00035 -0.00029 -0.02507 0.02695 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00002 0.00319 0.00274 0.01079 -0.01171 120 9PY 0.00000 0.00194 0.00161 0.00796 -0.00849 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX -0.00003 -0.00958 -0.00762 -0.00663 0.00706 123 10PY 0.00002 -0.00565 -0.00451 -0.00451 0.00457 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00002 0.26142 0.25909 0.00383 -0.00365 126 11YY 0.00002 0.26132 0.25903 0.00380 -0.00363 127 11ZZ 0.00002 0.26134 0.25901 0.00381 -0.00364 128 11XY 0.00000 0.00008 0.00004 0.00001 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00004 0.07844 0.07411 0.00533 -0.00502 132 12YY 0.00005 0.07918 0.07453 0.00553 -0.00521 133 12ZZ 0.00005 0.07896 0.07461 0.00547 -0.00510 134 12XY 0.00001 -0.00045 -0.00019 -0.00005 0.00001 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S -0.00001 0.00002 0.00000 0.00000 0.00000 138 2S 0.00000 0.00026 0.00000 0.00011 0.00000 139 2PX 0.00000 0.00000 0.00012 0.00000 0.00001 140 2PY 0.00000 0.00000 0.00006 0.00000 0.00003 141 2PZ 0.00000 -0.00014 0.00000 -0.00006 0.00000 142 3S -0.00001 0.00110 0.00000 0.00030 -0.00001 143 3PX -0.00001 0.00000 -0.00069 0.00000 0.00003 144 3PY 0.00000 0.00000 -0.00033 -0.00001 -0.00017 145 3PZ -0.00001 0.00070 0.00000 0.00030 -0.00001 146 4S 0.00002 -0.00722 -0.00001 -0.00284 0.00012 147 4PX 0.00001 0.00000 0.00515 -0.00007 -0.00177 148 4PY 0.00000 0.00000 0.00137 0.00002 0.00060 149 4PZ 0.00001 0.00010 0.00000 0.00028 -0.00001 150 5XX 0.00001 -0.00008 0.00000 0.00002 0.00000 151 5YY 0.00000 0.00058 0.00000 0.00019 -0.00001 152 5ZZ 0.00001 0.00027 0.00000 0.00011 0.00000 153 5XY 0.00000 -0.00021 0.00000 -0.00002 0.00000 154 5XZ 0.00000 0.00000 -0.00030 0.00001 0.00015 155 5YZ 0.00000 0.00000 -0.00010 0.00000 0.00001 156 8 Cl 1S -0.00001 0.00002 0.00000 0.00000 0.00000 157 2S 0.00000 0.00026 0.00000 0.00011 0.00000 158 2PX 0.00000 0.00000 0.00012 0.00000 0.00001 159 2PY 0.00000 0.00000 0.00006 0.00000 0.00003 160 2PZ 0.00000 0.00014 0.00000 0.00006 0.00000 161 3S -0.00001 0.00110 0.00000 0.00030 -0.00001 162 3PX -0.00001 0.00000 -0.00069 0.00000 0.00003 163 3PY 0.00000 0.00000 -0.00033 -0.00001 -0.00017 164 3PZ 0.00001 -0.00070 0.00000 -0.00030 0.00001 165 4S 0.00002 -0.00722 -0.00001 -0.00284 0.00012 166 4PX 0.00001 0.00000 0.00515 -0.00007 -0.00177 167 4PY 0.00000 0.00000 0.00137 0.00002 0.00060 168 4PZ -0.00001 -0.00010 0.00000 -0.00028 0.00001 169 5XX 0.00001 -0.00008 0.00000 0.00002 0.00000 170 5YY 0.00000 0.00058 0.00000 0.00019 -0.00001 171 5ZZ 0.00001 0.00027 0.00000 0.00011 0.00000 172 5XY 0.00000 -0.00021 0.00000 -0.00002 0.00000 173 5XZ 0.00000 0.00000 0.00030 -0.00001 -0.00015 174 5YZ 0.00000 0.00000 0.00010 0.00000 -0.00001 11 12 13 14 15 O O O O O Eigenvalues -- -56.40605 -56.40597 -56.40596 -56.40594 -56.16933 1 1 Al 1S 0.00002 0.00002 0.00000 0.00000 0.77611 2 2S 0.00038 -0.00005 0.00000 0.00000 0.00986 3 2PX 0.00000 -0.00003 0.00000 0.00000 -0.00005 4 2PY 0.00003 -0.00002 0.00000 0.00000 0.00002 5 2PZ 0.00000 0.00000 0.00001 -0.00003 0.00000 6 3S 0.00278 -0.00092 0.00000 0.00000 -0.02093 7 3PX -0.00013 0.00023 0.00000 0.00000 0.00010 8 3PY -0.00034 0.00025 0.00000 0.00000 0.00000 9 3PZ 0.00000 0.00000 -0.00023 0.00015 0.00000 10 4S -0.01240 0.00127 0.00000 0.00000 0.00216 11 4PX 0.00795 -0.00247 0.00000 0.00000 -0.00017 12 4PY -0.00543 0.00327 0.00000 0.00000 0.00004 13 4PZ 0.00000 0.00000 -0.00316 -0.00235 0.00000 14 5XX -0.00026 0.00007 0.00000 0.00000 0.00713 15 5YY -0.00007 0.00008 0.00000 0.00000 0.00720 16 5ZZ -0.00011 0.00050 0.00000 0.00000 0.00733 17 5XY -0.00016 0.00009 0.00000 0.00000 0.00002 18 5XZ 0.00000 0.00000 0.00010 -0.00011 0.00000 19 5YZ 0.00000 0.00000 -0.00015 -0.00015 0.00000 20 2 Al 1S -0.00002 0.00002 0.00000 0.00000 -0.62552 21 2S -0.00038 -0.00006 0.00000 0.00000 -0.00796 22 2PX 0.00000 0.00003 0.00000 0.00000 -0.00004 23 2PY 0.00003 0.00002 0.00000 0.00000 0.00002 24 2PZ 0.00000 0.00000 -0.00001 -0.00003 0.00000 25 3S -0.00276 -0.00097 0.00000 0.00000 0.01685 26 3PX -0.00012 -0.00023 0.00000 0.00000 0.00006 27 3PY -0.00033 -0.00025 0.00000 0.00000 0.00001 28 3PZ 0.00000 0.00000 0.00024 0.00013 0.00000 29 4S 0.01237 0.00151 0.00000 0.00000 -0.00176 30 4PX 0.00790 0.00262 0.00000 0.00000 -0.00020 31 4PY -0.00537 -0.00337 0.00000 0.00000 0.00004 32 4PZ 0.00000 0.00000 0.00289 -0.00268 0.00000 33 5XX 0.00026 0.00007 0.00000 0.00000 -0.00573 34 5YY 0.00007 0.00008 0.00000 0.00000 -0.00580 35 5ZZ 0.00010 0.00050 0.00000 0.00000 -0.00592 36 5XY 0.00016 0.00009 0.00000 0.00000 -0.00003 37 5XZ 0.00000 0.00000 0.00012 0.00010 0.00000 38 5YZ 0.00000 0.00000 -0.00013 0.00017 0.00000 39 3 Cl 1S 0.00001 0.00000 0.00000 0.00000 0.00000 40 2S 0.00007 -0.00008 0.00000 0.00000 -0.00003 41 2PX -0.00005 0.00005 0.00000 0.00000 0.00000 42 2PY 0.00003 -0.00003 0.00000 0.00000 0.00004 43 2PZ 0.00000 0.00000 0.00006 0.00006 0.00000 44 3S 0.00019 -0.00020 0.00000 0.00000 0.00014 45 3PX 0.00029 -0.00027 0.00000 0.00000 0.00001 46 3PY -0.00013 0.00013 0.00000 0.00000 -0.00016 47 3PZ 0.00000 0.00000 -0.00030 -0.00031 0.00000 48 4S -0.00136 0.00193 0.00000 0.00000 0.00077 49 4PX -0.00129 0.00087 0.00000 0.00000 -0.00006 50 4PY 0.00010 0.00012 0.00000 0.00000 0.00068 51 4PZ 0.00000 0.00000 0.00099 0.00089 0.00000 52 5XX 0.00014 -0.00017 0.00000 0.00000 -0.00008 53 5YY 0.00009 -0.00010 0.00000 0.00000 -0.00026 54 5ZZ 0.00018 -0.00011 0.00000 0.00000 -0.00008 55 5XY -0.00009 0.00006 0.00000 0.00000 0.00002 56 5XZ 0.00000 0.00000 0.00001 -0.00001 0.00000 57 5YZ 0.00000 0.00000 0.00007 0.00005 0.00000 58 4 Cl 1S -0.00001 0.00000 0.00000 0.00000 0.00000 59 2S -0.00007 -0.00008 0.00000 0.00000 0.00002 60 2PX -0.00005 -0.00005 0.00000 0.00000 0.00000 61 2PY 0.00003 0.00003 0.00000 0.00000 0.00003 62 2PZ 0.00000 0.00000 -0.00005 0.00006 0.00000 63 3S -0.00019 -0.00021 0.00000 0.00000 -0.00011 64 3PX 0.00028 0.00028 0.00000 0.00000 0.00001 65 3PY -0.00013 -0.00014 0.00000 0.00000 -0.00014 66 3PZ 0.00000 0.00000 0.00027 -0.00034 0.00000 67 4S 0.00132 0.00196 0.00000 0.00000 -0.00066 68 4PX -0.00128 -0.00089 0.00000 0.00000 -0.00005 69 4PY 0.00010 -0.00012 0.00000 0.00000 0.00056 70 4PZ 0.00000 0.00000 -0.00088 0.00100 0.00000 71 5XX -0.00013 -0.00017 0.00000 0.00000 0.00007 72 5YY -0.00009 -0.00011 0.00000 0.00000 0.00021 73 5ZZ -0.00017 -0.00012 0.00000 0.00000 0.00008 74 5XY 0.00009 0.00006 0.00000 0.00000 -0.00002 75 5XZ 0.00000 0.00000 0.00001 0.00001 0.00000 76 5YZ 0.00000 0.00000 0.00006 -0.00006 0.00000 77 5 Br 1S -0.00003 0.00003 0.00000 0.00000 0.00001 78 2S -0.00007 0.00007 0.00000 0.00000 0.00002 79 3S 0.00037 -0.00034 0.00000 0.00000 -0.00009 80 4S 0.00021 -0.00021 0.00000 0.00000 -0.00012 81 5S -0.00137 0.00073 0.00000 0.00000 -0.00052 82 6S 0.00466 -0.00279 0.00000 0.00000 0.00145 83 7PX -0.41577 0.41110 0.00026 0.00005 0.00019 84 7PY 0.56019 -0.54681 -0.00036 -0.00008 0.00015 85 7PZ 0.00008 -0.00047 0.72777 0.65198 0.00000 86 8PX -0.02614 0.02581 0.00002 0.00000 -0.00003 87 8PY 0.03517 -0.03429 -0.00002 -0.00001 -0.00002 88 8PZ 0.00001 -0.00003 0.04562 0.04086 0.00000 89 9PX 0.00832 -0.00802 -0.00001 0.00000 0.00012 90 9PY -0.01083 0.01041 0.00001 0.00000 0.00009 91 9PZ 0.00000 0.00001 -0.01376 -0.01229 0.00000 92 10PX -0.00567 0.00463 0.00000 0.00000 -0.00053 93 10PY 0.00565 -0.00520 0.00000 0.00000 -0.00042 94 10PZ 0.00000 0.00000 0.00681 0.00599 0.00000 95 11XX -0.00039 0.00037 0.00000 0.00000 0.00009 96 11YY -0.00028 0.00029 0.00000 0.00000 0.00010 97 11ZZ -0.00034 0.00032 0.00000 0.00000 0.00011 98 11XY 0.00000 0.00000 0.00000 0.00000 -0.00001 99 11XZ 0.00000 0.00000 0.00002 0.00002 0.00000 100 11YZ 0.00000 0.00000 0.00002 0.00001 0.00000 101 12XX -0.00037 0.00023 0.00000 0.00000 -0.00024 102 12YY -0.00140 0.00099 0.00000 0.00000 -0.00023 103 12ZZ -0.00089 0.00069 0.00000 0.00000 -0.00022 104 12XY 0.00003 0.00003 0.00000 0.00000 -0.00004 105 12XZ 0.00000 0.00000 -0.00024 -0.00023 0.00000 106 12YZ 0.00000 0.00000 -0.00022 -0.00017 0.00000 107 6 Br 1S 0.00003 0.00003 0.00000 0.00000 0.00000 108 2S 0.00007 0.00007 0.00000 0.00000 -0.00001 109 3S -0.00036 -0.00035 0.00000 0.00000 0.00003 110 4S -0.00020 -0.00021 0.00000 0.00000 0.00007 111 5S 0.00135 0.00076 0.00000 0.00000 0.00047 112 6S -0.00460 -0.00288 0.00000 0.00000 -0.00140 113 7PX -0.40770 -0.41923 -0.00024 0.00002 0.00017 114 7PY 0.54933 0.55763 0.00034 -0.00005 0.00012 115 7PZ 0.00006 0.00038 -0.65198 0.72777 0.00000 116 8PX -0.02563 -0.02632 -0.00002 0.00000 -0.00002 117 8PY 0.03449 0.03497 0.00002 0.00000 -0.00002 118 8PZ 0.00000 0.00002 -0.04087 0.04561 0.00000 119 9PX 0.00816 0.00818 0.00000 0.00000 0.00011 120 9PY -0.01063 -0.01062 -0.00001 0.00000 0.00008 121 9PZ 0.00000 -0.00001 0.01233 -0.01372 0.00000 122 10PX -0.00558 -0.00474 0.00000 0.00000 -0.00046 123 10PY 0.00555 0.00531 0.00000 0.00000 -0.00036 124 10PZ 0.00000 0.00000 -0.00611 0.00670 0.00000 125 11XX 0.00039 0.00037 0.00000 0.00000 -0.00004 126 11YY 0.00028 0.00029 0.00000 0.00000 -0.00004 127 11ZZ 0.00034 0.00032 0.00000 0.00000 -0.00005 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00001 129 11XZ 0.00000 0.00000 0.00002 -0.00002 0.00000 130 11YZ 0.00000 0.00000 0.00002 -0.00002 0.00000 131 12XX 0.00037 0.00024 0.00000 0.00000 0.00025 132 12YY 0.00138 0.00102 0.00000 0.00000 0.00024 133 12ZZ 0.00087 0.00071 0.00000 0.00000 0.00024 134 12XY -0.00003 0.00003 0.00000 0.00000 0.00003 135 12XZ 0.00000 0.00000 -0.00022 0.00025 0.00000 136 12YZ 0.00000 0.00000 -0.00020 0.00019 0.00000 137 7 Cl 1S 0.00000 0.00001 0.00000 0.00000 0.00000 138 2S 0.00000 0.00017 0.00000 -0.00008 -0.00001 139 2PX 0.00006 0.00000 0.00000 0.00000 0.00001 140 2PY -0.00001 0.00000 -0.00006 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00005 0.00000 142 3S 0.00000 0.00040 -0.00001 -0.00021 0.00002 143 3PX -0.00035 0.00000 -0.00006 0.00000 0.00001 144 3PY 0.00006 0.00000 0.00033 -0.00002 -0.00001 145 3PZ 0.00000 -0.00003 -0.00002 -0.00029 0.00001 146 4S 0.00004 -0.00385 0.00011 0.00202 0.00013 147 4PX 0.00245 0.00002 0.00093 -0.00005 0.00051 148 4PY -0.00028 0.00000 -0.00095 0.00005 -0.00018 149 4PZ -0.00001 0.00101 0.00003 0.00061 -0.00009 150 5XX 0.00000 0.00029 0.00000 -0.00009 -0.00002 151 5YY 0.00000 0.00029 0.00000 -0.00008 -0.00002 152 5ZZ 0.00000 0.00021 -0.00001 -0.00018 -0.00002 153 5XY 0.00000 -0.00007 0.00000 -0.00004 0.00000 154 5XZ -0.00010 0.00000 -0.00003 0.00000 0.00008 155 5YZ -0.00001 0.00000 0.00003 0.00000 -0.00003 156 8 Cl 1S 0.00000 0.00001 0.00000 0.00000 0.00000 157 2S 0.00000 0.00017 0.00000 0.00008 -0.00001 158 2PX 0.00006 0.00000 0.00000 0.00000 0.00001 159 2PY -0.00001 0.00000 0.00006 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00005 0.00000 161 3S 0.00000 0.00040 0.00001 0.00021 0.00002 162 3PX -0.00035 0.00000 0.00006 0.00000 0.00001 163 3PY 0.00006 0.00000 -0.00033 0.00002 -0.00001 164 3PZ 0.00000 0.00003 -0.00002 -0.00029 -0.00001 165 4S 0.00004 -0.00385 -0.00011 -0.00202 0.00013 166 4PX 0.00245 0.00002 -0.00093 0.00005 0.00051 167 4PY -0.00028 0.00000 0.00095 -0.00005 -0.00018 168 4PZ 0.00001 -0.00101 0.00003 0.00061 0.00009 169 5XX 0.00000 0.00029 0.00001 0.00009 -0.00002 170 5YY 0.00000 0.00029 0.00000 0.00008 -0.00002 171 5ZZ 0.00000 0.00021 0.00001 0.00018 -0.00002 172 5XY 0.00000 -0.00007 0.00000 0.00004 0.00000 173 5XZ 0.00010 0.00000 -0.00003 0.00000 -0.00008 174 5YZ 0.00001 0.00000 0.00003 0.00000 0.00003 16 17 18 19 20 O O O O O Eigenvalues -- -56.16932 -9.52437 -9.52435 -9.46893 -9.46892 1 1 Al 1S 0.62552 0.00002 0.00000 0.00000 0.00000 2 2S 0.00791 -0.00007 0.00000 0.00001 0.00010 3 2PX -0.00003 0.00003 0.00000 -0.00002 -0.00003 4 2PY 0.00001 -0.00001 0.00000 -0.00005 0.00006 5 2PZ 0.00000 0.00000 0.00006 0.00000 0.00000 6 3S -0.01698 0.00081 0.00005 0.00037 0.00001 7 3PX 0.00019 -0.00122 -0.00007 0.00027 0.00003 8 3PY -0.00003 0.00052 0.00003 -0.00046 0.00033 9 3PZ 0.00000 -0.00004 0.00060 0.00000 0.00000 10 4S 0.00164 0.00628 0.00037 0.00436 -0.00778 11 4PX 0.00019 -0.00234 -0.00014 -0.00169 0.00184 12 4PY 0.00000 0.00122 0.00007 -0.00523 0.00177 13 4PZ 0.00000 -0.00013 0.00225 0.00000 0.00000 14 5XX 0.00582 0.00011 0.00001 -0.00005 -0.00002 15 5YY 0.00581 0.00000 0.00000 -0.00033 0.00039 16 5ZZ 0.00582 -0.00013 -0.00001 -0.00009 0.00015 17 5XY -0.00002 -0.00004 0.00000 0.00001 0.00000 18 5XZ 0.00000 0.00000 -0.00005 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00002 0.00000 0.00000 20 2 Al 1S 0.77612 0.00002 0.00000 0.00000 0.00000 21 2S 0.00983 -0.00007 0.00000 0.00002 -0.00010 22 2PX 0.00004 -0.00003 0.00000 0.00002 -0.00002 23 2PY -0.00002 0.00001 0.00000 0.00005 0.00006 24 2PZ 0.00000 0.00000 0.00006 0.00000 0.00000 25 3S -0.02104 0.00081 0.00005 0.00037 0.00002 26 3PX -0.00021 0.00122 0.00007 -0.00027 0.00001 27 3PY 0.00003 -0.00052 -0.00003 0.00043 0.00036 28 3PZ 0.00000 -0.00004 0.00060 0.00000 0.00000 29 4S 0.00206 0.00628 0.00037 0.00375 0.00810 30 4PX -0.00015 0.00234 0.00014 0.00154 0.00197 31 4PY -0.00001 -0.00122 -0.00007 0.00507 0.00217 32 4PZ 0.00000 -0.00013 0.00225 0.00000 0.00000 33 5XX 0.00720 0.00011 0.00001 -0.00006 0.00002 34 5YY 0.00720 0.00000 0.00000 -0.00030 -0.00041 35 5ZZ 0.00724 -0.00013 -0.00001 -0.00008 -0.00016 36 5XY -0.00001 -0.00004 0.00000 0.00001 0.00000 37 5XZ 0.00000 0.00000 0.00005 0.00000 0.00000 38 5YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 39 3 Cl 1S 0.00000 -0.00001 0.00000 -0.20884 0.19337 40 2S -0.00001 0.00012 0.00001 0.75031 -0.69467 41 2PX 0.00000 0.00002 0.00000 -0.00033 0.00030 42 2PY 0.00002 0.00002 0.00000 0.00276 -0.00256 43 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 44 3S 0.00014 0.00024 0.00001 0.05563 -0.05134 45 3PX -0.00001 -0.00013 -0.00001 -0.00021 0.00023 46 3PY -0.00011 -0.00008 0.00000 0.00092 -0.00084 47 3PZ 0.00000 0.00000 0.00008 0.00000 0.00000 48 4S 0.00043 -0.00150 -0.00009 -0.01586 0.01356 49 4PX -0.00004 0.00076 0.00004 0.00071 -0.00072 50 4PY 0.00045 -0.00041 -0.00002 -0.00248 0.00221 51 4PZ 0.00000 0.00003 -0.00048 0.00000 0.00000 52 5XX -0.00003 0.00007 0.00000 -0.01164 0.01089 53 5YY -0.00018 0.00006 0.00000 -0.01146 0.01070 54 5ZZ -0.00002 0.00012 0.00001 -0.01165 0.01088 55 5XY 0.00001 0.00008 0.00000 0.00001 0.00000 56 5XZ 0.00000 0.00000 -0.00003 0.00000 0.00000 57 5YZ 0.00000 0.00000 -0.00004 0.00000 0.00000 58 4 Cl 1S 0.00000 -0.00001 0.00000 -0.19336 -0.20884 59 2S -0.00001 0.00012 0.00001 0.69473 0.75026 60 2PX 0.00000 -0.00002 0.00000 0.00030 0.00032 61 2PY -0.00003 -0.00002 0.00000 -0.00256 -0.00276 62 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 63 3S 0.00016 0.00024 0.00001 0.05152 0.05546 64 3PX 0.00000 0.00013 0.00001 0.00019 0.00025 65 3PY 0.00014 0.00008 0.00000 -0.00085 -0.00091 66 3PZ 0.00000 0.00000 0.00008 0.00000 0.00000 67 4S 0.00059 -0.00150 -0.00009 -0.01477 -0.01473 68 4PX 0.00005 -0.00076 -0.00004 -0.00065 -0.00077 69 4PY -0.00059 0.00041 0.00002 0.00230 0.00239 70 4PZ 0.00000 0.00003 -0.00048 0.00000 0.00000 71 5XX -0.00005 0.00007 0.00000 -0.01077 -0.01175 72 5YY -0.00023 0.00006 0.00000 -0.01061 -0.01155 73 5ZZ -0.00004 0.00012 0.00001 -0.01078 -0.01174 74 5XY 0.00002 0.00008 0.00000 0.00001 0.00000 75 5XZ 0.00000 0.00000 0.00003 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00004 0.00000 0.00000 77 5 Br 1S 0.00002 0.00000 0.00000 0.00000 0.00000 78 2S 0.00006 0.00007 0.00000 -0.00012 0.00001 79 3S -0.00024 -0.00020 -0.00001 0.00035 -0.00002 80 4S -0.00021 -0.00004 0.00000 0.00005 -0.00002 81 5S -0.00017 0.00132 0.00008 -0.00107 -0.00056 82 6S 0.00009 -0.00404 -0.00024 0.00408 0.00144 83 7PX 0.00010 -0.00001 0.00000 0.00001 0.00000 84 7PY 0.00011 0.00001 0.00000 0.00000 0.00001 85 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 86 8PX -0.00001 0.00002 0.00000 -0.00002 0.00001 87 8PY -0.00001 -0.00003 0.00000 0.00001 -0.00003 88 8PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 89 9PX 0.00004 -0.00018 -0.00001 0.00012 -0.00004 90 9PY 0.00005 0.00013 0.00001 -0.00010 0.00018 91 9PZ 0.00000 -0.00001 0.00012 0.00000 0.00000 92 10PX -0.00029 0.00113 0.00007 -0.00046 -0.00020 93 10PY -0.00025 -0.00014 -0.00001 0.00049 -0.00072 94 10PZ 0.00000 0.00003 -0.00053 0.00000 0.00000 95 11XX 0.00024 0.00017 0.00001 -0.00026 0.00003 96 11YY 0.00025 0.00013 0.00001 -0.00023 0.00001 97 11ZZ 0.00025 0.00013 0.00001 -0.00025 0.00001 98 11XY -0.00001 0.00000 0.00000 0.00001 -0.00002 99 11XZ 0.00000 0.00000 0.00001 0.00000 0.00000 100 11YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 101 12XX 0.00007 0.00050 0.00003 -0.00075 -0.00029 102 12YY 0.00008 0.00084 0.00005 -0.00103 -0.00012 103 12ZZ 0.00013 0.00081 0.00005 -0.00082 -0.00015 104 12XY -0.00004 -0.00001 0.00000 -0.00011 0.00015 105 12XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 106 12YZ 0.00000 -0.00001 0.00014 0.00000 0.00000 107 6 Br 1S 0.00002 0.00000 0.00000 0.00000 0.00000 108 2S 0.00007 0.00007 0.00000 -0.00012 -0.00002 109 3S -0.00026 -0.00020 -0.00001 0.00035 0.00004 110 4S -0.00023 -0.00004 0.00000 0.00005 0.00002 111 5S -0.00028 0.00132 0.00008 -0.00111 0.00048 112 6S 0.00039 -0.00404 -0.00024 0.00418 -0.00112 113 7PX -0.00014 0.00001 0.00000 -0.00001 0.00000 114 7PY -0.00014 -0.00001 0.00000 0.00000 0.00001 115 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 116 8PX 0.00002 -0.00002 0.00000 0.00002 0.00001 117 8PY 0.00002 0.00003 0.00000 -0.00001 -0.00003 118 8PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 119 9PX -0.00006 0.00018 0.00001 -0.00012 -0.00005 120 9PY -0.00007 -0.00013 -0.00001 0.00009 0.00019 121 9PZ 0.00000 -0.00001 0.00012 0.00000 0.00000 122 10PX 0.00040 -0.00113 -0.00007 0.00047 -0.00016 123 10PY 0.00033 0.00014 0.00001 -0.00044 -0.00076 124 10PZ 0.00000 0.00003 -0.00053 0.00000 0.00000 125 11XX 0.00026 0.00017 0.00001 -0.00026 -0.00005 126 11YY 0.00026 0.00013 0.00001 -0.00023 -0.00003 127 11ZZ 0.00026 0.00013 0.00001 -0.00025 -0.00003 128 11XY -0.00001 0.00000 0.00000 0.00001 0.00002 129 11XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00002 0.00000 0.00000 131 12XX 0.00002 0.00050 0.00003 -0.00077 0.00023 132 12YY 0.00003 0.00084 0.00005 -0.00104 0.00004 133 12ZZ 0.00008 0.00081 0.00005 -0.00082 0.00008 134 12XY -0.00004 -0.00001 0.00000 -0.00009 -0.00016 135 12XZ 0.00000 0.00000 0.00001 0.00000 0.00000 136 12YZ 0.00000 0.00001 -0.00014 0.00000 0.00000 137 7 Cl 1S 0.00000 -0.18905 -0.21273 0.00002 0.00000 138 2S -0.00005 0.67940 0.76419 0.00003 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 140 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 141 2PZ -0.00003 -0.00242 -0.00274 -0.00003 0.00000 142 3S 0.00015 0.05099 0.05665 0.00026 0.00001 143 3PX 0.00000 0.00000 0.00000 0.00001 -0.00016 144 3PY 0.00000 0.00000 0.00000 -0.00001 0.00022 145 3PZ 0.00007 -0.00087 -0.00081 0.00016 0.00001 146 4S 0.00122 -0.01689 -0.01399 -0.00192 -0.00007 147 4PX -0.00005 0.00000 0.00000 -0.00005 0.00122 148 4PY 0.00002 0.00000 0.00000 0.00005 -0.00140 149 4PZ -0.00081 0.00325 0.00172 0.00012 0.00000 150 5XX -0.00018 -0.01033 -0.01197 0.00014 0.00001 151 5YY -0.00014 -0.01036 -0.01199 0.00003 0.00000 152 5ZZ -0.00020 -0.01037 -0.01199 0.00009 0.00000 153 5XY 0.00002 -0.00003 -0.00001 0.00011 0.00000 154 5XZ -0.00001 0.00000 0.00000 0.00000 -0.00005 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00009 156 8 Cl 1S 0.00000 -0.21271 0.18907 0.00002 0.00000 157 2S -0.00005 0.76438 -0.67918 0.00003 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 159 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 160 2PZ 0.00003 0.00272 -0.00244 0.00003 0.00000 161 3S 0.00015 0.05729 -0.05027 0.00026 0.00001 162 3PX 0.00000 0.00000 0.00000 0.00001 -0.00016 163 3PY 0.00000 0.00000 0.00000 -0.00001 0.00022 164 3PZ -0.00007 0.00096 -0.00070 -0.00016 -0.00001 165 4S 0.00122 -0.01842 0.01191 -0.00192 -0.00007 166 4PX -0.00005 0.00000 0.00000 -0.00005 0.00122 167 4PY 0.00002 0.00000 0.00000 0.00005 -0.00140 168 4PZ 0.00081 -0.00343 0.00132 -0.00012 0.00000 169 5XX -0.00018 -0.01166 0.01067 0.00014 0.00001 170 5YY -0.00014 -0.01170 0.01069 0.00003 0.00000 171 5ZZ -0.00020 -0.01171 0.01069 0.00009 0.00000 172 5XY 0.00002 -0.00003 0.00001 0.00011 0.00000 173 5XZ 0.00001 0.00000 0.00000 0.00000 0.00005 174 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00009 21 22 23 24 25 O O O O O Eigenvalues -- -8.60041 -8.60012 -7.28311 -7.28308 -7.28237 1 1 Al 1S 0.00007 -0.00003 -0.00001 0.00000 0.00001 2 2S -0.00025 -0.00006 -0.00046 -0.00003 0.00005 3 2PX 0.00000 0.00021 -0.00021 -0.00001 -0.00004 4 2PY -0.00015 0.00003 0.00008 0.00000 0.00001 5 2PZ 0.00000 0.00000 -0.00001 0.00015 -0.00009 6 3S 0.00341 -0.00307 -0.00093 -0.00005 0.00127 7 3PX -0.00160 -0.00038 0.00058 0.00003 -0.00015 8 3PY 0.00047 0.00030 -0.00016 -0.00001 0.00007 9 3PZ 0.00000 0.00000 -0.00003 0.00051 -0.00069 10 4S -0.02794 0.03383 0.02253 0.00125 -0.00028 11 4PX -0.01673 0.00751 -0.00880 -0.00049 -0.00027 12 4PY -0.02707 0.01306 0.00371 0.00021 -0.00004 13 4PZ 0.00000 0.00000 -0.00021 0.00376 0.00160 14 5XX -0.00010 0.00006 -0.00107 -0.00006 -0.00036 15 5YY -0.00018 -0.00005 -0.00016 -0.00001 -0.00020 16 5ZZ -0.00075 0.00047 -0.00089 -0.00005 -0.00049 17 5XY 0.00074 -0.00121 0.00058 0.00003 0.00009 18 5XZ 0.00000 0.00000 -0.00004 0.00066 -0.00073 19 5YZ 0.00000 0.00000 0.00001 -0.00026 0.00029 20 2 Al 1S 0.00007 0.00003 0.00001 0.00000 0.00001 21 2S -0.00025 0.00006 0.00046 0.00003 0.00005 22 2PX 0.00000 0.00021 -0.00021 -0.00001 0.00004 23 2PY 0.00015 0.00003 0.00008 0.00000 -0.00001 24 2PZ 0.00000 0.00000 0.00001 -0.00015 -0.00009 25 3S 0.00339 0.00309 0.00093 0.00005 0.00127 26 3PX 0.00160 -0.00037 0.00058 0.00003 0.00015 27 3PY -0.00047 0.00029 -0.00016 -0.00001 -0.00007 28 3PZ 0.00000 0.00000 0.00003 -0.00051 -0.00069 29 4S -0.02776 -0.03399 -0.02253 -0.00125 -0.00027 30 4PX 0.01669 0.00760 -0.00880 -0.00049 0.00027 31 4PY 0.02700 0.01321 0.00371 0.00021 0.00004 32 4PZ 0.00000 0.00000 0.00021 -0.00376 0.00160 33 5XX -0.00010 -0.00006 0.00107 0.00006 -0.00036 34 5YY -0.00018 0.00005 0.00016 0.00001 -0.00020 35 5ZZ -0.00075 -0.00047 0.00089 0.00005 -0.00049 36 5XY 0.00074 0.00122 -0.00058 -0.00003 0.00009 37 5XZ 0.00000 0.00000 -0.00004 0.00066 0.00073 38 5YZ 0.00000 0.00000 0.00001 -0.00026 -0.00029 39 3 Cl 1S 0.00004 0.00000 0.00001 0.00000 0.00000 40 2S 0.00023 0.00010 0.00016 0.00001 -0.00001 41 2PX 0.00009 -0.00018 -0.00005 0.00000 0.00001 42 2PY 0.00002 -0.00001 -0.00011 -0.00001 -0.00003 43 2PZ 0.00000 0.00000 0.00000 0.00004 0.00010 44 3S 0.00077 0.00039 0.00056 0.00003 -0.00003 45 3PX -0.00062 0.00113 -0.00017 -0.00001 0.00002 46 3PY -0.00014 0.00011 -0.00011 -0.00001 -0.00007 47 3PZ 0.00000 0.00000 0.00000 0.00009 0.00024 48 4S -0.00719 -0.00239 -0.00404 -0.00023 0.00014 49 4PX 0.00356 -0.00356 0.00127 0.00007 0.00003 50 4PY 0.00129 -0.00229 -0.00131 -0.00007 0.00009 51 4PZ 0.00000 0.00000 0.00004 -0.00064 -0.00064 52 5XX 0.00050 0.00025 0.00025 0.00001 -0.00003 53 5YY 0.00092 -0.00017 0.00012 0.00001 -0.00004 54 5ZZ 0.00053 -0.00004 0.00022 0.00001 -0.00003 55 5XY 0.00030 -0.00024 0.00009 0.00000 0.00001 56 5XZ 0.00000 0.00000 0.00000 -0.00006 0.00004 57 5YZ 0.00000 0.00000 0.00000 -0.00006 -0.00001 58 4 Cl 1S 0.00004 0.00000 -0.00001 0.00000 0.00000 59 2S 0.00023 -0.00010 -0.00016 -0.00001 -0.00001 60 2PX -0.00009 -0.00018 -0.00005 0.00000 -0.00001 61 2PY -0.00002 -0.00001 -0.00011 -0.00001 0.00003 62 2PZ 0.00000 0.00000 0.00000 -0.00004 0.00010 63 3S 0.00077 -0.00038 -0.00056 -0.00003 -0.00003 64 3PX 0.00061 0.00114 -0.00017 -0.00001 -0.00001 65 3PY 0.00014 0.00011 -0.00011 -0.00001 0.00007 66 3PZ 0.00000 0.00000 0.00000 -0.00009 0.00024 67 4S -0.00721 0.00235 0.00404 0.00022 0.00014 68 4PX -0.00354 -0.00358 0.00127 0.00007 -0.00003 69 4PY -0.00128 -0.00230 -0.00131 -0.00007 -0.00009 70 4PZ 0.00000 0.00000 -0.00004 0.00064 -0.00064 71 5XX 0.00050 -0.00025 -0.00025 -0.00001 -0.00003 72 5YY 0.00092 0.00017 -0.00012 -0.00001 -0.00004 73 5ZZ 0.00053 0.00005 -0.00022 -0.00001 -0.00003 74 5XY 0.00030 0.00024 -0.00009 0.00000 0.00001 75 5XZ 0.00000 0.00000 0.00000 -0.00006 -0.00004 76 5YZ 0.00000 0.00000 0.00000 -0.00006 0.00001 77 5 Br 1S 0.11886 -0.11823 0.00001 0.00000 0.00000 78 2S -0.66781 0.66356 0.00004 0.00000 -0.00002 79 3S 0.61849 -0.61324 -0.00021 -0.00001 0.00009 80 4S 0.88282 -0.87787 0.00005 0.00000 -0.00003 81 5S 0.18789 -0.19463 0.00275 0.00015 -0.00034 82 6S 0.25782 -0.22990 -0.00834 -0.00047 0.00113 83 7PX 0.00112 -0.00109 -0.00001 0.00000 0.00000 84 7PY 0.00084 -0.00082 0.00001 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001 86 8PX -0.00294 0.00285 0.00002 0.00000 -0.00001 87 8PY -0.00219 0.00210 -0.00003 0.00000 -0.00001 88 8PZ 0.00000 0.00000 0.00000 -0.00002 -0.00004 89 9PX 0.00424 -0.00366 -0.00028 -0.00002 0.00008 90 9PY 0.00256 -0.00211 0.00016 0.00001 0.00005 91 9PZ 0.00000 0.00000 -0.00001 0.00013 0.00026 92 10PX -0.01363 0.01099 0.00239 0.00013 -0.00010 93 10PY -0.00806 0.00645 0.00019 0.00001 -0.00010 94 10PZ 0.00000 0.00000 0.00004 -0.00070 -0.00063 95 11XX -0.31429 0.31124 0.00018 0.00001 -0.00006 96 11YY -0.31438 0.31138 0.00014 0.00001 -0.00007 97 11ZZ -0.31474 0.31168 0.00014 0.00001 -0.00006 98 11XY 0.00044 -0.00048 0.00002 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00002 -0.00002 100 11YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 101 12XX -0.11027 0.10432 0.00102 0.00006 -0.00030 102 12YY -0.11131 0.10497 0.00144 0.00008 -0.00028 103 12ZZ -0.11106 0.10510 0.00138 0.00008 -0.00029 104 12XY 0.00068 -0.00033 -0.00022 -0.00001 -0.00001 105 12XZ 0.00000 0.00000 0.00000 -0.00006 0.00014 106 12YZ 0.00000 0.00000 -0.00001 0.00023 -0.00002 107 6 Br 1S 0.11818 0.11891 -0.00001 0.00000 0.00000 108 2S -0.66401 -0.66736 -0.00004 0.00000 -0.00002 109 3S 0.61497 0.61677 0.00021 0.00001 0.00009 110 4S 0.87779 0.88290 -0.00005 0.00000 -0.00003 111 5S 0.18678 0.19570 -0.00275 -0.00015 -0.00034 112 6S 0.25651 0.23137 0.00834 0.00046 0.00113 113 7PX -0.00112 -0.00110 -0.00001 0.00000 0.00000 114 7PY -0.00084 -0.00082 0.00001 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001 116 8PX 0.00293 0.00287 0.00002 0.00000 0.00001 117 8PY 0.00218 0.00212 -0.00003 0.00000 0.00001 118 8PZ 0.00000 0.00000 0.00000 0.00002 -0.00004 119 9PX -0.00422 -0.00368 -0.00028 -0.00002 -0.00008 120 9PY -0.00254 -0.00212 0.00016 0.00001 -0.00005 121 9PZ 0.00000 0.00000 0.00001 -0.00013 0.00026 122 10PX 0.01357 0.01107 0.00239 0.00013 0.00010 123 10PY 0.00802 0.00649 0.00019 0.00001 0.00010 124 10PZ 0.00000 0.00000 -0.00004 0.00070 -0.00063 125 11XX -0.31251 -0.31304 -0.00018 -0.00001 -0.00006 126 11YY -0.31259 -0.31317 -0.00014 -0.00001 -0.00007 127 11ZZ -0.31296 -0.31348 -0.00014 -0.00001 -0.00006 128 11XY 0.00044 0.00048 -0.00002 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00002 0.00002 130 11YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 131 12XX -0.10967 -0.10495 -0.00102 -0.00006 -0.00030 132 12YY -0.11071 -0.10560 -0.00144 -0.00008 -0.00028 133 12ZZ -0.11046 -0.10573 -0.00138 -0.00008 -0.00029 134 12XY 0.00068 0.00033 0.00022 0.00001 -0.00001 135 12XZ 0.00000 0.00000 0.00000 -0.00006 -0.00014 136 12YZ 0.00000 0.00000 -0.00001 0.00023 0.00002 137 7 Cl 1S -0.00004 0.00000 0.00000 0.00000 -0.00055 138 2S -0.00034 0.00000 0.00000 0.00000 0.00195 139 2PX 0.00000 -0.00014 0.61414 0.68660 -0.00008 140 2PY 0.00000 -0.00007 -0.24262 -0.27133 0.00006 141 2PZ 0.00016 0.00000 0.00014 0.00016 0.47876 142 3S -0.00166 0.00000 0.00000 0.00000 -0.00012 143 3PX 0.00000 0.00102 0.01950 0.02121 0.00000 144 3PY 0.00000 0.00046 -0.00768 -0.00837 0.00000 145 3PZ -0.00095 0.00000 0.00000 0.00000 0.01462 146 4S 0.01045 0.00003 0.00000 0.00000 -0.00016 147 4PX 0.00002 -0.00768 -0.01076 -0.00862 0.00000 148 4PY 0.00000 -0.00199 0.00415 0.00339 0.00000 149 4PZ -0.00024 0.00000 0.00000 0.00000 -0.00543 150 5XX 0.00012 0.00000 0.00000 0.00000 -0.00023 151 5YY -0.00079 0.00000 0.00000 0.00000 -0.00017 152 5ZZ -0.00037 0.00000 0.00000 0.00000 -0.00016 153 5XY 0.00029 0.00000 0.00000 0.00000 0.00003 154 5XZ 0.00000 0.00042 -0.00011 -0.00027 0.00000 155 5YZ 0.00000 0.00015 0.00005 0.00011 0.00000 156 8 Cl 1S -0.00004 0.00000 0.00000 0.00000 0.00099 157 2S -0.00034 0.00000 0.00000 0.00000 -0.00356 158 2PX 0.00000 -0.00014 0.68654 -0.61421 -0.00018 159 2PY 0.00000 -0.00007 -0.27123 0.24274 0.00002 160 2PZ -0.00016 0.00000 0.00015 -0.00014 0.86732 161 3S -0.00166 0.00000 0.00000 0.00000 0.00032 162 3PX 0.00000 0.00102 0.02173 -0.01891 -0.00001 163 3PY 0.00000 0.00046 -0.00856 0.00747 0.00000 164 3PZ 0.00095 0.00000 0.00000 0.00000 0.02617 165 4S 0.01045 0.00003 0.00000 0.00000 -0.00048 166 4PX 0.00002 -0.00768 -0.01165 0.00737 0.00000 167 4PY 0.00001 -0.00199 0.00450 -0.00291 0.00000 168 4PZ 0.00024 0.00000 0.00000 0.00000 -0.00892 169 5XX 0.00012 0.00000 0.00000 0.00000 0.00025 170 5YY -0.00079 0.00000 0.00000 0.00000 0.00015 171 5ZZ -0.00037 0.00000 0.00000 0.00000 0.00045 172 5XY 0.00029 0.00000 0.00000 0.00000 -0.00005 173 5XZ 0.00000 -0.00042 0.00014 -0.00026 0.00000 174 5YZ 0.00000 -0.00015 -0.00006 0.00010 0.00000 26 27 28 29 30 O O O O O Eigenvalues -- -7.28236 -7.27887 -7.27883 -7.22930 -7.22930 1 1 Al 1S -0.00004 0.00000 0.00000 0.00003 -0.00002 2 2S -0.00016 -0.00001 0.00000 0.00011 -0.00010 3 2PX 0.00014 0.00000 0.00000 0.00003 0.00002 4 2PY -0.00005 -0.00002 0.00000 -0.00032 0.00017 5 2PZ -0.00003 0.00000 0.00000 0.00000 0.00000 6 3S -0.00439 0.00004 0.00000 0.00377 -0.00257 7 3PX 0.00053 0.00011 0.00000 0.00005 -0.00026 8 3PY -0.00024 0.00031 0.00001 0.00114 -0.00051 9 3PZ -0.00020 0.00000 -0.00001 0.00000 0.00000 10 4S 0.00094 0.00048 0.00002 0.00268 -0.00068 11 4PX 0.00094 0.00165 0.00007 -0.00060 -0.00008 12 4PY 0.00015 0.00390 0.00015 0.00067 -0.00023 13 4PZ 0.00046 0.00000 0.00005 0.00000 0.00000 14 5XX 0.00126 -0.00007 0.00000 -0.00042 0.00041 15 5YY 0.00071 -0.00004 0.00000 -0.00337 0.00219 16 5ZZ 0.00170 -0.00003 0.00000 -0.00065 0.00039 17 5XY -0.00031 -0.00008 0.00000 0.00035 -0.00035 18 5XZ -0.00021 0.00000 0.00004 0.00000 0.00000 19 5YZ 0.00008 -0.00001 0.00013 0.00000 0.00000 20 2 Al 1S -0.00004 0.00000 0.00000 -0.00002 -0.00003 21 2S -0.00016 0.00001 0.00000 -0.00006 -0.00014 22 2PX -0.00014 0.00000 0.00000 0.00003 0.00000 23 2PY 0.00005 -0.00002 0.00000 -0.00022 -0.00029 24 2PZ -0.00003 0.00000 0.00000 0.00000 0.00000 25 3S -0.00439 -0.00004 0.00000 -0.00229 -0.00394 26 3PX -0.00053 0.00011 0.00000 -0.00007 0.00026 27 3PY 0.00024 0.00031 0.00001 0.00081 0.00095 28 3PZ -0.00020 0.00000 0.00001 0.00000 0.00000 29 4S 0.00094 -0.00048 -0.00002 -0.00213 -0.00177 30 4PX -0.00093 0.00165 0.00007 -0.00058 -0.00018 31 4PY -0.00015 0.00390 0.00016 0.00050 0.00050 32 4PZ 0.00046 0.00000 -0.00005 0.00000 0.00000 33 5XX 0.00126 0.00007 0.00000 0.00020 0.00055 34 5YY 0.00071 0.00004 0.00000 0.00210 0.00343 35 5ZZ 0.00170 0.00003 0.00000 0.00042 0.00063 36 5XY -0.00031 0.00008 0.00000 -0.00017 -0.00047 37 5XZ 0.00021 0.00000 0.00004 0.00000 0.00000 38 5YZ -0.00008 -0.00001 0.00013 0.00000 0.00000 39 3 Cl 1S 0.00001 -0.00001 0.00000 0.00100 -0.00063 40 2S 0.00004 -0.00007 0.00000 -0.00361 0.00228 41 2PX -0.00003 -0.00001 0.00000 -0.08888 0.05610 42 2PY 0.00011 0.00014 0.00001 0.83314 -0.52549 43 2PZ 0.00003 -0.00001 0.00013 -0.00002 0.00001 44 3S 0.00012 -0.00029 -0.00001 0.00009 -0.00005 45 3PX -0.00005 -0.00002 0.00000 -0.00273 0.00173 46 3PY 0.00023 0.00026 0.00001 0.02530 -0.01594 47 3PZ 0.00007 -0.00001 0.00028 0.00000 0.00000 48 4S -0.00049 0.00226 0.00009 -0.00051 0.00030 49 4PX -0.00010 -0.00028 -0.00001 0.00086 -0.00052 50 4PY -0.00031 -0.00017 -0.00001 -0.00708 0.00445 51 4PZ -0.00018 0.00002 -0.00059 0.00000 0.00000 52 5XX 0.00011 -0.00006 0.00000 -0.00001 0.00001 53 5YY 0.00014 -0.00011 0.00000 0.00113 -0.00071 54 5ZZ 0.00011 -0.00008 0.00000 -0.00003 0.00002 55 5XY -0.00004 -0.00001 0.00000 -0.00014 0.00009 56 5XZ 0.00001 0.00000 0.00004 0.00000 0.00000 57 5YZ 0.00000 0.00000 -0.00004 0.00000 0.00000 58 4 Cl 1S 0.00001 0.00001 0.00000 -0.00063 -0.00100 59 2S 0.00004 0.00007 0.00000 0.00228 0.00361 60 2PX 0.00003 -0.00001 0.00000 -0.05610 -0.08901 61 2PY -0.00011 0.00014 0.00001 0.52548 0.83313 62 2PZ 0.00003 0.00001 -0.00013 -0.00001 -0.00002 63 3S 0.00012 0.00029 0.00001 -0.00006 -0.00008 64 3PX 0.00005 -0.00002 0.00000 -0.00173 -0.00274 65 3PY -0.00023 0.00026 0.00001 0.01597 0.02528 66 3PZ 0.00007 0.00001 -0.00028 0.00000 0.00000 67 4S -0.00050 -0.00226 -0.00009 0.00033 0.00049 68 4PX 0.00010 -0.00028 -0.00001 0.00055 0.00084 69 4PY 0.00031 -0.00017 -0.00001 -0.00447 -0.00707 70 4PZ -0.00018 -0.00002 0.00059 0.00000 0.00000 71 5XX 0.00011 0.00006 0.00000 0.00001 0.00002 72 5YY 0.00014 0.00011 0.00000 -0.00072 -0.00112 73 5ZZ 0.00011 0.00008 0.00000 0.00002 0.00003 74 5XY -0.00004 0.00001 0.00000 0.00009 0.00014 75 5XZ -0.00001 0.00000 0.00004 0.00000 0.00000 76 5YZ 0.00000 0.00000 -0.00004 0.00000 0.00000 77 5 Br 1S 0.00001 0.00001 0.00000 0.00000 0.00000 78 2S 0.00006 0.00004 0.00000 0.00000 -0.00001 79 3S -0.00031 -0.00023 -0.00001 0.00001 0.00003 80 4S 0.00009 0.00004 0.00000 0.00000 -0.00001 81 5S 0.00117 0.00161 0.00006 0.00073 -0.00051 82 6S -0.00391 -0.00552 -0.00022 -0.00211 0.00156 83 7PX -0.00001 0.00001 0.00000 0.00000 0.00000 84 7PY -0.00001 0.00001 0.00000 0.00001 -0.00001 85 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 86 8PX 0.00004 -0.00002 0.00000 0.00001 -0.00001 87 8PY 0.00003 -0.00002 0.00000 -0.00004 0.00002 88 8PZ -0.00001 0.00000 0.00005 0.00000 0.00000 89 9PX -0.00026 0.00012 0.00000 -0.00006 0.00006 90 9PY -0.00017 0.00013 0.00001 0.00019 -0.00010 91 9PZ 0.00008 0.00001 -0.00029 0.00000 0.00000 92 10PX 0.00034 0.00039 0.00002 0.00062 -0.00040 93 10PY 0.00036 -0.00011 0.00000 0.00006 -0.00010 94 10PZ -0.00018 -0.00002 0.00053 0.00000 0.00000 95 11XX 0.00022 0.00016 0.00001 -0.00002 -0.00002 96 11YY 0.00023 0.00018 0.00001 -0.00001 -0.00002 97 11ZZ 0.00022 0.00017 0.00001 0.00000 -0.00003 98 11XY 0.00000 -0.00002 0.00000 0.00002 -0.00001 99 11XZ -0.00001 0.00000 0.00003 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00105 0.00094 0.00004 0.00026 -0.00026 102 12YY 0.00096 0.00090 0.00004 0.00022 -0.00021 103 12ZZ 0.00100 0.00089 0.00004 0.00019 -0.00022 104 12XY 0.00003 0.00011 0.00000 -0.00015 0.00011 105 12XZ 0.00004 0.00001 -0.00021 0.00000 0.00000 106 12YZ -0.00001 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00001 -0.00001 0.00000 0.00000 0.00000 108 2S 0.00006 -0.00004 0.00000 0.00001 0.00000 109 3S -0.00031 0.00023 0.00001 -0.00003 0.00002 110 4S 0.00009 -0.00004 0.00000 0.00000 0.00000 111 5S 0.00117 -0.00161 -0.00006 -0.00043 -0.00078 112 6S -0.00391 0.00552 0.00022 0.00123 0.00232 113 7PX 0.00001 0.00001 0.00000 0.00000 0.00000 114 7PY 0.00001 0.00001 0.00000 0.00001 0.00001 115 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 116 8PX -0.00004 -0.00002 0.00000 0.00000 0.00001 117 8PY -0.00003 -0.00002 0.00000 -0.00002 -0.00003 118 8PZ -0.00001 0.00000 -0.00005 0.00000 0.00000 119 9PX 0.00026 0.00012 0.00000 -0.00003 -0.00008 120 9PY 0.00017 0.00013 0.00001 0.00013 0.00017 121 9PZ 0.00008 -0.00001 0.00029 0.00000 0.00000 122 10PX -0.00034 0.00039 0.00002 0.00039 0.00063 123 10PY -0.00036 -0.00011 0.00000 0.00001 0.00012 124 10PZ -0.00018 0.00002 -0.00053 0.00000 0.00000 125 11XX 0.00022 -0.00016 -0.00001 0.00002 -0.00001 126 11YY 0.00023 -0.00018 -0.00001 0.00002 -0.00002 127 11ZZ 0.00022 -0.00017 -0.00001 0.00001 -0.00003 128 11XY 0.00000 0.00002 0.00000 -0.00001 -0.00002 129 11XZ 0.00001 0.00000 0.00003 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00105 -0.00094 -0.00004 -0.00012 -0.00034 132 12YY 0.00096 -0.00090 -0.00004 -0.00010 -0.00029 133 12ZZ 0.00100 -0.00089 -0.00004 -0.00007 -0.00028 134 12XY 0.00003 -0.00011 0.00000 0.00009 0.00016 135 12XZ -0.00004 0.00001 -0.00021 0.00000 0.00000 136 12YZ 0.00001 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S -0.00100 0.00000 0.00000 0.00000 0.00000 138 2S 0.00358 0.00000 0.00000 0.00000 -0.00001 139 2PX -0.00015 0.24699 0.26756 0.00006 0.00001 140 2PY 0.00012 0.62521 0.67706 -0.00028 -0.00006 141 2PZ 0.86735 -0.00004 -0.00005 -0.00004 0.00020 142 3S -0.00040 0.00000 0.00000 0.00001 -0.00006 143 3PX 0.00000 0.00741 0.00776 -0.00004 -0.00001 144 3PY 0.00000 0.01871 0.01963 0.00031 0.00007 145 3PZ 0.02591 0.00000 0.00000 0.00005 -0.00021 146 4S 0.00114 0.00000 0.00000 -0.00017 0.00075 147 4PX 0.00000 -0.00301 -0.00230 -0.00061 -0.00014 148 4PY 0.00000 -0.00728 -0.00577 -0.00055 -0.00012 149 4PZ -0.00812 0.00000 0.00000 0.00001 -0.00002 150 5XX -0.00011 0.00000 0.00000 -0.00003 0.00011 151 5YY -0.00001 0.00000 0.00000 0.00000 0.00000 152 5ZZ -0.00058 0.00000 0.00000 -0.00002 0.00009 153 5XY 0.00004 0.00000 0.00000 0.00000 0.00002 154 5XZ 0.00000 -0.00002 -0.00006 0.00009 0.00002 155 5YZ 0.00000 -0.00007 -0.00015 0.00000 0.00000 156 8 Cl 1S -0.00055 0.00000 0.00000 0.00000 0.00000 157 2S 0.00199 0.00000 0.00000 0.00000 -0.00001 158 2PX 0.00010 0.26745 -0.24712 0.00006 0.00001 159 2PY -0.00001 0.67698 -0.62530 -0.00028 -0.00006 160 2PZ -0.47883 0.00004 -0.00004 0.00004 -0.00020 161 3S -0.00028 0.00000 0.00000 0.00001 -0.00006 162 3PX 0.00000 0.00801 -0.00715 -0.00004 -0.00001 163 3PY 0.00000 0.02021 -0.01808 0.00031 0.00007 164 3PZ -0.01413 0.00000 0.00000 -0.00005 0.00021 165 4S 0.00105 0.00000 0.00000 -0.00017 0.00075 166 4PX 0.00000 -0.00318 0.00205 -0.00061 -0.00014 167 4PY 0.00000 -0.00772 0.00518 -0.00055 -0.00012 168 4PZ 0.00398 0.00000 0.00000 -0.00001 0.00002 169 5XX 0.00003 0.00000 0.00000 -0.00003 0.00011 170 5YY 0.00008 0.00000 0.00000 0.00000 0.00000 171 5ZZ -0.00041 0.00000 0.00000 -0.00002 0.00009 172 5XY 0.00001 0.00000 0.00000 0.00000 0.00002 173 5XZ 0.00000 0.00002 -0.00006 -0.00009 -0.00002 174 5YZ 0.00000 0.00008 -0.00015 0.00000 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -7.22468 -7.22467 -7.22448 -7.22447 -6.54927 1 1 Al 1S 0.00000 0.00000 0.00002 -0.00001 -0.00003 2 2S 0.00000 0.00000 0.00028 -0.00004 -0.00002 3 2PX 0.00000 0.00000 0.00001 -0.00005 -0.00020 4 2PY 0.00000 0.00000 -0.00001 0.00003 -0.00017 5 2PZ 0.00003 0.00005 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.00208 -0.00060 -0.00335 7 3PX 0.00000 0.00000 0.00009 0.00022 -0.00023 8 3PY 0.00000 0.00000 0.00032 -0.00034 0.00011 9 3PZ 0.00005 -0.00025 0.00000 0.00000 0.00000 10 4S 0.00000 0.00000 -0.00880 0.00030 -0.00588 11 4PX 0.00000 0.00000 0.00840 -0.00355 -0.00045 12 4PY 0.00000 0.00000 -0.00089 -0.00046 -0.00254 13 4PZ 0.00307 0.00195 0.00000 0.00000 0.00000 14 5XX 0.00000 0.00000 -0.00004 -0.00005 0.00180 15 5YY 0.00000 0.00000 -0.00014 -0.00003 0.00134 16 5ZZ 0.00000 0.00000 -0.00008 0.00035 0.00071 17 5XY 0.00000 0.00000 0.00031 -0.00013 0.00110 18 5XZ -0.00012 0.00001 0.00000 0.00000 0.00000 19 5YZ 0.00019 -0.00001 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00000 -0.00002 -0.00001 -0.00001 21 2S 0.00000 0.00000 -0.00028 -0.00007 -0.00007 22 2PX 0.00000 0.00000 0.00001 0.00005 0.00002 23 2PY 0.00000 0.00000 -0.00001 -0.00003 0.00005 24 2PZ -0.00001 0.00005 0.00000 0.00000 0.00000 25 3S 0.00000 0.00000 -0.00202 -0.00079 -0.00108 26 3PX 0.00000 0.00000 0.00011 -0.00021 0.00029 27 3PY 0.00000 0.00000 0.00029 0.00037 -0.00004 28 3PZ -0.00012 -0.00023 0.00000 0.00000 0.00000 29 4S 0.00000 0.00000 0.00873 0.00109 0.00017 30 4PX 0.00000 0.00000 0.00804 0.00429 0.00124 31 4PY 0.00000 0.00000 -0.00093 0.00038 0.00117 32 4PZ -0.00245 0.00269 0.00000 0.00000 0.00000 33 5XX 0.00000 0.00000 0.00004 -0.00005 0.00054 34 5YY 0.00000 0.00000 0.00014 -0.00002 0.00033 35 5ZZ 0.00000 0.00000 0.00005 0.00036 0.00013 36 5XY 0.00000 0.00000 -0.00030 -0.00016 0.00025 37 5XZ -0.00012 0.00002 0.00000 0.00000 0.00000 38 5YZ 0.00019 -0.00004 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 -0.00002 0.00002 0.00000 40 2S 0.00000 0.00000 -0.00001 -0.00002 -0.00004 41 2PX -0.00011 -0.00009 0.72742 -0.66459 -0.00003 42 2PY 0.00001 0.00001 0.07761 -0.07095 -0.00002 43 2PZ 0.78745 0.60160 0.00011 -0.00009 0.00000 44 3S 0.00000 0.00000 -0.00025 0.00011 -0.00007 45 3PX 0.00000 0.00000 0.02155 -0.01953 0.00007 46 3PY 0.00000 0.00000 0.00223 -0.00203 0.00004 47 3PZ 0.02296 0.01751 0.00000 0.00000 0.00000 48 4S 0.00000 0.00000 0.00162 -0.00059 0.00073 49 4PX 0.00000 0.00000 -0.00801 0.00664 0.00006 50 4PY 0.00000 0.00000 -0.00020 0.00044 0.00055 51 4PZ -0.00727 -0.00545 0.00000 0.00000 0.00000 52 5XX 0.00000 0.00000 -0.00017 0.00009 -0.00009 53 5YY 0.00000 0.00000 -0.00007 0.00003 0.00001 54 5ZZ 0.00000 0.00000 -0.00011 0.00007 -0.00004 55 5XY 0.00000 0.00000 0.00007 -0.00010 0.00009 56 5XZ -0.00003 -0.00001 0.00000 0.00000 0.00000 57 5YZ 0.00016 0.00012 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00002 0.00002 0.00000 59 2S 0.00000 0.00000 0.00001 -0.00002 0.00001 60 2PX 0.00008 -0.00012 0.66455 0.72743 0.00001 61 2PY -0.00001 0.00001 0.07098 0.07774 0.00000 62 2PZ -0.60160 0.78745 0.00010 0.00010 0.00000 63 3S 0.00000 0.00000 0.00024 0.00013 0.00006 64 3PX 0.00000 0.00000 0.01970 0.02139 -0.00004 65 3PY 0.00000 0.00000 0.00204 0.00223 0.00000 66 3PZ -0.01755 0.02293 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 -0.00156 -0.00073 -0.00047 68 4PX 0.00000 0.00000 -0.00738 -0.00733 -0.00010 69 4PY 0.00000 0.00000 -0.00016 -0.00045 -0.00005 70 4PZ 0.00558 -0.00717 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00016 0.00011 0.00002 72 5YY 0.00000 0.00000 0.00007 0.00003 0.00005 73 5ZZ 0.00000 0.00000 0.00011 0.00008 0.00002 74 5XY 0.00000 0.00000 -0.00006 -0.00011 0.00003 75 5XZ -0.00002 0.00002 0.00000 0.00000 0.00000 76 5YZ 0.00013 -0.00016 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00002 -0.00001 0.00060 78 2S 0.00000 0.00000 0.00006 -0.00002 -0.00414 79 3S 0.00000 0.00000 -0.00034 0.00012 0.00548 80 4S 0.00000 0.00000 0.00005 -0.00002 0.00432 81 5S 0.00000 0.00000 0.00170 -0.00109 -0.00385 82 6S 0.00000 0.00000 -0.00570 0.00363 0.01795 83 7PX 0.00000 0.00000 0.00001 -0.00001 -0.32800 84 7PY 0.00000 0.00000 0.00000 0.00000 -0.25835 85 7PZ 0.00001 0.00001 0.00000 0.00000 -0.00001 86 8PX 0.00000 0.00000 -0.00003 0.00004 0.80491 87 8PY 0.00000 0.00000 0.00002 -0.00001 0.63399 88 8PZ -0.00005 -0.00004 0.00000 0.00000 0.00002 89 9PX 0.00000 0.00000 0.00020 -0.00024 0.02173 90 9PY 0.00000 0.00000 -0.00017 0.00011 0.01693 91 9PZ 0.00033 0.00029 0.00000 0.00000 0.00000 92 10PX 0.00000 0.00000 -0.00040 0.00028 -0.00717 93 10PY 0.00000 0.00000 0.00098 -0.00066 -0.00511 94 10PZ -0.00097 -0.00075 0.00000 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00024 -0.00008 -0.00364 96 11YY 0.00000 0.00000 0.00026 -0.00009 -0.00300 97 11ZZ 0.00000 0.00000 0.00025 -0.00010 -0.00199 98 11XY 0.00000 0.00000 0.00000 -0.00001 -0.00149 99 11XZ -0.00002 -0.00002 0.00000 0.00000 0.00000 100 11YZ -0.00002 -0.00001 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00122 -0.00066 -0.00482 102 12YY 0.00000 0.00000 0.00102 -0.00053 -0.00489 103 12ZZ 0.00000 0.00000 0.00120 -0.00048 -0.00468 104 12XY 0.00000 0.00000 -0.00005 0.00007 -0.00018 105 12XZ 0.00015 0.00013 0.00000 0.00000 0.00000 106 12YZ 0.00013 0.00006 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 -0.00002 -0.00001 0.00015 108 2S 0.00000 0.00000 -0.00006 -0.00003 -0.00110 109 3S 0.00000 0.00000 0.00032 0.00015 0.00151 110 4S 0.00000 0.00000 -0.00005 -0.00002 0.00111 111 5S 0.00000 0.00000 -0.00159 -0.00124 -0.00138 112 6S 0.00000 0.00000 0.00535 0.00412 0.00592 113 7PX 0.00000 0.00000 0.00001 0.00001 0.08568 114 7PY 0.00000 0.00000 0.00000 0.00000 0.06752 115 7PZ -0.00001 0.00001 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 -0.00003 -0.00004 -0.21025 117 8PY 0.00000 0.00000 0.00002 0.00001 -0.16570 118 8PZ 0.00004 -0.00005 0.00000 0.00000 -0.00001 119 9PX 0.00000 0.00000 0.00018 0.00026 -0.00569 120 9PY 0.00000 0.00000 -0.00016 -0.00012 -0.00445 121 9PZ -0.00024 0.00036 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 -0.00037 -0.00031 0.00193 123 10PY 0.00000 0.00000 0.00092 0.00075 0.00144 124 10PZ 0.00074 -0.00097 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 -0.00024 -0.00010 -0.00101 126 11YY 0.00000 0.00000 -0.00026 -0.00011 -0.00084 127 11ZZ 0.00000 0.00000 -0.00024 -0.00013 -0.00057 128 11XY 0.00000 0.00000 0.00000 -0.00001 -0.00039 129 11XZ -0.00001 0.00002 0.00000 0.00000 0.00000 130 11YZ -0.00001 0.00001 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 -0.00115 -0.00076 -0.00151 132 12YY 0.00000 0.00000 -0.00097 -0.00062 -0.00154 133 12ZZ 0.00000 0.00000 -0.00116 -0.00059 -0.00150 134 12XY 0.00000 0.00000 0.00004 0.00007 -0.00003 135 12XZ 0.00011 -0.00017 0.00000 0.00000 0.00000 136 12YZ 0.00011 -0.00010 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00001 0.00000 0.00001 0.00000 138 2S 0.00001 0.00004 0.00000 0.00010 -0.00006 139 2PX -0.00015 0.00002 0.00011 0.00000 -0.00001 140 2PY -0.00020 0.00003 -0.00005 0.00000 -0.00001 141 2PZ -0.00003 -0.00019 0.00000 -0.00003 0.00005 142 3S 0.00003 0.00020 -0.00002 0.00035 -0.00019 143 3PX 0.00021 -0.00003 -0.00015 -0.00001 0.00001 144 3PY 0.00023 -0.00003 0.00008 0.00000 0.00006 145 3PZ 0.00003 0.00025 0.00000 0.00001 -0.00018 146 4S -0.00022 -0.00162 0.00013 -0.00292 0.00161 147 4PX -0.00110 0.00015 0.00120 0.00005 0.00056 148 4PY -0.00027 0.00004 -0.00100 -0.00005 -0.00022 149 4PZ -0.00008 -0.00060 -0.00003 0.00070 -0.00015 150 5XX 0.00000 -0.00001 -0.00001 0.00018 0.00000 151 5YY 0.00001 0.00006 0.00000 0.00011 -0.00009 152 5ZZ 0.00001 0.00009 0.00000 0.00007 -0.00004 153 5XY -0.00001 -0.00004 0.00000 -0.00002 0.00000 154 5XZ 0.00003 0.00000 -0.00004 0.00000 -0.00005 155 5YZ 0.00003 0.00000 0.00004 0.00000 0.00000 156 8 Cl 1S 0.00000 -0.00001 0.00000 0.00001 0.00000 157 2S -0.00001 -0.00004 0.00000 0.00010 -0.00006 158 2PX 0.00015 -0.00002 0.00011 0.00000 -0.00001 159 2PY 0.00020 -0.00003 -0.00005 0.00000 -0.00001 160 2PZ -0.00003 -0.00019 0.00000 0.00003 -0.00005 161 3S -0.00003 -0.00020 -0.00002 0.00035 -0.00019 162 3PX -0.00021 0.00003 -0.00015 -0.00001 0.00001 163 3PY -0.00023 0.00003 0.00008 0.00000 0.00006 164 3PZ 0.00003 0.00025 0.00000 -0.00001 0.00018 165 4S 0.00022 0.00162 0.00013 -0.00292 0.00161 166 4PX 0.00110 -0.00015 0.00120 0.00005 0.00056 167 4PY 0.00027 -0.00004 -0.00100 -0.00005 -0.00022 168 4PZ -0.00008 -0.00060 0.00003 -0.00070 0.00015 169 5XX 0.00000 0.00001 -0.00001 0.00018 0.00000 170 5YY -0.00001 -0.00006 0.00000 0.00011 -0.00009 171 5ZZ -0.00001 -0.00009 0.00000 0.00007 -0.00004 172 5XY 0.00001 0.00004 0.00000 -0.00002 0.00000 173 5XZ 0.00003 0.00000 0.00004 0.00000 0.00005 174 5YZ 0.00003 0.00000 -0.00004 0.00000 0.00000 36 37 38 39 40 O O O O O Eigenvalues -- -6.54927 -6.54265 -6.54265 -6.54240 -6.54240 1 1 Al 1S -0.00001 0.00000 0.00000 -0.00002 0.00000 2 2S 0.00006 0.00000 0.00000 -0.00028 0.00000 3 2PX -0.00009 0.00000 0.00000 0.00000 0.00003 4 2PY -0.00004 0.00000 0.00000 -0.00001 0.00000 5 2PZ 0.00000 0.00001 0.00002 0.00000 0.00000 6 3S -0.00064 0.00000 0.00000 -0.00198 0.00031 7 3PX 0.00021 0.00000 0.00000 0.00013 -0.00019 8 3PY 0.00001 0.00000 0.00000 0.00023 -0.00012 9 3PZ 0.00000 0.00007 -0.00017 0.00000 0.00000 10 4S -0.00349 0.00000 0.00000 0.00904 0.00031 11 4PX 0.00117 0.00000 0.00000 -0.00597 0.00102 12 4PY -0.00009 0.00000 0.00000 0.00428 -0.00184 13 4PZ 0.00000 0.00288 0.00056 0.00000 0.00000 14 5XX 0.00038 0.00000 0.00000 0.00017 0.00001 15 5YY 0.00038 0.00000 0.00000 0.00000 -0.00001 16 5ZZ 0.00025 0.00000 0.00000 0.00010 -0.00031 17 5XY 0.00033 0.00000 0.00000 0.00009 -0.00003 18 5XZ 0.00000 -0.00005 0.00010 0.00000 0.00000 19 5YZ 0.00000 0.00013 0.00005 0.00000 0.00000 20 2 Al 1S 0.00003 0.00000 0.00000 0.00001 0.00001 21 2S -0.00001 0.00000 0.00000 0.00027 0.00008 22 2PX -0.00021 0.00000 0.00000 0.00001 -0.00003 23 2PY -0.00017 0.00000 0.00000 -0.00001 -0.00001 24 2PZ 0.00000 0.00001 0.00002 0.00000 0.00000 25 3S 0.00324 0.00000 0.00000 0.00181 0.00086 26 3PX -0.00010 0.00000 0.00000 0.00007 0.00022 27 3PY 0.00010 0.00000 0.00000 0.00019 0.00018 28 3PZ 0.00000 -0.00019 -0.00003 0.00000 0.00000 29 4S 0.00684 0.00000 0.00000 -0.00875 -0.00230 30 4PX 0.00018 0.00000 0.00000 -0.00543 -0.00269 31 4PY -0.00226 0.00000 0.00000 0.00357 0.00299 32 4PZ 0.00000 -0.00109 0.00273 0.00000 0.00000 33 5XX -0.00176 0.00000 0.00000 -0.00016 -0.00004 34 5YY -0.00136 0.00000 0.00000 0.00000 -0.00001 35 5ZZ -0.00074 0.00000 0.00000 0.00000 -0.00033 36 5XY -0.00112 0.00000 0.00000 -0.00007 -0.00005 37 5XZ 0.00000 -0.00011 -0.00001 0.00000 0.00000 38 5YZ 0.00000 0.00003 -0.00013 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 40 2S -0.00004 0.00000 0.00000 -0.00005 0.00004 41 2PX 0.00000 0.00000 0.00000 0.00005 -0.00004 42 2PY -0.00001 0.00000 0.00000 -0.00003 0.00002 43 2PZ 0.00000 -0.00007 -0.00003 0.00000 0.00000 44 3S -0.00011 0.00000 0.00000 -0.00020 0.00015 45 3PX 0.00000 0.00000 0.00000 -0.00022 0.00016 46 3PY 0.00002 0.00000 0.00000 0.00011 -0.00008 47 3PZ 0.00000 0.00028 0.00010 0.00000 0.00000 48 4S 0.00095 0.00000 0.00000 0.00114 -0.00124 49 4PX -0.00008 0.00000 0.00000 0.00099 -0.00048 50 4PY 0.00025 0.00000 0.00000 -0.00008 -0.00008 51 4PZ 0.00000 -0.00093 -0.00027 0.00000 0.00000 52 5XX -0.00008 0.00000 0.00000 -0.00009 0.00008 53 5YY -0.00005 0.00000 0.00000 -0.00006 0.00005 54 5ZZ -0.00004 0.00000 0.00000 -0.00011 0.00005 55 5XY 0.00001 0.00000 0.00000 0.00006 -0.00003 56 5XZ 0.00000 0.00000 0.00001 0.00000 0.00000 57 5YZ 0.00000 -0.00005 -0.00001 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00001 59 2S 0.00005 0.00000 0.00000 0.00003 0.00005 60 2PX -0.00002 0.00000 0.00000 0.00004 0.00005 61 2PY -0.00002 0.00000 0.00000 -0.00002 -0.00003 62 2PZ 0.00000 0.00001 -0.00007 0.00000 0.00000 63 3S 0.00012 0.00000 0.00000 0.00014 0.00020 64 3PX 0.00006 0.00000 0.00000 -0.00017 -0.00022 65 3PY 0.00004 0.00000 0.00000 0.00008 0.00011 66 3PZ 0.00000 -0.00007 0.00029 0.00000 0.00000 67 4S -0.00110 0.00000 0.00000 -0.00074 -0.00151 68 4PX 0.00001 0.00000 0.00000 0.00081 0.00075 69 4PY 0.00060 0.00000 0.00000 -0.00010 0.00005 70 4PZ 0.00000 0.00027 -0.00093 0.00000 0.00000 71 5XX 0.00012 0.00000 0.00000 0.00006 0.00010 72 5YY 0.00002 0.00000 0.00000 0.00004 0.00006 73 5ZZ 0.00005 0.00000 0.00000 0.00009 0.00008 74 5XY -0.00008 0.00000 0.00000 -0.00005 -0.00004 75 5XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 76 5YZ 0.00000 -0.00002 0.00005 0.00000 0.00000 77 5 Br 1S 0.00016 0.00000 0.00000 0.00000 0.00000 78 2S -0.00106 0.00000 0.00000 0.00004 -0.00003 79 3S 0.00135 0.00000 0.00000 -0.00016 0.00010 80 4S 0.00115 0.00000 0.00000 0.00004 -0.00002 81 5S -0.00058 0.00000 0.00000 0.00121 -0.00049 82 6S 0.00328 0.00000 0.00000 -0.00368 0.00151 83 7PX -0.08571 0.00005 0.00002 0.21426 -0.15944 84 7PY -0.06748 -0.00005 -0.00002 -0.27208 0.20242 85 7PZ 0.00000 -0.41420 -0.12160 0.00006 -0.00004 86 8PX 0.21033 -0.00013 -0.00004 -0.52586 0.39131 87 8PY 0.16561 0.00013 0.00004 0.66776 -0.49681 88 8PZ 0.00000 1.01658 0.29844 -0.00015 0.00011 89 9PX 0.00566 0.00000 0.00000 -0.01372 0.01008 90 9PY 0.00439 0.00000 0.00000 0.01714 -0.01265 91 9PZ 0.00000 0.02585 0.00757 0.00000 0.00000 92 10PX -0.00180 0.00000 0.00000 0.00502 -0.00311 93 10PY -0.00121 0.00000 0.00000 -0.00497 0.00349 94 10PZ 0.00000 -0.00709 -0.00202 0.00000 0.00000 95 11XX -0.00089 0.00000 0.00000 0.00119 -0.00087 96 11YY -0.00072 0.00000 0.00000 -0.00098 0.00073 97 11ZZ -0.00046 0.00000 0.00000 0.00011 -0.00007 98 11XY -0.00039 0.00000 0.00000 -0.00029 0.00022 99 11XZ 0.00000 -0.00118 -0.00035 0.00000 0.00000 100 11YZ 0.00000 -0.00093 -0.00027 0.00000 0.00000 101 12XX -0.00097 0.00000 0.00000 0.00034 -0.00014 102 12YY -0.00098 0.00000 0.00000 0.00103 -0.00051 103 12ZZ -0.00091 0.00000 0.00000 0.00070 -0.00038 104 12XY -0.00007 0.00000 0.00000 -0.00003 -0.00002 105 12XZ 0.00000 0.00018 0.00006 0.00000 0.00000 106 12YZ 0.00000 0.00015 0.00003 0.00000 0.00000 107 6 Br 1S -0.00060 0.00000 0.00000 0.00000 0.00000 108 2S 0.00413 0.00000 0.00000 -0.00003 -0.00004 109 3S -0.00544 0.00000 0.00000 0.00012 0.00014 110 4S -0.00432 0.00000 0.00000 -0.00003 -0.00003 111 5S 0.00364 0.00000 0.00000 -0.00102 -0.00082 112 6S -0.01725 0.00000 0.00000 0.00309 0.00251 113 7PX -0.32798 -0.00001 0.00005 0.15943 0.21432 114 7PY -0.25838 0.00001 -0.00004 -0.20241 -0.27205 115 7PZ -0.00001 0.12160 -0.41420 0.00004 0.00005 116 8PX 0.80485 0.00003 -0.00011 -0.39128 -0.52600 117 8PY 0.63407 -0.00003 0.00011 0.49678 0.66768 118 8PZ 0.00002 -0.29843 1.01658 -0.00010 -0.00013 119 9PX 0.02172 0.00000 0.00000 -0.01025 -0.01360 120 9PY 0.01692 0.00000 0.00000 0.01278 0.01704 121 9PZ 0.00000 -0.00761 0.02584 0.00000 0.00000 122 10PX -0.00713 0.00000 0.00000 0.00392 0.00443 123 10PY -0.00505 0.00000 0.00000 -0.00375 -0.00477 124 10PZ 0.00000 0.00213 -0.00705 0.00000 0.00000 125 11XX 0.00361 0.00000 0.00000 -0.00089 -0.00117 126 11YY 0.00297 0.00000 0.00000 0.00073 0.00098 127 11ZZ 0.00196 0.00000 0.00000 -0.00009 -0.00009 128 11XY 0.00149 0.00000 0.00000 0.00021 0.00029 129 11XZ 0.00000 -0.00035 0.00118 0.00000 0.00000 130 11YZ 0.00000 -0.00027 0.00092 0.00000 0.00000 131 12XX 0.00468 0.00000 0.00000 -0.00029 -0.00023 132 12YY 0.00474 0.00000 0.00000 -0.00084 -0.00078 133 12ZZ 0.00453 0.00000 0.00000 -0.00056 -0.00056 134 12XY 0.00019 0.00000 0.00000 0.00003 -0.00001 135 12XZ 0.00000 0.00005 -0.00018 0.00000 0.00000 136 12YZ 0.00000 0.00006 -0.00015 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 138 2S 0.00003 0.00002 0.00004 0.00002 -0.00010 139 2PX -0.00001 0.00000 0.00000 -0.00004 -0.00001 140 2PY -0.00003 0.00005 -0.00003 0.00001 0.00000 141 2PZ -0.00003 -0.00002 -0.00004 0.00000 0.00000 142 3S 0.00011 0.00009 0.00016 0.00005 -0.00034 143 3PX 0.00001 0.00003 -0.00002 0.00023 0.00003 144 3PY 0.00010 -0.00021 0.00011 -0.00005 -0.00001 145 3PZ 0.00010 0.00010 0.00018 0.00000 0.00002 146 4S -0.00095 -0.00071 -0.00129 -0.00040 0.00271 147 4PX 0.00096 -0.00058 0.00031 -0.00172 -0.00025 148 4PY -0.00038 0.00061 -0.00033 0.00020 0.00003 149 4PZ 0.00009 -0.00021 -0.00039 0.00010 -0.00070 150 5XX 0.00000 0.00002 0.00004 0.00002 -0.00016 151 5YY 0.00005 0.00002 0.00003 0.00002 -0.00016 152 5ZZ 0.00002 0.00005 0.00009 0.00002 -0.00011 153 5XY 0.00000 0.00001 0.00002 -0.00001 0.00004 154 5XZ -0.00008 0.00001 -0.00001 0.00007 0.00001 155 5YZ 0.00000 -0.00001 0.00001 0.00001 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 157 2S 0.00003 -0.00002 -0.00004 0.00002 -0.00010 158 2PX -0.00001 0.00000 0.00000 -0.00004 -0.00001 159 2PY -0.00003 -0.00005 0.00003 0.00001 0.00000 160 2PZ 0.00003 -0.00002 -0.00004 0.00000 0.00000 161 3S 0.00011 -0.00009 -0.00016 0.00005 -0.00034 162 3PX 0.00001 -0.00003 0.00002 0.00023 0.00003 163 3PY 0.00010 0.00021 -0.00011 -0.00005 -0.00001 164 3PZ -0.00010 0.00010 0.00018 0.00000 -0.00002 165 4S -0.00095 0.00071 0.00129 -0.00040 0.00271 166 4PX 0.00096 0.00058 -0.00031 -0.00172 -0.00025 167 4PY -0.00038 -0.00061 0.00033 0.00020 0.00003 168 4PZ -0.00009 -0.00021 -0.00039 -0.00010 0.00070 169 5XX 0.00000 -0.00002 -0.00004 0.00002 -0.00016 170 5YY 0.00005 -0.00002 -0.00003 0.00002 -0.00016 171 5ZZ 0.00002 -0.00005 -0.00009 0.00002 -0.00011 172 5XY 0.00000 -0.00001 -0.00002 -0.00001 0.00004 173 5XZ 0.00008 0.00001 -0.00001 -0.00007 -0.00001 174 5YZ 0.00000 -0.00001 0.00001 -0.00001 0.00000 41 42 43 44 45 O O O O O Eigenvalues -- -4.24705 -4.24704 -2.80158 -2.80158 -2.80080 1 1 Al 1S -0.22396 -0.13516 0.00000 0.00000 -0.00096 2 2S 0.87631 0.52890 0.00000 0.00000 0.00368 3 2PX -0.00349 -0.00210 -0.00023 -0.00010 0.66937 4 2PY 0.00162 0.00097 0.00009 0.00004 -0.24803 5 2PZ 0.00000 0.00000 0.89125 0.43688 0.00020 6 3S 0.06004 0.03604 0.00000 0.00000 -0.00347 7 3PX -0.00065 -0.00118 -0.00001 0.00000 0.02379 8 3PY 0.00025 0.00044 0.00000 0.00000 -0.00880 9 3PZ 0.00000 0.00000 0.02817 0.01407 0.00001 10 4S -0.01005 -0.00299 0.00000 0.00000 -0.00010 11 4PX 0.00217 -0.00103 0.00000 0.00000 -0.00441 12 4PY -0.00067 0.00035 0.00000 0.00000 0.00191 13 4PZ 0.00000 0.00000 -0.00546 -0.00350 0.00000 14 5XX -0.01436 -0.00854 0.00000 0.00000 0.00034 15 5YY -0.01458 -0.00864 0.00000 0.00000 0.00238 16 5ZZ -0.01521 -0.00878 0.00000 0.00000 -0.00048 17 5XY 0.00001 0.00002 0.00000 0.00000 0.00145 18 5XZ 0.00000 0.00000 -0.00217 -0.00137 0.00000 19 5YZ 0.00000 0.00000 0.00103 0.00062 0.00000 20 2 Al 1S 0.13516 -0.22397 0.00000 0.00000 -0.00093 21 2S -0.52881 0.87636 0.00000 0.00000 0.00354 22 2PX -0.00211 0.00348 0.00013 -0.00024 -0.64604 23 2PY 0.00098 -0.00162 -0.00005 0.00010 0.23935 24 2PZ 0.00000 0.00000 -0.43688 0.89125 -0.00021 25 3S -0.03633 0.05987 0.00000 0.00000 -0.00342 26 3PX -0.00002 0.00135 0.00000 -0.00001 -0.02301 27 3PY 0.00001 -0.00050 0.00000 0.00000 0.00851 28 3PZ 0.00000 0.00000 -0.01365 0.02838 -0.00001 29 4S 0.00750 -0.00733 0.00000 0.00000 -0.00009 30 4PX 0.00240 -0.00010 0.00000 0.00000 0.00426 31 4PY -0.00075 0.00000 0.00000 0.00000 -0.00185 32 4PZ 0.00000 0.00000 0.00217 -0.00611 0.00000 33 5XX 0.00873 -0.01425 0.00000 0.00000 0.00035 34 5YY 0.00887 -0.01443 0.00000 0.00000 0.00230 35 5ZZ 0.00936 -0.01486 0.00000 0.00000 -0.00048 36 5XY 0.00000 0.00002 0.00000 0.00000 0.00138 37 5XZ 0.00000 0.00000 -0.00087 0.00241 0.00000 38 5YZ 0.00000 0.00000 0.00043 -0.00112 0.00000 39 3 Cl 1S 0.00004 0.00002 0.00000 0.00000 0.00009 40 2S -0.00010 -0.00008 0.00000 0.00000 -0.00033 41 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 42 2PY -0.00034 -0.00019 0.00000 0.00000 -0.00043 43 2PZ 0.00000 0.00000 -0.00011 -0.00003 0.00000 44 3S -0.00009 -0.00015 0.00000 0.00000 0.00054 45 3PX 0.00004 0.00003 0.00000 0.00000 -0.00017 46 3PY 0.00063 0.00029 0.00000 0.00000 0.00063 47 3PZ 0.00000 0.00000 0.00011 -0.00005 0.00000 48 4S -0.00255 -0.00122 0.00000 0.00000 -0.00195 49 4PX -0.00009 0.00020 0.00000 0.00000 0.00003 50 4PY -0.00260 -0.00137 0.00000 0.00000 -0.00219 51 4PZ 0.00000 0.00000 -0.00079 -0.00005 0.00000 52 5XX 0.00016 0.00005 0.00000 0.00000 0.00004 53 5YY 0.00073 0.00039 0.00000 0.00000 0.00033 54 5ZZ 0.00019 0.00003 0.00000 0.00000 0.00005 55 5XY -0.00007 -0.00001 0.00000 0.00000 -0.00015 56 5XZ 0.00000 0.00000 0.00002 0.00001 0.00000 57 5YZ 0.00000 0.00000 -0.00016 -0.00006 0.00000 58 4 Cl 1S -0.00003 0.00004 0.00000 0.00000 0.00009 59 2S 0.00005 -0.00012 0.00000 0.00000 -0.00032 60 2PX 0.00001 -0.00001 0.00000 0.00000 0.00000 61 2PY -0.00021 0.00032 0.00000 0.00000 0.00042 62 2PZ 0.00000 0.00000 0.00007 -0.00009 0.00000 63 3S 0.00001 -0.00018 0.00000 0.00000 0.00053 64 3PX 0.00002 -0.00005 0.00000 0.00000 0.00017 65 3PY 0.00042 -0.00055 0.00000 0.00000 -0.00062 66 3PZ 0.00000 0.00000 -0.00012 0.00003 0.00000 67 4S 0.00169 -0.00227 0.00000 0.00000 -0.00192 68 4PX -0.00017 -0.00014 0.00000 0.00000 -0.00006 69 4PY -0.00166 0.00243 0.00000 0.00000 0.00214 70 4PZ 0.00000 0.00000 0.00059 -0.00052 0.00000 71 5XX -0.00012 0.00012 0.00000 0.00000 0.00004 72 5YY -0.00047 0.00069 0.00000 0.00000 0.00032 73 5ZZ -0.00015 0.00011 0.00000 0.00000 0.00005 74 5XY 0.00006 -0.00004 0.00000 0.00000 -0.00014 75 5XZ 0.00000 0.00000 0.00002 -0.00002 0.00000 76 5YZ 0.00000 0.00000 -0.00009 0.00014 0.00000 77 5 Br 1S -0.00002 -0.00002 0.00000 0.00000 -0.00004 78 2S 0.00012 0.00003 0.00000 0.00000 0.00033 79 3S -0.00018 0.00007 0.00000 0.00000 -0.00049 80 4S 0.00000 -0.00006 0.00000 0.00000 -0.00040 81 5S 0.00191 0.00047 0.00000 0.00000 0.00180 82 6S -0.00588 -0.00130 0.00000 0.00000 -0.00515 83 7PX -0.00010 -0.00005 0.00000 0.00000 -0.00013 84 7PY -0.00008 -0.00005 0.00000 0.00000 -0.00013 85 7PZ 0.00000 0.00000 0.00004 0.00001 0.00000 86 8PX 0.00028 0.00015 0.00000 0.00000 0.00039 87 8PY 0.00025 0.00013 0.00000 0.00000 0.00035 88 8PZ 0.00000 0.00000 -0.00011 -0.00003 0.00000 89 9PX -0.00037 -0.00012 0.00000 0.00000 -0.00055 90 9PY -0.00041 -0.00015 0.00000 0.00000 -0.00026 91 9PZ 0.00000 0.00000 0.00011 -0.00006 0.00000 92 10PX 0.00194 0.00111 0.00000 0.00000 0.00198 93 10PY 0.00192 0.00077 0.00000 0.00000 0.00166 94 10PZ 0.00000 0.00000 -0.00072 -0.00002 0.00000 95 11XX 0.00011 -0.00006 0.00000 0.00000 0.00084 96 11YY 0.00006 -0.00010 0.00000 0.00000 0.00140 97 11ZZ -0.00003 -0.00013 0.00000 0.00000 -0.00152 98 11XY 0.00011 0.00007 0.00000 0.00000 0.00320 99 11XZ 0.00000 0.00000 -0.00119 -0.00058 0.00000 100 11YZ 0.00000 0.00000 -0.00094 -0.00046 0.00000 101 12XX 0.00101 -0.00001 0.00000 0.00000 0.00124 102 12YY 0.00102 0.00012 0.00000 0.00000 0.00052 103 12ZZ 0.00118 0.00003 0.00000 0.00000 0.00110 104 12XY -0.00008 -0.00005 0.00000 0.00000 -0.00025 105 12XZ 0.00000 0.00000 0.00061 0.00023 0.00000 106 12YZ 0.00000 0.00000 0.00047 0.00019 0.00000 107 6 Br 1S 0.00001 -0.00003 0.00000 0.00000 -0.00004 108 2S -0.00009 0.00009 0.00000 0.00000 0.00032 109 3S 0.00019 -0.00002 0.00000 0.00000 -0.00049 110 4S -0.00002 -0.00005 0.00000 0.00000 -0.00038 111 5S -0.00147 0.00131 0.00000 0.00000 0.00180 112 6S 0.00460 -0.00389 0.00000 0.00000 -0.00514 113 7PX -0.00006 0.00009 0.00000 0.00000 0.00013 114 7PY -0.00005 0.00008 0.00000 0.00000 0.00012 115 7PZ 0.00000 0.00000 -0.00002 0.00003 0.00000 116 8PX 0.00018 -0.00026 0.00000 0.00000 -0.00038 117 8PY 0.00016 -0.00023 0.00000 0.00000 -0.00034 118 8PZ 0.00000 0.00000 0.00007 -0.00009 0.00000 119 9PX -0.00027 0.00028 0.00000 0.00000 0.00055 120 9PY -0.00029 0.00032 0.00000 0.00000 0.00025 121 9PZ 0.00000 0.00000 -0.00012 0.00002 0.00000 122 10PX 0.00120 -0.00188 0.00000 0.00000 -0.00195 123 10PY 0.00134 -0.00158 0.00000 0.00000 -0.00160 124 10PZ 0.00000 0.00000 0.00056 -0.00045 0.00000 125 11XX -0.00012 0.00000 0.00000 0.00000 0.00081 126 11YY -0.00010 -0.00005 0.00000 0.00000 0.00136 127 11ZZ -0.00004 -0.00013 0.00000 0.00000 -0.00146 128 11XY -0.00007 0.00011 0.00000 0.00000 0.00308 129 11XZ 0.00000 0.00000 -0.00058 0.00118 0.00000 130 11YZ 0.00000 0.00000 -0.00046 0.00094 0.00000 131 12XX -0.00089 0.00046 0.00000 0.00000 0.00123 132 12YY -0.00085 0.00058 0.00000 0.00000 0.00054 133 12ZZ -0.00103 0.00057 0.00000 0.00000 0.00111 134 12XY 0.00005 -0.00008 0.00000 0.00000 -0.00024 135 12XZ 0.00000 0.00000 0.00034 -0.00055 0.00000 136 12YZ 0.00000 0.00000 0.00025 -0.00044 0.00000 137 7 Cl 1S 0.00001 0.00004 0.00004 0.00012 -0.00014 138 2S 0.00002 0.00010 -0.00013 -0.00039 0.00033 139 2PX -0.00007 0.00002 -0.00035 0.00012 0.00000 140 2PY 0.00002 -0.00001 0.00014 -0.00005 0.00000 141 2PZ 0.00004 0.00016 0.00013 0.00037 -0.00043 142 3S 0.00018 0.00073 0.00045 0.00130 -0.00168 143 3PX -0.00017 0.00004 0.00040 -0.00014 0.00000 144 3PY 0.00010 -0.00002 -0.00015 0.00005 0.00000 145 3PZ -0.00008 -0.00031 -0.00019 -0.00055 0.00059 146 4S -0.00129 -0.00521 -0.00116 -0.00338 0.00538 147 4PX -0.00128 0.00032 -0.00342 0.00117 0.00003 148 4PY 0.00040 -0.00010 0.00133 -0.00045 -0.00001 149 4PZ 0.00087 0.00352 0.00118 0.00346 -0.00487 150 5XX 0.00008 0.00034 -0.00010 -0.00030 -0.00032 151 5YY 0.00011 0.00045 0.00003 0.00008 -0.00030 152 5ZZ 0.00007 0.00027 0.00005 0.00014 0.00026 153 5XY 0.00001 0.00006 0.00007 0.00020 0.00000 154 5XZ 0.00003 -0.00001 0.00017 -0.00006 0.00000 155 5YZ -0.00001 0.00000 -0.00006 0.00002 0.00000 156 8 Cl 1S 0.00001 0.00004 -0.00004 -0.00012 -0.00014 157 2S 0.00002 0.00010 0.00013 0.00039 0.00033 158 2PX -0.00007 0.00002 0.00035 -0.00012 0.00000 159 2PY 0.00002 -0.00001 -0.00014 0.00005 0.00000 160 2PZ -0.00004 -0.00016 0.00013 0.00037 0.00043 161 3S 0.00018 0.00073 -0.00044 -0.00130 -0.00168 162 3PX -0.00017 0.00004 -0.00040 0.00014 0.00000 163 3PY 0.00010 -0.00002 0.00015 -0.00005 0.00000 164 3PZ 0.00008 0.00031 -0.00019 -0.00055 -0.00059 165 4S -0.00129 -0.00521 0.00116 0.00339 0.00538 166 4PX -0.00128 0.00032 0.00342 -0.00117 0.00003 167 4PY 0.00040 -0.00010 -0.00133 0.00045 -0.00001 168 4PZ -0.00087 -0.00352 0.00118 0.00346 0.00487 169 5XX 0.00008 0.00034 0.00010 0.00030 -0.00032 170 5YY 0.00011 0.00045 -0.00003 -0.00008 -0.00030 171 5ZZ 0.00007 0.00027 -0.00005 -0.00014 0.00026 172 5XY 0.00001 0.00006 -0.00007 -0.00020 0.00000 173 5XZ -0.00003 0.00001 0.00017 -0.00006 0.00000 174 5YZ 0.00001 0.00000 -0.00006 0.00002 0.00000 46 47 48 49 50 O O O O O Eigenvalues -- -2.80077 -2.79891 -2.79890 -2.66575 -2.66575 1 1 Al 1S -0.00091 0.00007 0.00006 0.00023 -0.00001 2 2S 0.00386 -0.00033 -0.00029 -0.00131 -0.00001 3 2PX 0.64622 0.26009 0.22553 -0.00892 0.00028 4 2PY -0.23882 0.70209 0.61046 -0.00714 0.00021 5 2PZ 0.00018 -0.00001 -0.00001 0.00000 0.00000 6 3S -0.00127 -0.00041 -0.00028 -0.00368 -0.00010 7 3PX 0.02163 0.00906 0.00776 -0.00200 -0.00004 8 3PY -0.00794 0.02477 0.02111 -0.00154 0.00000 9 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 10 4S -0.00017 -0.00026 -0.00074 -0.00253 0.00151 11 4PX -0.00422 -0.00169 -0.00017 0.00130 -0.00069 12 4PY 0.00154 -0.00509 -0.00208 -0.00010 0.00029 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5XX -0.00027 0.00104 0.00094 0.00081 0.00000 15 5YY 0.00230 -0.00086 -0.00089 0.00078 -0.00004 16 5ZZ 0.00023 0.00007 0.00004 0.00068 -0.00004 17 5XY 0.00172 0.00110 0.00104 0.00019 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 0.00094 0.00006 -0.00007 0.00001 0.00023 21 2S -0.00399 -0.00028 0.00033 -0.00008 -0.00131 22 2PX 0.66958 -0.22607 0.25951 0.00022 0.00892 23 2PY -0.24741 -0.61018 0.70237 0.00019 0.00714 24 2PZ 0.00021 0.00000 -0.00001 0.00000 0.00000 25 3S 0.00139 -0.00037 0.00033 -0.00030 -0.00367 26 3PX 0.02246 -0.00789 0.00894 0.00015 0.00199 27 3PY -0.00824 -0.02158 0.02436 0.00009 0.00154 28 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 29 4S 0.00017 -0.00015 0.00077 0.00137 -0.00261 30 4PX -0.00438 0.00165 -0.00040 0.00061 -0.00133 31 4PY 0.00161 0.00475 -0.00277 -0.00029 0.00012 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX 0.00025 0.00090 -0.00107 0.00005 0.00081 34 5YY -0.00238 -0.00073 0.00100 0.00001 0.00078 35 5ZZ -0.00021 0.00007 -0.00005 0.00000 0.00068 36 5XY -0.00177 0.00095 -0.00118 0.00001 0.00019 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 Cl 1S 0.00007 -0.00018 -0.00016 0.00000 0.00000 40 2S -0.00038 0.00075 0.00063 -0.00004 0.00001 41 2PX -0.00007 -0.00016 -0.00012 -0.00002 0.00000 42 2PY -0.00038 0.00090 0.00076 -0.00001 0.00000 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 44 3S 0.00021 -0.00074 -0.00074 -0.00010 0.00002 45 3PX 0.00019 0.00032 0.00016 0.00010 -0.00002 46 3PY 0.00039 -0.00130 -0.00100 0.00000 0.00000 47 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 4S -0.00078 0.00346 0.00401 0.00077 -0.00019 49 4PX -0.00073 -0.00107 -0.00076 -0.00015 0.00010 50 4PY -0.00147 0.00397 0.00326 0.00020 -0.00007 51 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 52 5XX -0.00009 0.00006 0.00003 -0.00008 0.00001 53 5YY 0.00019 -0.00095 -0.00086 -0.00006 0.00001 54 5ZZ -0.00013 0.00005 0.00005 -0.00006 0.00001 55 5XY -0.00013 0.00004 0.00005 0.00006 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S -0.00008 -0.00016 0.00018 0.00000 0.00000 59 2S 0.00039 0.00065 -0.00073 0.00001 -0.00005 60 2PX -0.00007 0.00014 -0.00014 0.00000 0.00002 61 2PY -0.00039 -0.00079 0.00088 0.00000 0.00001 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S -0.00022 -0.00063 0.00084 0.00002 -0.00010 64 3PX 0.00018 -0.00029 0.00020 0.00001 -0.00010 65 3PY 0.00042 0.00115 -0.00118 0.00000 0.00000 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00085 0.00286 -0.00445 -0.00014 0.00078 68 4PX -0.00073 0.00096 -0.00091 -0.00009 0.00016 69 4PY -0.00155 -0.00348 0.00378 0.00006 -0.00020 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00009 0.00005 -0.00004 0.00001 -0.00008 72 5YY -0.00020 -0.00082 0.00098 0.00001 -0.00006 73 5ZZ 0.00013 0.00004 -0.00006 0.00001 -0.00006 74 5XY 0.00014 0.00003 -0.00006 0.00001 0.00006 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S -0.00005 -0.00008 -0.00007 -0.00030 0.00001 78 2S 0.00025 0.00052 0.00046 0.00186 -0.00005 79 3S -0.00017 -0.00062 -0.00056 -0.00209 0.00006 80 4S -0.00052 -0.00074 -0.00063 -0.00315 0.00009 81 5S 0.00012 0.00184 0.00209 -0.00134 0.00007 82 6S -0.00005 -0.00515 -0.00622 0.00814 -0.00033 83 7PX -0.00010 -0.00026 -0.00022 -0.00076 0.00002 84 7PY -0.00012 -0.00018 -0.00015 -0.00061 0.00002 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00027 0.00075 0.00062 0.00201 -0.00006 87 8PY 0.00035 0.00051 0.00044 0.00163 -0.00005 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 -0.00077 -0.00050 -0.00044 0.00001 90 9PY -0.00029 -0.00042 -0.00037 -0.00046 0.00002 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00073 0.00315 0.00254 -0.00292 0.00014 93 10PY 0.00156 0.00182 0.00162 -0.00204 0.00003 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00062 0.00339 0.00295 0.42383 -0.01186 96 11YY 0.00115 0.00019 0.00017 0.08874 -0.00247 97 11ZZ -0.00166 -0.00281 -0.00243 -0.50984 0.01424 98 11XY 0.00309 0.00501 0.00435 0.83142 -0.02329 99 11XZ 0.00000 0.00000 0.00000 0.00003 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00002 0.00000 101 12XX 0.00009 0.00046 0.00071 0.00862 -0.00024 102 12YY -0.00074 0.00116 0.00118 0.00059 0.00000 103 12ZZ -0.00032 0.00085 0.00085 -0.01354 0.00036 104 12XY -0.00024 0.00010 0.00014 0.01975 -0.00055 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00005 -0.00007 0.00008 -0.00001 -0.00030 108 2S -0.00026 0.00045 -0.00052 0.00005 0.00186 109 3S 0.00019 -0.00054 0.00064 -0.00005 -0.00209 110 4S 0.00053 -0.00064 0.00073 -0.00009 -0.00315 111 5S -0.00019 0.00153 -0.00233 -0.00001 -0.00135 112 6S 0.00023 -0.00423 0.00688 0.00013 0.00815 113 7PX -0.00010 0.00023 -0.00025 0.00002 0.00076 114 7PY -0.00013 0.00015 -0.00018 0.00002 0.00061 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00029 -0.00065 0.00071 -0.00006 -0.00201 117 8PY 0.00037 -0.00044 0.00051 -0.00004 -0.00163 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX -0.00002 0.00069 -0.00061 0.00001 0.00044 120 9PY -0.00030 0.00037 -0.00042 0.00001 0.00046 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00080 -0.00277 0.00296 0.00003 0.00292 123 10PY 0.00162 -0.00158 0.00185 0.00008 0.00204 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX -0.00065 0.00294 -0.00339 0.01186 0.42366 126 11YY -0.00119 0.00016 -0.00020 0.00251 0.08891 127 11ZZ 0.00171 -0.00245 0.00280 -0.01430 -0.50983 128 11XY -0.00320 0.00436 -0.00501 0.02326 0.83147 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00003 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00002 131 12XX -0.00014 0.00035 -0.00077 0.00025 0.00861 132 12YY 0.00072 0.00099 -0.00133 0.00003 0.00059 133 12ZZ 0.00028 0.00073 -0.00096 -0.00040 -0.01354 134 12XY 0.00025 0.00008 -0.00015 0.00055 0.01975 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 -0.00001 -0.00001 0.00000 -0.00003 -0.00003 139 2PX 0.00023 0.00000 -0.00005 0.00000 0.00000 140 2PY -0.00009 -0.00001 -0.00011 -0.00001 0.00001 141 2PZ 0.00001 0.00001 0.00000 0.00001 0.00001 142 3S 0.00003 0.00003 0.00000 -0.00006 -0.00005 143 3PX 0.00017 0.00001 0.00014 0.00000 0.00000 144 3PY -0.00006 0.00003 0.00039 0.00007 -0.00008 145 3PZ -0.00001 -0.00004 0.00000 -0.00005 -0.00005 146 4S -0.00010 0.00006 0.00000 0.00061 0.00058 147 4PX 0.00155 -0.00005 -0.00073 0.00040 -0.00042 148 4PY -0.00065 -0.00014 -0.00207 -0.00022 0.00023 149 4PZ 0.00009 0.00011 -0.00001 -0.00007 -0.00007 150 5XX 0.00001 -0.00019 0.00001 0.00000 0.00000 151 5YY 0.00001 0.00020 -0.00001 -0.00005 -0.00005 152 5ZZ 0.00000 0.00000 0.00000 -0.00004 -0.00004 153 5XY 0.00000 -0.00024 0.00002 0.00001 0.00001 154 5XZ -0.00013 0.00001 0.00015 -0.00004 0.00004 155 5YZ 0.00006 0.00003 0.00037 -0.00002 0.00002 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00001 -0.00001 0.00000 -0.00003 -0.00003 158 2PX 0.00023 0.00000 -0.00005 0.00000 0.00000 159 2PY -0.00009 -0.00001 -0.00011 -0.00001 0.00001 160 2PZ -0.00001 -0.00001 0.00000 -0.00001 -0.00001 161 3S 0.00003 0.00003 0.00000 -0.00006 -0.00005 162 3PX 0.00017 0.00001 0.00014 0.00000 0.00000 163 3PY -0.00006 0.00003 0.00039 0.00007 -0.00008 164 3PZ 0.00001 0.00004 0.00000 0.00005 0.00005 165 4S -0.00009 0.00006 0.00000 0.00061 0.00058 166 4PX 0.00155 -0.00005 -0.00073 0.00040 -0.00042 167 4PY -0.00065 -0.00014 -0.00207 -0.00022 0.00023 168 4PZ -0.00009 -0.00011 0.00001 0.00007 0.00007 169 5XX 0.00001 -0.00019 0.00001 0.00000 0.00000 170 5YY 0.00001 0.00020 -0.00001 -0.00005 -0.00005 171 5ZZ 0.00000 0.00000 0.00000 -0.00004 -0.00004 172 5XY 0.00000 -0.00024 0.00002 0.00001 0.00001 173 5XZ 0.00013 -0.00001 -0.00015 0.00004 -0.00004 174 5YZ -0.00006 -0.00003 -0.00037 0.00002 -0.00002 51 52 53 54 55 O O O O O Eigenvalues -- -2.66378 -2.66378 -2.66358 -2.66358 -2.65830 1 1 Al 1S 0.00000 0.00000 0.00001 0.00000 0.00000 2 2S 0.00000 0.00000 0.00016 -0.00008 0.00000 3 2PX 0.00000 0.00000 0.00115 0.00019 0.00000 4 2PY 0.00000 0.00000 -0.00142 -0.00020 0.00000 5 2PZ 0.00187 -0.00012 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.00111 -0.00035 0.00000 7 3PX 0.00000 0.00000 0.00041 0.00008 0.00000 8 3PY 0.00000 0.00000 -0.00082 -0.00015 0.00000 9 3PZ 0.00074 0.00006 0.00000 0.00000 0.00014 10 4S 0.00000 0.00000 -0.00439 0.00246 0.00000 11 4PX 0.00000 0.00000 0.00313 -0.00118 0.00000 12 4PY 0.00000 0.00000 -0.00268 -0.00004 0.00000 13 4PZ 0.00149 0.00008 0.00000 0.00000 0.00031 14 5XX 0.00000 0.00000 0.00026 0.00003 0.00000 15 5YY 0.00000 0.00000 -0.00030 -0.00007 0.00000 16 5ZZ 0.00000 0.00000 -0.00018 -0.00019 0.00000 17 5XY 0.00000 0.00000 -0.00015 -0.00001 0.00000 18 5XZ 0.00028 -0.00006 0.00000 0.00000 0.00005 19 5YZ 0.00039 -0.00003 0.00000 0.00000 -0.00009 20 2 Al 1S 0.00000 0.00000 0.00000 0.00001 0.00000 21 2S 0.00000 0.00000 -0.00012 0.00013 0.00000 22 2PX 0.00000 0.00000 0.00014 -0.00116 0.00000 23 2PY 0.00000 0.00000 -0.00021 0.00142 0.00000 24 2PZ -0.00009 -0.00187 0.00000 0.00000 -0.00001 25 3S 0.00000 0.00000 -0.00065 0.00096 0.00000 26 3PX 0.00000 0.00000 0.00004 -0.00041 0.00000 27 3PY 0.00000 0.00000 -0.00009 0.00083 0.00000 28 3PZ -0.00014 -0.00073 0.00000 0.00000 0.00001 29 4S 0.00000 0.00000 0.00362 -0.00350 0.00000 30 4PX 0.00000 0.00000 0.00203 -0.00266 0.00000 31 4PY 0.00000 0.00000 -0.00073 0.00258 0.00000 32 4PZ -0.00024 -0.00148 0.00000 0.00000 -0.00030 33 5XX 0.00000 0.00000 -0.00004 0.00026 0.00000 34 5YY 0.00000 0.00000 0.00002 -0.00031 0.00000 35 5ZZ 0.00000 0.00000 -0.00013 -0.00022 0.00000 36 5XY 0.00000 0.00000 0.00003 -0.00015 0.00000 37 5XZ -0.00003 0.00028 0.00000 0.00000 0.00001 38 5YZ 0.00002 0.00039 0.00000 0.00000 0.00002 39 3 Cl 1S 0.00000 0.00000 0.00001 0.00000 0.00000 40 2S 0.00000 0.00000 0.00006 0.00002 0.00000 41 2PX 0.00000 0.00000 -0.00002 0.00000 0.00000 42 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 43 2PZ -0.00003 0.00000 0.00000 0.00000 0.00000 44 3S 0.00000 0.00000 0.00020 0.00007 0.00000 45 3PX 0.00000 0.00000 0.00014 0.00001 0.00000 46 3PY 0.00000 0.00000 -0.00003 0.00000 0.00000 47 3PZ 0.00018 -0.00002 0.00000 0.00000 0.00001 48 4S 0.00000 0.00000 -0.00131 -0.00057 0.00000 49 4PX 0.00000 0.00000 -0.00066 0.00004 0.00000 50 4PY 0.00000 0.00000 -0.00026 -0.00015 0.00000 51 4PZ -0.00057 0.00003 0.00000 0.00000 -0.00010 52 5XX 0.00000 0.00000 0.00011 0.00004 0.00000 53 5YY 0.00000 0.00000 0.00006 0.00003 0.00000 54 5ZZ 0.00000 0.00000 0.00012 0.00002 0.00000 55 5XY 0.00000 0.00000 -0.00006 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ -0.00003 0.00000 0.00000 0.00000 -0.00002 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00001 0.00000 59 2S 0.00000 0.00000 0.00000 0.00006 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00002 0.00000 61 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 62 2PZ 0.00000 0.00003 0.00000 0.00000 0.00001 63 3S 0.00000 0.00000 0.00001 0.00022 0.00000 64 3PX 0.00000 0.00000 0.00003 -0.00013 0.00000 65 3PY 0.00000 0.00000 -0.00001 0.00003 0.00000 66 3PZ 0.00000 -0.00018 0.00000 0.00000 -0.00003 67 4S 0.00000 0.00000 -0.00017 -0.00142 0.00000 68 4PX 0.00000 0.00000 -0.00023 0.00062 0.00000 69 4PY 0.00000 0.00000 0.00007 0.00029 0.00000 70 4PZ 0.00004 0.00057 0.00000 0.00000 0.00010 71 5XX 0.00000 0.00000 0.00000 0.00012 0.00000 72 5YY 0.00000 0.00000 0.00001 0.00007 0.00000 73 5ZZ 0.00000 0.00000 -0.00001 0.00012 0.00000 74 5XY 0.00000 0.00000 0.00002 -0.00006 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3S 0.00000 0.00000 0.00005 0.00002 0.00000 80 4S 0.00000 0.00000 -0.00007 -0.00001 0.00000 81 5S 0.00000 0.00000 -0.00079 -0.00011 0.00000 82 6S 0.00000 0.00000 0.00238 0.00034 0.00000 83 7PX 0.00000 0.00000 -0.00045 -0.00007 0.00000 84 7PY 0.00000 0.00000 0.00057 0.00009 0.00000 85 7PZ -0.00074 0.00004 0.00000 0.00000 0.00001 86 8PX 0.00000 0.00000 0.00118 0.00018 0.00000 87 8PY 0.00000 0.00000 -0.00149 -0.00022 0.00000 88 8PZ 0.00195 -0.00011 0.00000 0.00000 -0.00002 89 9PX 0.00000 0.00000 -0.00009 -0.00005 0.00000 90 9PY 0.00000 0.00000 0.00025 0.00008 0.00000 91 9PZ -0.00046 0.00003 0.00000 0.00000 0.00004 92 10PX 0.00000 0.00000 -0.00146 -0.00002 0.00000 93 10PY 0.00000 0.00000 0.00100 0.00004 0.00000 94 10PZ -0.00105 0.00002 0.00000 0.00000 -0.00008 95 11XX -0.00019 0.00001 0.83218 0.12179 0.00012 96 11YY 0.00016 -0.00001 -0.82851 -0.12122 0.00015 97 11ZZ 0.00003 0.00000 -0.00378 -0.00061 -0.00026 98 11XY 0.00003 0.00000 -0.22542 -0.03301 -0.00015 99 11XZ 0.78227 -0.04282 0.00017 0.00002 -0.61285 100 11YZ 0.61321 -0.03355 0.00011 0.00002 0.78181 101 12XX 0.00000 0.00000 0.01830 0.00264 0.00000 102 12YY 0.00000 0.00000 -0.01909 -0.00279 0.00000 103 12ZZ 0.00000 0.00000 -0.00055 -0.00012 -0.00001 104 12XY 0.00000 0.00000 -0.00501 -0.00074 0.00000 105 12XZ 0.01752 -0.00096 0.00000 0.00000 -0.01301 106 12YZ 0.01374 -0.00074 0.00000 0.00000 0.01663 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00006 0.00000 110 4S 0.00000 0.00000 0.00001 -0.00007 0.00000 111 5S 0.00000 0.00000 0.00012 -0.00078 0.00000 112 6S 0.00000 0.00000 -0.00036 0.00238 0.00000 113 7PX 0.00000 0.00000 -0.00006 0.00045 0.00000 114 7PY 0.00000 0.00000 0.00008 -0.00057 0.00000 115 7PZ 0.00004 0.00074 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00017 -0.00119 0.00000 117 8PY 0.00000 0.00000 -0.00021 0.00149 0.00000 118 8PZ -0.00010 -0.00195 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00002 0.00010 0.00000 120 9PY 0.00000 0.00000 0.00000 -0.00026 0.00000 121 9PZ 0.00002 0.00046 0.00000 0.00000 -0.00002 122 10PX 0.00000 0.00000 -0.00040 0.00140 0.00000 123 10PY 0.00000 0.00000 0.00025 -0.00097 0.00000 124 10PZ 0.00009 0.00105 0.00000 0.00000 0.00008 125 11XX -0.00001 -0.00018 -0.12177 0.83223 0.00000 126 11YY 0.00001 0.00014 0.12126 -0.82855 0.00000 127 11ZZ 0.00000 0.00004 0.00050 -0.00379 -0.00001 128 11XY 0.00000 0.00002 0.03293 -0.22520 -0.00001 129 11XZ 0.04280 0.78220 -0.00002 0.00016 -0.04165 130 11YZ 0.03358 0.61329 -0.00001 0.00010 0.05309 131 12XX 0.00000 0.00000 -0.00271 0.01829 0.00000 132 12YY 0.00000 0.00000 0.00280 -0.01908 0.00000 133 12ZZ 0.00000 0.00000 0.00004 -0.00056 0.00000 134 12XY 0.00000 0.00000 0.00073 -0.00501 0.00000 135 12XZ 0.00096 0.01751 0.00000 0.00000 -0.00088 136 12YZ 0.00076 0.01374 0.00000 0.00000 0.00114 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00003 -0.00003 -0.00005 -0.00007 0.00001 139 2PX 0.00001 0.00001 0.00001 0.00000 -0.00003 140 2PY 0.00002 0.00002 -0.00001 0.00000 -0.00001 141 2PZ -0.00002 0.00002 0.00000 0.00000 0.00001 142 3S 0.00008 -0.00009 -0.00016 -0.00022 0.00007 143 3PX 0.00000 0.00000 -0.00006 0.00005 0.00015 144 3PY -0.00010 -0.00009 0.00002 -0.00002 0.00003 145 3PZ 0.00008 -0.00009 0.00002 0.00002 -0.00005 146 4S -0.00069 0.00077 0.00115 0.00155 -0.00018 147 4PX -0.00037 -0.00033 0.00079 -0.00059 -0.00035 148 4PY 0.00030 0.00027 -0.00007 0.00006 -0.00001 149 4PZ -0.00010 0.00011 -0.00037 -0.00050 0.00010 150 5XX 0.00001 -0.00001 -0.00006 -0.00008 0.00003 151 5YY 0.00005 -0.00005 -0.00009 -0.00012 0.00002 152 5ZZ 0.00006 -0.00007 -0.00005 -0.00007 0.00002 153 5XY 0.00000 0.00000 0.00002 0.00003 0.00000 154 5XZ 0.00003 0.00002 -0.00005 0.00004 0.00000 155 5YZ 0.00000 0.00000 -0.00001 0.00001 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00003 0.00003 -0.00005 -0.00007 -0.00001 158 2PX -0.00001 -0.00001 0.00001 0.00000 0.00003 159 2PY -0.00002 -0.00002 -0.00001 0.00000 0.00001 160 2PZ -0.00002 0.00002 0.00000 0.00000 0.00001 161 3S -0.00008 0.00009 -0.00016 -0.00022 -0.00007 162 3PX 0.00000 0.00000 -0.00006 0.00005 -0.00015 163 3PY 0.00010 0.00009 0.00002 -0.00002 -0.00003 164 3PZ 0.00008 -0.00009 -0.00002 -0.00002 -0.00005 165 4S 0.00069 -0.00077 0.00115 0.00155 0.00018 166 4PX 0.00037 0.00033 0.00079 -0.00059 0.00035 167 4PY -0.00030 -0.00027 -0.00007 0.00006 0.00001 168 4PZ -0.00010 0.00011 0.00037 0.00050 0.00010 169 5XX -0.00001 0.00001 -0.00006 -0.00008 -0.00003 170 5YY -0.00005 0.00005 -0.00009 -0.00012 -0.00002 171 5ZZ -0.00006 0.00007 -0.00005 -0.00007 -0.00002 172 5XY 0.00000 0.00000 0.00002 0.00003 0.00000 173 5XZ 0.00003 0.00002 0.00005 -0.00004 0.00000 174 5YZ 0.00000 0.00000 0.00001 -0.00001 0.00000 56 57 58 59 60 O O O O O Eigenvalues -- -2.65830 -2.65829 -2.65829 -0.90341 -0.88085 1 1 Al 1S 0.00000 0.00001 -0.00001 0.01059 0.00000 2 2S 0.00000 0.00002 -0.00005 -0.05005 0.00000 3 2PX 0.00000 -0.00013 -0.00003 0.02731 0.00000 4 2PY 0.00000 -0.00012 -0.00001 -0.00891 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00001 -0.02959 6 3S 0.00000 0.00028 -0.00055 0.09444 0.00000 7 3PX 0.00000 -0.00007 0.00009 -0.05355 0.00000 8 3PY 0.00000 0.00003 -0.00005 0.01616 0.00000 9 3PZ -0.00002 0.00000 0.00000 -0.00001 0.05189 10 4S 0.00000 -0.00189 0.00178 -0.02107 0.00000 11 4PX 0.00000 0.00080 -0.00136 0.01528 0.00000 12 4PY 0.00000 -0.00057 -0.00019 -0.00227 0.00000 13 4PZ 0.00026 0.00000 0.00000 0.00000 -0.01240 14 5XX 0.00000 0.00003 0.00005 0.00721 0.00000 15 5YY 0.00000 0.00008 0.00011 -0.00987 0.00000 16 5ZZ 0.00000 -0.00013 0.00006 0.00589 0.00000 17 5XY 0.00000 -0.00009 -0.00003 -0.01170 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 -0.02572 19 5YZ 0.00003 0.00000 0.00000 0.00000 0.01028 20 2 Al 1S 0.00000 -0.00001 0.00001 0.01059 0.00000 21 2S 0.00000 -0.00005 0.00002 -0.05005 -0.00001 22 2PX 0.00000 0.00001 0.00013 -0.02732 -0.00001 23 2PY 0.00000 -0.00001 0.00012 0.00891 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 -0.02960 25 3S 0.00000 -0.00059 0.00020 0.09444 0.00002 26 3PX 0.00000 -0.00009 0.00006 0.05355 0.00001 27 3PY 0.00000 0.00006 -0.00002 -0.01616 0.00000 28 3PZ -0.00014 0.00000 0.00000 0.00000 0.05189 29 4S 0.00000 0.00202 -0.00163 -0.02107 -0.00001 30 4PX 0.00000 0.00146 -0.00061 -0.01528 0.00000 31 4PY 0.00000 0.00011 0.00059 0.00227 0.00000 32 4PZ -0.00027 0.00000 0.00000 0.00000 -0.01240 33 5XX 0.00000 0.00005 0.00004 0.00721 0.00000 34 5YY 0.00000 0.00010 0.00010 -0.00987 0.00000 35 5ZZ 0.00000 0.00008 -0.00012 0.00589 0.00000 36 5XY 0.00000 -0.00002 -0.00009 -0.01169 0.00000 37 5XZ 0.00005 0.00000 0.00000 0.00000 0.02572 38 5YZ -0.00009 0.00000 0.00000 0.00000 -0.01028 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00636 0.00000 40 2S 0.00000 -0.00001 0.00003 -0.02914 0.00000 41 2PX 0.00000 0.00000 0.00002 0.00142 0.00000 42 2PY 0.00000 0.00002 0.00000 -0.00518 0.00000 43 2PZ -0.00001 0.00000 0.00000 0.00000 -0.00116 44 3S 0.00000 -0.00005 0.00013 0.05456 0.00000 45 3PX 0.00000 0.00000 -0.00009 -0.00291 0.00000 46 3PY 0.00000 -0.00008 0.00001 0.01256 0.00000 47 3PZ 0.00003 0.00000 0.00000 0.00000 0.00255 48 4S 0.00000 0.00021 -0.00070 0.02841 0.00000 49 4PX 0.00000 -0.00010 0.00035 -0.00271 0.00000 50 4PY 0.00000 0.00018 -0.00017 0.00396 0.00000 51 4PZ -0.00009 0.00000 0.00000 0.00000 0.00071 52 5XX 0.00000 -0.00002 0.00005 -0.00146 0.00000 53 5YY 0.00000 -0.00003 0.00004 0.00279 0.00000 54 5ZZ 0.00000 -0.00002 0.00005 -0.00158 0.00000 55 5XY 0.00000 -0.00001 0.00002 -0.00110 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 -0.00034 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00061 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00636 0.00000 59 2S 0.00000 0.00003 0.00000 -0.02914 -0.00001 60 2PX 0.00000 -0.00002 0.00000 -0.00142 0.00000 61 2PY 0.00000 0.00000 -0.00002 0.00518 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00116 63 3S 0.00000 0.00013 -0.00004 0.05456 0.00001 64 3PX 0.00000 0.00009 0.00001 0.00292 0.00000 65 3PY 0.00000 -0.00002 0.00008 -0.01256 0.00000 66 3PZ -0.00001 0.00000 0.00000 0.00000 0.00255 67 4S 0.00000 -0.00072 0.00011 0.02840 0.00001 68 4PX 0.00000 -0.00036 0.00005 0.00271 0.00000 69 4PY 0.00000 0.00020 -0.00016 -0.00396 0.00000 70 4PZ 0.00008 0.00000 0.00000 0.00000 0.00071 71 5XX 0.00000 0.00005 -0.00001 -0.00146 0.00000 72 5YY 0.00000 0.00004 -0.00003 0.00279 0.00000 73 5ZZ 0.00000 0.00005 -0.00001 -0.00158 0.00000 74 5XY 0.00000 0.00002 -0.00001 -0.00110 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00034 76 5YZ -0.00002 0.00000 0.00000 0.00000 -0.00061 77 5 Br 1S 0.00000 -0.00001 0.00000 -0.00213 0.00000 78 2S 0.00000 0.00008 0.00000 0.01384 0.00000 79 3S 0.00000 -0.00008 0.00003 -0.01617 0.00000 80 4S 0.00000 -0.00013 -0.00002 -0.02785 0.00000 81 5S 0.00000 -0.00029 -0.00025 0.02146 0.00000 82 6S 0.00000 0.00101 0.00084 0.01604 0.00000 83 7PX 0.00000 -0.00001 0.00000 -0.00140 0.00000 84 7PY 0.00000 -0.00001 0.00000 -0.00076 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00038 86 8PX 0.00000 0.00002 0.00001 0.00426 0.00000 87 8PY 0.00000 0.00003 -0.00001 0.00233 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00116 89 9PX 0.00000 0.00005 -0.00004 -0.00692 0.00000 90 9PY 0.00000 -0.00003 0.00004 -0.00442 0.00000 91 9PZ 0.00002 0.00000 0.00000 0.00000 0.00173 92 10PX 0.00000 -0.00028 0.00010 -0.00700 0.00000 93 10PY 0.00000 -0.00003 -0.00013 -0.00274 0.00000 94 10PZ -0.00007 0.00000 0.00000 0.00000 0.00124 95 11XX -0.00001 -0.32236 -0.02202 0.00637 0.00000 96 11YY -0.00002 -0.53000 -0.03634 0.00751 0.00000 97 11ZZ 0.00004 0.85245 0.05828 0.00802 0.00000 98 11XY 0.00002 0.49573 0.03393 -0.00112 0.00000 99 11XZ 0.04162 -0.00020 -0.00001 0.00000 0.00044 100 11YZ -0.05312 0.00023 0.00001 0.00000 0.00018 101 12XX 0.00000 -0.00700 -0.00066 0.00562 0.00000 102 12YY 0.00000 -0.01146 -0.00092 0.00389 0.00000 103 12ZZ 0.00000 0.01793 0.00107 0.00141 0.00000 104 12XY 0.00000 0.01058 0.00072 0.00352 0.00000 105 12XZ 0.00089 0.00000 0.00000 0.00000 0.00003 106 12YZ -0.00112 0.00000 0.00000 0.00000 -0.00009 107 6 Br 1S 0.00000 0.00000 -0.00001 -0.00213 0.00000 108 2S 0.00000 -0.00001 0.00007 0.01384 0.00000 109 3S 0.00000 0.00004 -0.00007 -0.01617 0.00000 110 4S 0.00000 -0.00001 -0.00014 -0.02785 -0.00001 111 5S 0.00000 -0.00021 -0.00032 0.02146 0.00000 112 6S 0.00000 0.00070 0.00111 0.01604 0.00000 113 7PX 0.00000 0.00000 0.00001 0.00140 0.00000 114 7PY 0.00000 0.00000 0.00001 0.00076 0.00000 115 7PZ -0.00001 0.00000 0.00000 0.00000 0.00038 116 8PX 0.00000 -0.00001 -0.00002 -0.00426 0.00000 117 8PY 0.00000 0.00001 -0.00003 -0.00233 0.00000 118 8PZ 0.00002 0.00000 0.00000 0.00000 -0.00116 119 9PX 0.00000 0.00004 -0.00005 0.00692 0.00000 120 9PY 0.00000 -0.00004 0.00003 0.00442 0.00000 121 9PZ -0.00004 0.00000 0.00000 0.00000 0.00173 122 10PX 0.00000 -0.00014 0.00027 0.00700 0.00000 123 10PY 0.00000 0.00013 0.00004 0.00274 0.00000 124 10PZ 0.00007 0.00000 0.00000 0.00000 0.00124 125 11XX 0.00012 0.02210 -0.32246 0.00637 0.00000 126 11YY 0.00015 0.03618 -0.52991 0.00751 0.00000 127 11ZZ -0.00028 -0.05837 0.85244 0.00802 0.00000 128 11XY -0.00016 -0.03390 0.49576 -0.00112 0.00000 129 11XZ -0.61294 0.00003 -0.00021 0.00000 -0.00044 130 11YZ 0.78174 -0.00003 0.00024 0.00000 -0.00018 131 12XX 0.00000 0.00030 -0.00702 0.00562 0.00000 132 12YY 0.00000 0.00065 -0.01147 0.00389 0.00000 133 12ZZ -0.00001 -0.00138 0.01790 0.00141 0.00000 134 12XY 0.00000 -0.00073 0.01058 0.00352 0.00000 135 12XZ -0.01301 0.00000 0.00000 0.00000 -0.00003 136 12YZ 0.01663 0.00000 0.00001 0.00000 0.00009 137 7 Cl 1S 0.00000 0.00000 0.00000 0.05646 0.05998 138 2S -0.00001 0.00001 0.00001 -0.25541 -0.27070 139 2PX -0.00003 0.00000 0.00000 0.00000 0.00000 140 2PY -0.00001 -0.00001 0.00001 0.00000 0.00000 141 2PZ -0.00001 0.00000 0.00000 0.02340 0.01542 142 3S -0.00008 0.00004 0.00004 0.50339 0.54006 143 3PX 0.00013 -0.00003 0.00003 0.00000 -0.00001 144 3PY 0.00002 0.00005 -0.00004 0.00000 0.00000 145 3PZ 0.00006 0.00000 0.00000 -0.05584 -0.03785 146 4S 0.00021 -0.00020 -0.00023 0.21479 0.22610 147 4PX -0.00031 0.00030 -0.00027 0.00000 0.00000 148 4PY -0.00001 -0.00024 0.00021 0.00000 0.00000 149 4PZ -0.00012 0.00003 0.00004 -0.01273 -0.01073 150 5XX -0.00003 0.00003 0.00003 -0.00135 -0.00058 151 5YY -0.00003 0.00001 0.00001 -0.01014 -0.00911 152 5ZZ -0.00003 0.00001 0.00001 0.00341 0.00014 153 5XY 0.00000 0.00000 0.00000 -0.00483 -0.00464 154 5XZ 0.00000 -0.00001 0.00001 0.00000 0.00000 155 5YZ 0.00000 0.00001 -0.00001 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.05647 -0.05997 157 2S 0.00001 0.00001 0.00001 -0.25546 0.27066 158 2PX 0.00003 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00001 -0.00001 0.00001 0.00000 0.00000 160 2PZ -0.00001 0.00000 0.00000 -0.02341 0.01541 161 3S 0.00008 0.00004 0.00004 0.50349 -0.53997 162 3PX -0.00013 -0.00003 0.00003 0.00000 0.00000 163 3PY -0.00002 0.00005 -0.00004 0.00000 0.00000 164 3PZ 0.00006 0.00000 0.00000 0.05584 -0.03784 165 4S -0.00021 -0.00020 -0.00023 0.21483 -0.22606 166 4PX 0.00031 0.00030 -0.00027 0.00000 0.00000 167 4PY 0.00001 -0.00024 0.00021 0.00000 0.00000 168 4PZ -0.00012 -0.00003 -0.00004 0.01273 -0.01072 169 5XX 0.00003 0.00003 0.00003 -0.00135 0.00058 170 5YY 0.00003 0.00001 0.00001 -0.01014 0.00911 171 5ZZ 0.00003 0.00001 0.00001 0.00341 -0.00014 172 5XY 0.00000 0.00000 0.00000 -0.00483 0.00464 173 5XZ 0.00000 0.00001 -0.00001 0.00000 0.00000 174 5YZ 0.00000 -0.00001 0.00001 0.00000 0.00000 61 62 63 64 65 O O O O O Eigenvalues -- -0.83151 -0.82965 -0.78315 -0.78214 -0.50474 1 1 Al 1S 0.00915 0.00716 -0.00732 -0.00634 0.02869 2 2S -0.04277 -0.03410 0.03512 0.03109 -0.13417 3 2PX -0.00475 -0.00910 0.02355 0.02647 0.02200 4 2PY 0.03214 0.03435 0.02453 0.02236 -0.00499 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 6 3S 0.09145 0.06964 -0.06936 -0.05691 0.34061 7 3PX 0.00577 0.01575 -0.04033 -0.04830 -0.06096 8 3PY -0.06044 -0.06543 -0.04559 -0.04068 0.01035 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 10 4S -0.02400 -0.00674 -0.00994 -0.02048 -0.00652 11 4PX 0.00637 0.00029 -0.01316 -0.01019 0.00857 12 4PY 0.00507 0.01648 -0.00718 -0.01796 -0.00477 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5XX -0.01400 -0.01515 -0.00780 -0.00752 -0.01495 15 5YY 0.02211 0.02442 0.00300 0.00108 -0.01621 16 5ZZ -0.01390 -0.01627 0.00933 0.01148 0.01241 17 5XY -0.00287 -0.00126 -0.01722 -0.01885 -0.00485 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00001 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S -0.00915 0.00716 0.00731 -0.00635 -0.02869 21 2S 0.04275 -0.03412 -0.03507 0.03115 0.13417 22 2PX -0.00475 0.00910 0.02350 -0.02651 0.02200 23 2PY 0.03213 -0.03436 0.02450 -0.02240 -0.00499 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S -0.09142 0.06968 0.06927 -0.05702 -0.34061 26 3PX 0.00577 -0.01576 -0.04024 0.04836 -0.06096 27 3PY -0.06041 0.06545 -0.04553 0.04076 0.01034 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 29 4S 0.02399 -0.00674 0.00991 -0.02050 0.00652 30 4PX 0.00637 -0.00029 -0.01314 0.01021 0.00857 31 4PY 0.00506 -0.01648 -0.00715 0.01798 -0.00477 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX 0.01399 -0.01515 0.00778 -0.00753 0.01495 34 5YY -0.02210 0.02443 -0.00300 0.00108 0.01622 35 5ZZ 0.01390 -0.01628 -0.00931 0.01150 -0.01241 36 5XY 0.00287 -0.00127 0.01719 -0.01887 0.00485 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 Cl 1S 0.05826 0.05817 0.00715 0.00592 -0.01057 40 2S -0.26321 -0.26282 -0.03207 -0.02633 0.04754 41 2PX 0.00246 0.00224 0.00108 0.00108 0.01165 42 2PY -0.02095 -0.02019 0.00033 0.00032 -0.05879 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 44 3S 0.52375 0.52321 0.06598 0.05512 -0.10533 45 3PX -0.00550 -0.00527 -0.00310 -0.00292 -0.02899 46 3PY 0.04897 0.04722 -0.00109 -0.00101 0.14582 47 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 48 4S 0.20904 0.21041 0.02192 0.01404 -0.06686 49 4PX -0.00259 -0.00093 0.00476 0.00387 -0.00898 50 4PY 0.00217 0.00087 -0.00199 -0.00176 0.04680 51 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 52 5XX -0.00928 -0.00923 -0.00064 -0.00036 -0.00253 53 5YY 0.00648 0.00592 -0.00071 -0.00038 0.01403 54 5ZZ -0.00918 -0.00911 -0.00054 -0.00022 -0.00227 55 5XY -0.00210 -0.00190 -0.00043 -0.00048 -0.00371 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S -0.05824 0.05819 -0.00714 0.00593 0.01057 59 2S 0.26310 -0.26293 0.03202 -0.02638 -0.04754 60 2PX 0.00246 -0.00224 0.00108 -0.00108 0.01166 61 2PY -0.02094 0.02020 0.00033 -0.00032 -0.05879 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S -0.52353 0.52343 -0.06589 0.05522 0.10533 64 3PX -0.00551 0.00528 -0.00310 0.00292 -0.02901 65 3PY 0.04895 -0.04723 -0.00109 0.00101 0.14582 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S -0.20895 0.21049 -0.02190 0.01408 0.06686 68 4PX -0.00259 0.00093 0.00476 -0.00388 -0.00898 69 4PY 0.00217 -0.00087 -0.00199 0.00176 0.04680 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00927 -0.00924 0.00064 -0.00036 0.00253 72 5YY -0.00648 0.00592 0.00070 -0.00038 -0.01403 73 5ZZ 0.00918 -0.00912 0.00054 -0.00022 0.00227 74 5XY 0.00210 -0.00190 0.00043 -0.00048 0.00371 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S -0.00345 -0.00256 0.03665 0.03670 0.00655 78 2S 0.02243 0.01676 -0.23828 -0.23877 -0.04260 79 3S -0.02613 -0.01970 0.27692 0.27778 0.04936 80 4S -0.04581 -0.03400 0.49051 0.49115 0.09065 81 5S 0.03659 0.03112 -0.43146 -0.43793 -0.07768 82 6S 0.02654 0.00814 -0.18844 -0.17268 -0.07017 83 7PX -0.00108 -0.00073 0.00623 0.00608 -0.01586 84 7PY -0.00116 -0.00094 0.00473 0.00467 -0.01058 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00329 0.00221 -0.01900 -0.01855 0.04861 87 8PY 0.00354 0.00285 -0.01442 -0.01425 0.03244 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX -0.00563 -0.00399 0.03336 0.03315 -0.08520 90 9PY -0.00603 -0.00479 0.02546 0.02518 -0.05671 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX -0.00567 -0.00237 0.00171 -0.00198 -0.05394 93 10PY -0.00357 -0.00274 0.00036 -0.00040 -0.03629 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 11XX 0.01146 0.00879 -0.12219 -0.12278 -0.02552 96 11YY 0.01147 0.00854 -0.12493 -0.12530 -0.02194 97 11ZZ 0.01255 0.00952 -0.12876 -0.12915 -0.01934 98 11XY -0.00127 -0.00096 0.00604 0.00593 -0.00529 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00609 0.00629 -0.05915 -0.06165 0.00304 102 12YY 0.00502 0.00583 -0.05453 -0.05769 -0.00307 103 12ZZ 0.00314 0.00411 -0.04859 -0.05176 -0.00885 104 12XY 0.00323 0.00236 -0.00999 -0.00946 0.01141 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00345 -0.00256 -0.03659 0.03676 -0.00655 108 2S -0.02242 0.01677 0.23789 -0.23915 0.04260 109 3S 0.02612 -0.01971 -0.27647 0.27823 -0.04936 110 4S 0.04579 -0.03401 -0.48971 0.49194 -0.09065 111 5S -0.03658 0.03113 0.43075 -0.43863 0.07768 112 6S -0.02654 0.00815 0.18817 -0.17299 0.07017 113 7PX -0.00108 0.00073 0.00622 -0.00609 -0.01586 114 7PY -0.00116 0.00094 0.00472 -0.00468 -0.01059 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00329 -0.00222 -0.01897 0.01858 0.04861 117 8PY 0.00354 -0.00285 -0.01440 0.01427 0.03245 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX -0.00563 0.00399 0.03331 -0.03321 -0.08519 120 9PY -0.00603 0.00480 0.02542 -0.02523 -0.05672 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX -0.00567 0.00237 0.00171 0.00198 -0.05393 123 10PY -0.00357 0.00274 0.00036 0.00040 -0.03630 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX -0.01146 0.00879 0.12199 -0.12298 0.02551 126 11YY -0.01146 0.00854 0.12473 -0.12550 0.02194 127 11ZZ -0.01254 0.00952 0.12856 -0.12936 0.01934 128 11XY 0.00127 -0.00096 -0.00603 0.00594 0.00529 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX -0.00608 0.00630 0.05905 -0.06174 -0.00304 132 12YY -0.00501 0.00584 0.05444 -0.05778 0.00307 133 12ZZ -0.00314 0.00411 0.04851 -0.05184 0.00885 134 12XY -0.00323 0.00236 0.00998 -0.00948 -0.01141 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 -0.00912 0.00000 0.00508 0.00000 138 2S 0.00000 0.04064 -0.00002 -0.02280 -0.00001 139 2PX -0.00397 0.00000 0.00572 0.00000 -0.12713 140 2PY 0.00360 0.00000 0.00077 0.00000 0.05164 141 2PZ 0.00000 -0.00070 0.00000 -0.00086 -0.00001 142 3S -0.00001 -0.08476 0.00003 0.04728 0.00001 143 3PX 0.00918 0.00000 -0.01398 0.00001 0.32015 144 3PY -0.00852 0.00000 -0.00237 0.00000 -0.13004 145 3PZ 0.00000 0.00183 0.00000 0.00165 0.00002 146 4S 0.00000 -0.02998 0.00002 0.02352 0.00002 147 4PX 0.00684 0.00000 -0.00005 0.00000 0.12884 148 4PY -0.00223 0.00000 0.00545 -0.00001 -0.05145 149 4PZ 0.00000 -0.00222 0.00000 0.00237 0.00000 150 5XX 0.00000 0.00029 0.00000 -0.00113 0.00000 151 5YY 0.00000 0.00140 0.00000 -0.00014 0.00000 152 5ZZ 0.00000 -0.00012 0.00000 -0.00024 0.00000 153 5XY 0.00000 -0.00033 0.00000 -0.00044 0.00000 154 5XZ -0.00227 0.00000 0.00218 0.00000 -0.02533 155 5YZ 0.00138 0.00000 -0.00024 0.00000 0.01024 156 8 Cl 1S 0.00000 -0.00912 0.00000 0.00508 0.00000 157 2S 0.00001 0.04064 -0.00002 -0.02280 0.00001 158 2PX -0.00397 0.00000 0.00572 0.00000 -0.12714 159 2PY 0.00360 0.00000 0.00077 0.00000 0.05165 160 2PZ 0.00000 0.00070 0.00000 0.00086 -0.00001 161 3S -0.00003 -0.08475 0.00004 0.04728 -0.00001 162 3PX 0.00918 0.00000 -0.01399 0.00001 0.32019 163 3PY -0.00852 0.00000 -0.00237 0.00000 -0.13006 164 3PZ 0.00000 -0.00183 0.00000 -0.00165 0.00002 165 4S -0.00001 -0.02997 0.00002 0.02352 -0.00002 166 4PX 0.00684 0.00000 -0.00005 0.00000 0.12885 167 4PY -0.00223 0.00000 0.00545 0.00000 -0.05146 168 4PZ 0.00000 0.00222 0.00000 -0.00237 0.00000 169 5XX 0.00000 0.00029 0.00000 -0.00113 0.00000 170 5YY 0.00000 0.00140 0.00000 -0.00014 0.00000 171 5ZZ 0.00000 -0.00012 0.00000 -0.00024 0.00000 172 5XY 0.00000 -0.00033 0.00000 -0.00044 0.00000 173 5XZ 0.00227 0.00000 -0.00218 0.00000 0.02533 174 5YZ -0.00138 0.00000 0.00024 0.00000 -0.01024 66 67 68 69 70 O O O O O Eigenvalues -- -0.50283 -0.45693 -0.42797 -0.42517 -0.40690 1 1 Al 1S 0.02321 0.00000 -0.00046 -0.01709 -0.00001 2 2S -0.10823 0.00000 0.00127 0.07957 0.00002 3 2PX 0.04049 0.00000 -0.01917 0.05913 0.00004 4 2PY -0.01338 0.00000 -0.06936 -0.04491 -0.00001 5 2PZ 0.00000 -0.07892 0.00000 0.00001 0.04969 6 3S 0.27662 0.00000 -0.01053 -0.22095 -0.00008 7 3PX -0.10814 0.00000 0.05090 -0.14878 -0.00009 8 3PY 0.03245 0.00000 0.18103 0.11765 0.00004 9 3PZ 0.00000 0.19322 0.00000 -0.00001 -0.11888 10 4S -0.00728 0.00000 0.00345 -0.01017 0.00002 11 4PX -0.00248 0.00000 0.01898 -0.00478 -0.00001 12 4PY -0.00189 0.00000 0.03250 -0.00696 -0.00001 13 4PZ 0.00000 0.00615 0.00000 0.00000 0.02576 14 5XX 0.02138 0.00000 -0.00542 0.03604 0.00001 15 5YY -0.00970 0.00000 0.00009 -0.02929 -0.00002 16 5ZZ -0.02616 0.00000 0.00811 0.02440 0.00002 17 5XY -0.02048 0.00000 -0.01333 -0.01953 0.00000 18 5XZ 0.00000 -0.04633 0.00000 0.00000 0.04431 19 5YZ 0.00000 0.01638 0.00000 0.00000 -0.01589 20 2 Al 1S 0.02321 0.00000 0.00045 -0.01709 0.00001 21 2S -0.10823 0.00001 -0.00123 0.07957 -0.00003 22 2PX -0.04049 0.00000 -0.01919 -0.05912 0.00004 23 2PY 0.01338 0.00000 -0.06934 0.04494 -0.00002 24 2PZ 0.00000 0.07892 0.00000 0.00000 0.04969 25 3S 0.27662 -0.00003 0.01042 -0.22095 0.00009 26 3PX 0.10814 0.00000 0.05095 0.14876 -0.00010 27 3PY -0.03245 0.00000 0.18098 -0.11773 0.00005 28 3PZ 0.00000 -0.19322 -0.00001 0.00001 -0.11888 29 4S -0.00728 0.00000 -0.00345 -0.01017 -0.00002 30 4PX 0.00248 0.00000 0.01898 0.00477 -0.00001 31 4PY 0.00189 0.00000 0.03251 0.00694 -0.00001 32 4PZ 0.00000 -0.00615 0.00000 0.00000 0.02576 33 5XX 0.02138 0.00000 0.00544 0.03604 -0.00001 34 5YY -0.00971 0.00000 -0.00010 -0.02930 0.00002 35 5ZZ -0.02616 0.00000 -0.00810 0.02440 -0.00002 36 5XY -0.02048 0.00000 0.01332 -0.01953 0.00000 37 5XZ 0.00000 -0.04634 0.00000 0.00000 -0.04431 38 5YZ 0.00000 0.01637 0.00000 0.00000 0.01591 39 3 Cl 1S -0.00705 0.00000 0.00678 0.01042 0.00000 40 2S 0.03151 0.00000 -0.03208 -0.04800 -0.00002 41 2PX 0.01095 0.00000 -0.03443 0.00652 0.00002 42 2PY -0.04093 -0.00001 0.07545 0.13763 0.00006 43 2PZ 0.00000 -0.02938 0.00000 0.00000 0.01979 44 3S -0.07079 -0.00001 0.06509 0.10293 0.00004 45 3PX -0.02754 0.00000 0.08666 -0.01676 -0.00004 46 3PY 0.10157 0.00001 -0.18886 -0.34544 -0.00016 47 3PZ 0.00000 0.07357 0.00001 0.00001 -0.04957 48 4S -0.03865 0.00000 0.09078 0.10079 0.00003 49 4PX -0.00591 0.00000 0.03445 -0.00783 -0.00002 50 4PY 0.03627 0.00000 -0.05692 -0.12134 -0.00006 51 4PZ 0.00000 0.02887 0.00000 0.00000 -0.02622 52 5XX -0.00136 0.00000 -0.00001 0.00562 0.00000 53 5YY 0.00980 0.00000 -0.01150 -0.02212 -0.00001 54 5ZZ -0.00281 0.00000 0.00170 0.00489 0.00000 55 5XY -0.00341 0.00000 0.00649 -0.00074 0.00000 56 5XZ 0.00000 -0.00178 0.00000 0.00000 0.00118 57 5YZ 0.00000 0.00675 0.00000 0.00000 -0.00373 58 4 Cl 1S -0.00705 0.00000 -0.00678 0.01042 0.00000 59 2S 0.03151 0.00000 0.03206 -0.04802 0.00002 60 2PX -0.01095 0.00000 -0.03444 -0.00649 0.00002 61 2PY 0.04093 -0.00001 0.07538 -0.13767 0.00007 62 2PZ 0.00000 0.02938 0.00000 0.00000 0.01978 63 3S -0.07079 0.00001 -0.06504 0.10296 -0.00004 64 3PX 0.02755 0.00000 0.08668 0.01667 -0.00004 65 3PY -0.10156 0.00001 -0.18868 0.34554 -0.00018 66 3PZ 0.00000 -0.07357 0.00000 -0.00001 -0.04953 67 4S -0.03864 0.00001 -0.09073 0.10083 -0.00003 68 4PX 0.00591 0.00000 0.03445 0.00780 -0.00002 69 4PY -0.03626 0.00000 -0.05686 0.12137 -0.00007 70 4PZ 0.00000 -0.02887 0.00000 0.00000 -0.02620 71 5XX -0.00136 0.00000 0.00001 0.00562 0.00000 72 5YY 0.00980 0.00000 0.01149 -0.02212 0.00001 73 5ZZ -0.00281 0.00000 -0.00170 0.00489 0.00000 74 5XY -0.00341 0.00000 -0.00649 -0.00073 0.00000 75 5XZ 0.00000 -0.00178 0.00000 0.00000 -0.00118 76 5YZ 0.00000 0.00675 0.00000 0.00000 0.00373 77 5 Br 1S 0.00427 0.00000 0.00371 -0.00479 0.00000 78 2S -0.02783 0.00000 -0.02389 0.03109 0.00002 79 3S 0.03235 0.00000 0.02714 -0.03587 -0.00002 80 4S 0.05904 0.00000 0.05213 -0.06689 -0.00003 81 5S -0.05664 0.00000 -0.01554 0.04340 0.00002 82 6S -0.02800 0.00000 -0.13232 0.09844 0.00005 83 7PX -0.01139 0.00000 -0.02145 0.01943 0.00001 84 7PY -0.00665 0.00000 -0.00576 0.02431 0.00001 85 7PZ 0.00000 0.00855 0.00000 0.00000 -0.00479 86 8PX 0.03492 0.00000 0.06588 -0.05967 -0.00004 87 8PY 0.02037 0.00000 0.01771 -0.07468 -0.00004 88 8PZ 0.00000 -0.02625 0.00000 0.00000 0.01471 89 9PX -0.06125 -0.00001 -0.11792 0.10622 0.00007 90 9PY -0.03513 0.00000 -0.03193 0.13326 0.00008 91 9PZ 0.00000 0.04669 -0.00001 0.00000 -0.02567 92 10PX -0.04115 0.00000 -0.06206 0.06514 0.00004 93 10PY -0.02854 0.00000 -0.00712 0.08231 0.00005 94 10PZ 0.00000 0.02905 0.00000 0.00000 -0.02197 95 11XX -0.01752 0.00000 -0.01627 0.01690 0.00001 96 11YY -0.01426 0.00000 -0.01003 0.01876 0.00001 97 11ZZ -0.01201 0.00000 -0.01015 0.01263 0.00001 98 11XY -0.00356 0.00000 -0.00247 0.00656 0.00000 99 11XZ 0.00000 0.00314 0.00000 0.00000 -0.00158 100 11YZ 0.00000 0.00183 0.00000 0.00000 -0.00088 101 12XX 0.00142 0.00000 0.01703 -0.00485 0.00000 102 12YY -0.00412 0.00000 0.00681 -0.00823 0.00000 103 12ZZ -0.01038 0.00000 0.00841 0.00187 0.00000 104 12XY 0.00835 0.00000 0.00186 -0.01127 -0.00001 105 12XZ 0.00000 -0.00547 0.00000 0.00000 0.00340 106 12YZ 0.00000 -0.00282 0.00000 0.00000 0.00205 107 6 Br 1S 0.00427 0.00000 -0.00371 -0.00479 0.00000 108 2S -0.02783 0.00000 0.02390 0.03108 -0.00002 109 3S 0.03235 0.00000 -0.02716 -0.03585 0.00002 110 4S 0.05905 0.00000 -0.05216 -0.06686 0.00003 111 5S -0.05664 0.00000 0.01557 0.04339 -0.00002 112 6S -0.02801 0.00000 0.13237 0.09836 -0.00005 113 7PX 0.01139 0.00000 -0.02146 -0.01941 0.00001 114 7PY 0.00665 0.00000 -0.00578 -0.02431 0.00002 115 7PZ 0.00000 -0.00855 0.00000 0.00000 -0.00479 116 8PX -0.03492 0.00000 0.06591 0.05962 -0.00004 117 8PY -0.02037 0.00000 0.01775 0.07467 -0.00005 118 8PZ 0.00000 0.02625 0.00000 0.00000 0.01472 119 9PX 0.06125 0.00000 -0.11797 -0.10613 0.00007 120 9PY 0.03514 -0.00001 -0.03201 -0.13324 0.00009 121 9PZ 0.00000 -0.04669 0.00000 0.00000 -0.02569 122 10PX 0.04114 0.00000 -0.06209 -0.06509 0.00004 123 10PY 0.02854 0.00000 -0.00716 -0.08231 0.00005 124 10PZ 0.00000 -0.02905 0.00000 0.00000 -0.02199 125 11XX -0.01752 0.00000 0.01628 0.01689 -0.00001 126 11YY -0.01427 0.00000 0.01004 0.01876 -0.00001 127 11ZZ -0.01201 0.00000 0.01015 0.01262 -0.00001 128 11XY -0.00356 0.00000 0.00247 0.00656 0.00000 129 11XZ 0.00000 0.00314 0.00000 0.00000 0.00158 130 11YZ 0.00000 0.00183 0.00000 0.00000 0.00088 131 12XX 0.00142 0.00000 -0.01703 -0.00484 0.00000 132 12YY -0.00412 0.00000 -0.00681 -0.00823 0.00001 133 12ZZ -0.01038 0.00000 -0.00840 0.00187 0.00000 134 12XY 0.00835 0.00000 -0.00187 -0.01127 0.00001 135 12XZ 0.00000 -0.00547 0.00000 0.00000 -0.00340 136 12YZ 0.00000 -0.00282 0.00000 0.00000 -0.00205 137 7 Cl 1S -0.01843 0.00000 0.00000 -0.00033 0.00691 138 2S 0.08213 0.00000 0.00000 0.00349 -0.03034 139 2PX 0.00001 -0.16817 -0.07244 0.00002 -0.00006 140 2PY 0.00000 0.06811 -0.13301 0.00004 0.00000 141 2PZ 0.14993 0.00001 0.00003 0.07644 -0.20269 142 3S -0.18807 0.00000 0.00000 0.00078 0.07545 143 3PX -0.00002 0.42886 0.18554 -0.00006 0.00014 144 3PY -0.00001 -0.17366 0.34042 -0.00009 0.00000 145 3PZ -0.37617 -0.00001 -0.00007 -0.19589 0.52144 146 4S -0.11460 0.00001 -0.00001 -0.03245 0.02896 147 4PX -0.00001 0.16932 0.08451 -0.00002 0.00006 148 4PY -0.00001 -0.06895 0.15805 -0.00004 0.00001 149 4PZ -0.14625 -0.00001 -0.00003 -0.07656 0.24565 150 5XX -0.00283 0.00000 0.00000 -0.00572 -0.00221 151 5YY -0.00720 0.00000 0.00000 -0.00225 0.00559 152 5ZZ 0.02519 0.00000 0.00000 0.01417 -0.01428 153 5XY -0.00244 0.00000 0.00000 0.00341 0.00446 154 5XZ 0.00000 -0.02134 -0.00835 0.00000 -0.00001 155 5YZ 0.00000 0.00863 -0.01532 0.00000 0.00000 156 8 Cl 1S -0.01843 0.00000 0.00000 -0.00033 -0.00691 157 2S 0.08213 0.00000 0.00000 0.00350 0.03034 158 2PX 0.00000 0.16817 -0.07244 0.00001 -0.00002 159 2PY 0.00001 -0.06811 -0.13302 0.00004 0.00008 160 2PZ -0.14993 -0.00001 -0.00003 -0.07646 -0.20268 161 3S -0.18808 0.00000 0.00000 0.00078 -0.07545 162 3PX 0.00001 -0.42884 0.18555 -0.00003 0.00006 163 3PY -0.00002 0.17365 0.34046 -0.00009 -0.00020 164 3PZ 0.37618 0.00002 0.00008 0.19592 0.52141 165 4S -0.11461 0.00001 -0.00001 -0.03245 -0.02896 166 4PX 0.00000 -0.16932 0.08452 -0.00002 0.00002 167 4PY -0.00001 0.06894 0.15807 -0.00004 -0.00010 168 4PZ 0.14625 0.00001 0.00003 0.07658 0.24564 169 5XX -0.00283 0.00000 0.00000 -0.00572 0.00221 170 5YY -0.00720 0.00000 0.00000 -0.00225 -0.00559 171 5ZZ 0.02519 0.00000 0.00001 0.01417 0.01428 172 5XY -0.00244 0.00000 0.00000 0.00341 -0.00446 173 5XZ 0.00000 -0.02134 0.00835 0.00000 0.00000 174 5YZ 0.00000 0.00863 0.01532 0.00000 -0.00001 71 72 73 74 75 O O O O O Eigenvalues -- -0.40372 -0.39506 -0.38834 -0.36982 -0.35121 1 1 Al 1S 0.01044 0.00000 -0.00470 -0.00333 0.00000 2 2S -0.04584 0.00000 0.02286 0.01553 0.00000 3 2PX -0.06341 0.00001 0.04865 0.03764 0.00000 4 2PY 0.03073 0.00002 0.07723 0.04910 0.00000 5 2PZ 0.00002 0.00002 0.00000 0.00000 -0.03106 6 3S 0.15052 -0.00001 -0.05682 -0.04433 0.00000 7 3PX 0.15686 -0.00002 -0.12301 -0.09278 0.00000 8 3PY -0.07786 -0.00005 -0.19960 -0.12391 0.00000 9 3PZ -0.00006 -0.00041 0.00000 0.00000 0.08183 10 4S -0.03865 0.00000 -0.00442 0.01623 0.00000 11 4PX 0.02058 0.00000 -0.00201 0.00244 0.00000 12 4PY 0.00892 0.00000 0.01675 0.04182 0.00000 13 4PZ 0.00001 -0.00145 0.00000 0.00000 0.05455 14 5XX -0.01073 0.00000 -0.02143 -0.03809 0.00000 15 5YY 0.04048 0.00000 0.02469 0.03544 0.00000 16 5ZZ -0.05209 0.00000 0.00358 0.00845 0.00000 17 5XY 0.00286 0.00000 -0.02766 -0.04330 0.00000 18 5XZ 0.00002 0.01316 0.00000 0.00000 0.01663 19 5YZ -0.00001 0.04041 -0.00001 0.00000 -0.03623 20 2 Al 1S -0.01044 0.00000 -0.00470 0.00333 0.00000 21 2S 0.04585 0.00001 0.02286 -0.01553 0.00000 22 2PX -0.06342 -0.00002 -0.04863 0.03765 0.00000 23 2PY 0.03071 -0.00002 -0.07723 0.04911 0.00000 24 2PZ 0.00002 -0.00003 0.00000 0.00000 -0.03106 25 3S -0.15053 -0.00002 -0.05681 0.04434 0.00000 26 3PX 0.15688 0.00004 0.12297 -0.09278 -0.00001 27 3PY -0.07782 0.00006 0.19961 -0.12393 0.00000 28 3PZ -0.00005 0.00043 0.00000 0.00000 0.08182 29 4S 0.03865 0.00000 -0.00442 -0.01623 -0.00001 30 4PX 0.02058 0.00000 0.00201 0.00243 -0.00001 31 4PY 0.00892 0.00000 -0.01675 0.04182 0.00000 32 4PZ 0.00001 0.00143 0.00000 0.00000 0.05455 33 5XX 0.01073 0.00000 -0.02142 0.03808 0.00000 34 5YY -0.04048 0.00000 0.02469 -0.03543 0.00000 35 5ZZ 0.05209 0.00000 0.00357 -0.00845 0.00000 36 5XY -0.00285 -0.00001 -0.02767 0.04331 0.00000 37 5XZ -0.00002 0.01317 0.00000 0.00000 -0.01663 38 5YZ 0.00001 0.04041 -0.00001 0.00000 0.03623 39 3 Cl 1S -0.00632 0.00000 -0.00460 -0.00225 0.00000 40 2S 0.02898 0.00001 0.02183 0.01084 0.00000 41 2PX -0.03213 0.00001 0.04864 0.02065 0.00000 42 2PY -0.12204 -0.00002 -0.10256 -0.09322 -0.00001 43 2PZ 0.00001 0.03848 -0.00001 0.00001 -0.18706 44 3S -0.06313 -0.00001 -0.04449 -0.02144 0.00000 45 3PX 0.08169 -0.00002 -0.12340 -0.05236 -0.00001 46 3PY 0.30748 0.00005 0.25931 0.23692 0.00002 47 3PZ -0.00004 -0.09653 0.00002 -0.00001 0.47736 48 4S -0.05640 -0.00001 -0.05948 -0.02644 0.00000 49 4PX 0.03700 -0.00001 -0.05467 -0.02338 0.00000 50 4PY 0.12033 0.00002 0.09421 0.09497 0.00001 51 4PZ -0.00002 -0.05492 0.00001 -0.00001 0.25036 52 5XX -0.00557 0.00000 -0.00219 -0.00367 0.00000 53 5YY 0.01754 0.00000 0.01193 0.00988 0.00000 54 5ZZ -0.00556 0.00000 -0.00301 -0.00288 0.00000 55 5XY 0.00464 0.00000 -0.00780 -0.00366 0.00000 56 5XZ 0.00000 0.00237 0.00000 0.00000 -0.00154 57 5YZ 0.00000 -0.00526 0.00000 0.00000 0.01635 58 4 Cl 1S 0.00632 0.00000 -0.00460 0.00225 0.00000 59 2S -0.02898 0.00001 0.02183 -0.01084 0.00000 60 2PX -0.03212 -0.00002 -0.04865 0.02067 0.00001 61 2PY -0.12204 0.00002 0.10255 -0.09322 0.00000 62 2PZ 0.00001 -0.03848 0.00001 0.00000 -0.18706 63 3S 0.06313 -0.00001 -0.04449 0.02144 0.00000 64 3PX 0.08166 0.00004 0.12342 -0.05241 -0.00003 65 3PY 0.30748 -0.00006 -0.25930 0.23691 0.00001 66 3PZ -0.00004 0.09653 -0.00002 0.00000 0.47735 67 4S 0.05640 -0.00002 -0.05948 0.02644 0.00000 68 4PX 0.03699 0.00002 0.05467 -0.02341 -0.00001 69 4PY 0.12033 -0.00002 -0.09421 0.09497 0.00001 70 4PZ -0.00002 0.05492 -0.00001 0.00000 0.25035 71 5XX 0.00557 0.00000 -0.00219 0.00367 0.00000 72 5YY -0.01754 0.00000 0.01193 -0.00988 0.00000 73 5ZZ 0.00556 0.00000 -0.00301 0.00288 0.00000 74 5XY -0.00464 0.00000 -0.00780 0.00367 0.00000 75 5XZ 0.00000 0.00237 0.00000 0.00000 0.00155 76 5YZ 0.00000 -0.00526 0.00000 0.00000 -0.01635 77 5 Br 1S 0.00382 0.00000 -0.00560 -0.00346 0.00000 78 2S -0.02480 0.00001 0.03642 0.02265 0.00000 79 3S 0.02869 -0.00001 -0.04220 -0.02653 0.00000 80 4S 0.05335 -0.00002 -0.07840 -0.04834 0.00000 81 5S -0.03283 0.00001 0.04299 0.03248 0.00000 82 6S -0.08536 0.00003 0.14059 0.06707 0.00000 83 7PX -0.01959 0.00001 0.04687 0.03703 0.00000 84 7PY -0.02597 0.00001 0.03321 0.03795 0.00000 85 7PZ 0.00000 0.00957 0.00000 0.00000 0.01613 86 8PX 0.06020 -0.00003 -0.14411 -0.11390 0.00000 87 8PY 0.07981 -0.00002 -0.10210 -0.11675 0.00000 88 8PZ 0.00001 -0.02940 0.00000 0.00000 -0.04970 89 9PX -0.10737 0.00005 0.25879 0.20475 0.00000 90 9PY -0.14291 0.00003 0.18387 0.21088 0.00000 91 9PZ -0.00002 0.05140 -0.00001 0.00001 0.09120 92 10PX -0.06842 0.00003 0.16486 0.13964 0.00000 93 10PY -0.09211 0.00002 0.11244 0.14365 0.00000 94 10PZ -0.00002 0.04704 -0.00001 0.00001 0.06149 95 11XX -0.01361 0.00000 0.02411 0.01470 0.00000 96 11YY -0.01583 0.00000 0.01879 0.01340 0.00000 97 11ZZ -0.00921 0.00000 0.01392 0.00763 0.00000 98 11XY -0.00577 0.00000 0.00845 0.00775 0.00000 99 11XZ 0.00000 0.00259 0.00000 0.00000 0.00178 100 11YZ 0.00000 0.00058 0.00000 0.00000 0.00203 101 12XX 0.00441 0.00000 -0.01542 -0.00549 0.00000 102 12YY 0.00900 0.00000 -0.00568 -0.00373 0.00000 103 12ZZ -0.00292 0.00000 0.00017 0.00542 0.00000 104 12XY 0.00928 0.00000 -0.01213 -0.01245 0.00000 105 12XZ 0.00000 -0.00669 0.00000 0.00000 -0.00409 106 12YZ 0.00000 -0.00070 0.00000 0.00000 -0.00515 107 6 Br 1S -0.00382 0.00000 -0.00560 0.00346 0.00000 108 2S 0.02480 0.00001 0.03642 -0.02265 0.00000 109 3S -0.02869 -0.00001 -0.04219 0.02653 0.00000 110 4S -0.05336 -0.00003 -0.07840 0.04835 0.00000 111 5S 0.03283 0.00001 0.04298 -0.03249 0.00000 112 6S 0.08537 0.00006 0.14058 -0.06708 0.00000 113 7PX -0.01960 -0.00001 -0.04687 0.03703 0.00000 114 7PY -0.02597 -0.00001 -0.03321 0.03796 0.00000 115 7PZ 0.00000 -0.00957 0.00000 0.00000 0.01613 116 8PX 0.06021 0.00004 0.14409 -0.11390 0.00000 117 8PY 0.07983 0.00003 0.10210 -0.11678 0.00000 118 8PZ 0.00001 0.02940 0.00000 0.00000 -0.04969 119 9PX -0.10738 -0.00008 -0.25874 0.20474 -0.00001 120 9PY -0.14293 -0.00005 -0.18387 0.21092 0.00000 121 9PZ -0.00002 -0.05140 0.00001 0.00001 0.09119 122 10PX -0.06843 -0.00005 -0.16483 0.13964 0.00000 123 10PY -0.09212 -0.00003 -0.11244 0.14368 0.00000 124 10PZ -0.00001 -0.04704 0.00001 0.00000 0.06148 125 11XX 0.01361 0.00001 0.02410 -0.01470 0.00000 126 11YY 0.01583 0.00001 0.01879 -0.01340 0.00000 127 11ZZ 0.00921 0.00000 0.01392 -0.00763 0.00000 128 11XY 0.00577 0.00000 0.00845 -0.00775 0.00000 129 11XZ 0.00000 0.00259 0.00000 0.00000 -0.00178 130 11YZ 0.00000 0.00058 0.00000 0.00000 -0.00203 131 12XX -0.00441 -0.00001 -0.01541 0.00549 0.00000 132 12YY -0.00900 0.00000 -0.00568 0.00373 0.00000 133 12ZZ 0.00292 0.00000 0.00017 -0.00542 0.00000 134 12XY -0.00929 0.00000 -0.01213 0.01246 0.00000 135 12XZ 0.00000 -0.00669 0.00000 0.00000 0.00409 136 12YZ 0.00000 -0.00070 0.00000 0.00000 0.00515 137 7 Cl 1S 0.00000 0.00000 0.00055 0.00000 -0.00323 138 2S -0.00001 0.00000 -0.00181 0.00000 0.01521 139 2PX 0.08644 -0.07694 0.00001 -0.05801 0.00000 140 2PY -0.07667 -0.17882 0.00004 -0.09525 -0.00001 141 2PZ -0.00011 0.00005 0.00992 0.00000 -0.03190 142 3S 0.00004 -0.00001 0.00728 0.00000 -0.03143 143 3PX -0.22265 0.19705 -0.00003 0.15034 0.00000 144 3PY 0.19743 0.45783 -0.00011 0.24646 0.00002 145 3PZ 0.00028 -0.00012 -0.02560 -0.00001 0.08449 146 4S 0.00001 0.00000 -0.00880 0.00000 -0.06257 147 4PX -0.09350 0.10704 -0.00002 0.07208 0.00000 148 4PY 0.08998 0.24883 -0.00006 0.12977 0.00001 149 4PZ 0.00014 -0.00006 -0.00838 -0.00001 0.04727 150 5XX 0.00000 0.00000 -0.00614 0.00000 0.00388 151 5YY 0.00000 0.00000 0.00491 0.00000 0.00440 152 5ZZ -0.00001 0.00000 0.00229 0.00000 -0.00480 153 5XY 0.00000 0.00000 -0.00470 0.00000 -0.00437 154 5XZ 0.00817 -0.00526 0.00000 -0.00315 0.00000 155 5YZ -0.00706 -0.01180 0.00000 -0.00469 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00055 0.00000 0.00323 157 2S 0.00001 0.00000 -0.00181 0.00000 -0.01521 158 2PX 0.08643 0.07695 -0.00003 -0.05801 0.00000 159 2PY -0.07667 0.17881 -0.00004 -0.09524 0.00000 160 2PZ -0.00011 0.00004 -0.00992 0.00000 -0.03190 161 3S -0.00004 0.00001 0.00728 0.00000 0.03143 162 3PX -0.22263 -0.19705 0.00007 0.15033 -0.00001 163 3PY 0.19745 -0.45780 0.00011 0.24644 -0.00001 164 3PZ 0.00029 -0.00010 0.02560 0.00000 0.08449 165 4S -0.00001 0.00000 -0.00880 0.00000 0.06257 166 4PX -0.09348 -0.10704 0.00004 0.07208 -0.00001 167 4PY 0.08999 -0.24881 0.00006 0.12976 -0.00001 168 4PZ 0.00014 -0.00005 0.00838 0.00000 0.04727 169 5XX 0.00000 0.00000 -0.00614 0.00000 -0.00388 170 5YY 0.00000 0.00000 0.00491 0.00000 -0.00440 171 5ZZ 0.00001 0.00000 0.00229 0.00000 0.00480 172 5XY 0.00000 0.00000 -0.00470 0.00000 0.00437 173 5XZ -0.00817 -0.00526 0.00000 0.00315 0.00000 174 5YZ 0.00706 -0.01179 0.00000 0.00469 0.00000 76 77 78 79 80 O O O O O Eigenvalues -- -0.34809 -0.34450 -0.34234 -0.32553 -0.31978 1 1 Al 1S -0.00187 -0.00231 0.00000 0.00000 -0.00006 2 2S 0.01160 0.01340 0.00000 0.00000 -0.00111 3 2PX -0.00680 -0.00673 0.00000 0.00000 0.00569 4 2PY 0.00995 0.00831 0.00000 0.00000 -0.00655 5 2PZ 0.00000 0.00000 0.01357 -0.02006 -0.00006 6 3S -0.01157 -0.01689 0.00000 0.00000 -0.00716 7 3PX 0.01249 0.02021 0.00000 0.00000 -0.00924 8 3PY -0.02205 -0.02134 0.00000 0.00000 0.01734 9 3PZ 0.00000 0.00000 -0.03587 0.05187 0.00015 10 4S -0.02279 -0.08695 0.00000 0.00001 0.01142 11 4PX 0.07191 0.10954 0.00000 0.00000 -0.02241 12 4PY -0.00789 -0.02654 0.00000 0.00000 0.04826 13 4PZ 0.00000 0.00000 -0.04917 0.04135 0.00024 14 5XX 0.02029 0.00992 0.00000 0.00000 -0.03332 15 5YY -0.02019 -0.02916 0.00000 0.00000 0.03384 16 5ZZ 0.00293 0.01831 0.00000 0.00000 -0.00118 17 5XY -0.05258 -0.04384 0.00000 0.00000 -0.00895 18 5XZ 0.00000 0.00000 -0.02349 0.02925 0.00016 19 5YZ 0.00000 0.00000 0.03116 0.03128 0.00009 20 2 Al 1S -0.00187 0.00231 0.00000 0.00000 -0.00006 21 2S 0.01160 -0.01340 0.00000 0.00000 -0.00111 22 2PX 0.00680 -0.00673 0.00000 0.00000 -0.00569 23 2PY -0.00995 0.00832 0.00000 0.00000 0.00654 24 2PZ 0.00000 0.00000 -0.01357 -0.02006 0.00006 25 3S -0.01157 0.01690 0.00000 0.00000 -0.00715 26 3PX -0.01249 0.02022 0.00000 0.00000 0.00924 27 3PY 0.02205 -0.02134 0.00000 0.00000 -0.01733 28 3PZ 0.00000 0.00000 0.03588 0.05187 -0.00015 29 4S -0.02278 0.08695 0.00000 -0.00001 0.01137 30 4PX -0.07189 0.10956 0.00000 0.00000 0.02239 31 4PY 0.00788 -0.02652 0.00000 0.00000 -0.04822 32 4PZ 0.00000 0.00000 0.04917 0.04133 -0.00024 33 5XX 0.02029 -0.00993 0.00000 0.00000 -0.03331 34 5YY -0.02019 0.02918 0.00000 0.00000 0.03382 35 5ZZ 0.00292 -0.01831 0.00000 0.00000 -0.00118 36 5XY -0.05256 0.04384 0.00000 0.00000 -0.00896 37 5XZ 0.00000 0.00000 -0.02350 -0.02924 0.00016 38 5YZ 0.00000 0.00000 0.03116 -0.03128 0.00009 39 3 Cl 1S 0.00010 -0.00004 0.00000 0.00000 0.00045 40 2S -0.00040 -0.00012 0.00000 0.00000 -0.00221 41 2PX -0.17733 -0.17832 0.00000 0.00000 -0.06885 42 2PY -0.01690 -0.00101 0.00000 0.00000 -0.03363 43 2PZ 0.00001 -0.00001 0.18811 0.05182 0.00019 44 3S 0.00094 -0.00124 0.00000 0.00000 0.00450 45 3PX 0.45360 0.45703 0.00001 0.00000 0.17648 46 3PY 0.04326 0.00257 -0.00001 0.00000 0.08648 47 3PZ -0.00001 0.00003 -0.48103 -0.13134 -0.00047 48 4S -0.00255 0.00046 0.00000 0.00000 0.01972 49 4PX 0.23321 0.23013 0.00001 0.00000 0.10166 50 4PY 0.02269 0.00509 -0.00001 0.00000 0.04355 51 4PZ -0.00001 0.00002 -0.25514 -0.08635 -0.00032 52 5XX -0.00287 -0.00228 0.00000 0.00000 -0.00262 53 5YY 0.00311 0.00103 0.00000 0.00000 0.00127 54 5ZZ 0.00021 0.00106 0.00000 0.00000 -0.00062 55 5XY 0.01423 0.01371 0.00000 0.00000 0.00266 56 5XZ 0.00000 0.00000 0.00064 0.00115 0.00000 57 5YZ 0.00000 0.00000 -0.01413 -0.00234 -0.00001 58 4 Cl 1S 0.00010 0.00004 0.00000 0.00000 0.00045 59 2S -0.00040 0.00012 0.00000 0.00000 -0.00221 60 2PX 0.17729 -0.17836 0.00000 0.00000 0.06880 61 2PY 0.01692 -0.00104 0.00000 0.00000 0.03362 62 2PZ 0.00000 0.00000 -0.18812 0.05181 -0.00019 63 3S 0.00094 0.00124 0.00000 0.00000 0.00450 64 3PX -0.45349 0.45713 0.00001 0.00001 -0.17634 65 3PY -0.04331 0.00264 0.00001 0.00000 -0.08646 66 3PZ -0.00001 0.00000 0.48104 -0.13133 0.00047 67 4S -0.00256 -0.00046 0.00000 0.00000 0.01970 68 4PX -0.23315 0.23018 0.00001 0.00001 -0.10158 69 4PY -0.02272 0.00512 0.00001 0.00000 -0.04354 70 4PZ 0.00000 0.00000 0.25515 -0.08634 0.00032 71 5XX -0.00287 0.00228 0.00000 0.00000 -0.00262 72 5YY 0.00311 -0.00104 0.00000 0.00000 0.00127 73 5ZZ 0.00021 -0.00106 0.00000 0.00000 -0.00062 74 5XY 0.01423 -0.01371 0.00000 0.00000 0.00266 75 5XZ 0.00000 0.00000 0.00064 -0.00115 0.00000 76 5YZ 0.00000 0.00000 -0.01413 0.00234 -0.00001 77 5 Br 1S -0.00060 -0.00044 0.00000 0.00000 0.00007 78 2S 0.00427 0.00319 0.00000 0.00000 -0.00037 79 3S -0.00572 -0.00442 0.00000 0.00000 0.00020 80 4S -0.00788 -0.00564 0.00000 0.00000 0.00121 81 5S 0.01674 0.01380 0.00000 0.00000 0.00353 82 6S -0.02660 -0.02588 0.00001 0.00000 -0.01702 83 7PX 0.02834 0.02801 0.00000 0.00000 -0.03959 84 7PY -0.00846 -0.00661 0.00000 0.00000 0.05950 85 7PZ 0.00000 0.00000 -0.01201 0.07299 0.00040 86 8PX -0.08724 -0.08625 0.00000 0.00001 0.12198 87 8PY 0.02607 0.02041 0.00000 0.00000 -0.18331 88 8PZ 0.00000 -0.00001 0.03701 -0.22480 -0.00122 89 9PX 0.15816 0.15708 0.00000 -0.00002 -0.22119 90 9PY -0.04769 -0.03812 0.00000 0.00001 0.33240 91 9PZ 0.00000 0.00001 -0.06806 0.40576 0.00222 92 10PX 0.11827 0.11369 0.00000 -0.00002 -0.18338 93 10PY -0.03664 -0.02490 0.00000 0.00001 0.27647 94 10PZ 0.00000 0.00001 -0.04601 0.34299 0.00187 95 11XX 0.00647 0.00573 0.00000 0.00000 -0.00501 96 11YY -0.00033 -0.00057 0.00000 0.00000 0.00492 97 11ZZ 0.00178 0.00098 0.00000 0.00000 -0.00012 98 11XY 0.00126 0.00152 0.00000 0.00000 0.00224 99 11XZ 0.00000 0.00000 -0.00104 0.00578 0.00003 100 11YZ 0.00000 0.00000 -0.00135 0.00440 0.00002 101 12XX -0.00103 -0.00112 0.00000 0.00000 0.02000 102 12YY 0.01429 0.01238 0.00000 0.00000 -0.01438 103 12ZZ 0.00671 0.00697 0.00000 0.00000 0.00193 104 12XY -0.00019 -0.00083 0.00000 0.00000 -0.00661 105 12XZ 0.00000 0.00000 0.00255 -0.01896 -0.00009 106 12YZ 0.00000 0.00000 0.00344 -0.01437 -0.00008 107 6 Br 1S -0.00060 0.00044 0.00000 0.00000 0.00007 108 2S 0.00427 -0.00319 0.00000 0.00000 -0.00037 109 3S -0.00572 0.00442 0.00000 0.00000 0.00020 110 4S -0.00788 0.00565 0.00000 0.00000 0.00121 111 5S 0.01674 -0.01381 0.00000 0.00000 0.00352 112 6S -0.02658 0.02588 0.00001 0.00000 -0.01700 113 7PX -0.02834 0.02802 0.00000 0.00000 0.03957 114 7PY 0.00845 -0.00661 0.00000 0.00000 -0.05946 115 7PZ 0.00000 0.00000 0.01201 0.07296 -0.00040 116 8PX 0.08723 -0.08627 0.00000 0.00001 -0.12192 117 8PY -0.02606 0.02040 0.00000 -0.00001 0.18318 118 8PZ 0.00000 0.00000 -0.03701 -0.22473 0.00122 119 9PX -0.15814 0.15711 0.00001 -0.00002 0.22107 120 9PY 0.04766 -0.03811 -0.00001 0.00001 -0.33217 121 9PZ -0.00001 0.00001 0.06808 0.40564 -0.00221 122 10PX -0.11826 0.11371 0.00001 -0.00002 0.18328 123 10PY 0.03662 -0.02489 0.00000 0.00001 -0.27629 124 10PZ 0.00000 0.00001 0.04602 0.34289 -0.00187 125 11XX 0.00647 -0.00574 0.00000 0.00000 -0.00501 126 11YY -0.00033 0.00057 0.00000 0.00000 0.00492 127 11ZZ 0.00178 -0.00098 0.00000 0.00000 -0.00012 128 11XY 0.00126 -0.00152 0.00000 0.00000 0.00224 129 11XZ 0.00000 0.00000 -0.00104 -0.00578 0.00003 130 11YZ 0.00000 0.00000 -0.00135 -0.00440 0.00002 131 12XX -0.00103 0.00112 0.00000 0.00000 0.01999 132 12YY 0.01429 -0.01238 0.00000 0.00000 -0.01438 133 12ZZ 0.00671 -0.00697 0.00000 0.00000 0.00193 134 12XY -0.00019 0.00083 0.00000 0.00000 -0.00660 135 12XZ 0.00000 0.00000 0.00255 0.01896 -0.00009 136 12YZ 0.00000 0.00000 0.00344 0.01436 -0.00008 137 7 Cl 1S 0.00206 0.00000 0.00000 -0.00221 -0.00091 138 2S -0.00997 0.00000 0.00000 0.01033 0.00452 139 2PX 0.00000 -0.03376 -0.03246 0.00001 0.00026 140 2PY 0.00001 0.03788 0.05936 0.00000 0.00016 141 2PZ 0.03194 0.00000 0.00000 -0.01273 -0.01053 142 3S 0.01923 0.00000 0.00000 -0.02202 -0.00833 143 3PX 0.00001 0.08751 0.08426 -0.00002 -0.00067 144 3PY -0.00002 -0.09799 -0.15491 0.00000 -0.00043 145 3PZ -0.08360 0.00001 0.00001 0.03425 0.02786 146 4S 0.05973 -0.00001 0.00000 -0.04269 -0.03142 147 4PX 0.00000 0.06023 0.05662 -0.00001 -0.00039 148 4PY -0.00001 -0.06111 -0.08198 0.00000 -0.00016 149 4PZ -0.05649 0.00001 0.00000 0.02004 0.02149 150 5XX -0.00197 0.00000 0.00000 0.00737 0.00330 151 5YY -0.00499 0.00000 0.00000 -0.00220 -0.00067 152 5ZZ 0.00449 0.00000 0.00000 -0.00267 -0.00130 153 5XY -0.00025 0.00000 0.00000 0.00272 0.00391 154 5XZ 0.00000 -0.00046 -0.00328 0.00000 0.00001 155 5YZ 0.00000 0.00051 0.00262 0.00000 0.00000 156 8 Cl 1S 0.00206 0.00000 0.00000 0.00221 -0.00091 157 2S -0.00997 0.00000 0.00000 -0.01033 0.00452 158 2PX 0.00000 -0.03376 0.03246 -0.00001 -0.00023 159 2PY 0.00001 0.03788 -0.05935 0.00000 -0.00014 160 2PZ -0.03194 0.00000 0.00000 -0.01273 0.01053 161 3S 0.01923 0.00000 0.00000 0.02202 -0.00833 162 3PX 0.00000 0.08751 -0.08425 0.00001 0.00062 163 3PY -0.00002 -0.09800 0.15490 0.00000 0.00036 164 3PZ 0.08360 -0.00001 0.00001 0.03425 -0.02786 165 4S 0.05973 0.00000 0.00000 0.04269 -0.03142 166 4PX 0.00000 0.06023 -0.05662 0.00001 0.00035 167 4PY -0.00001 -0.06112 0.08197 0.00000 0.00012 168 4PZ 0.05648 -0.00001 0.00001 0.02004 -0.02149 169 5XX -0.00197 0.00000 0.00000 -0.00737 0.00330 170 5YY -0.00499 0.00000 0.00000 0.00220 -0.00067 171 5ZZ 0.00449 0.00000 0.00000 0.00267 -0.00130 172 5XY -0.00025 0.00000 0.00000 -0.00272 0.00391 173 5XZ 0.00000 0.00046 -0.00328 0.00000 0.00001 174 5YZ 0.00000 -0.00051 0.00262 0.00000 0.00000 81 82 83 84 85 O O V V V Eigenvalues -- -0.31972 -0.31762 -0.05287 -0.03703 -0.02562 1 1 Al 1S 0.00000 0.00041 0.03386 -0.04403 -0.00002 2 2S -0.00001 -0.00348 -0.16269 0.17481 0.00006 3 2PX 0.00003 0.00595 0.00815 -0.05142 0.00000 4 2PY -0.00003 -0.00746 -0.00734 0.02845 0.00000 5 2PZ 0.01114 0.00000 0.00000 0.00006 -0.14396 6 3S -0.00004 -0.00269 0.46089 -0.78364 -0.00027 7 3PX -0.00005 -0.01526 -0.03644 0.21251 0.00001 8 3PY 0.00009 0.01922 0.02164 -0.10160 0.00000 9 3PZ -0.02812 0.00000 0.00001 -0.00019 0.49721 10 4S 0.00006 0.05481 0.76256 -0.46137 -0.00020 11 4PX -0.00012 -0.04456 0.09389 0.07746 -0.00005 12 4PY 0.00026 0.05875 -0.04508 -0.01837 0.00003 13 4PZ -0.04455 0.00000 -0.00001 -0.00017 0.51870 14 5XX -0.00018 -0.02080 -0.01895 -0.00533 0.00000 15 5YY 0.00018 0.02816 -0.03309 0.03021 0.00001 16 5ZZ -0.00001 -0.00579 0.05511 -0.01320 -0.00001 17 5XY -0.00005 -0.00134 -0.01159 0.02856 0.00001 18 5XZ -0.03049 0.00000 -0.00001 0.00000 0.02822 19 5YZ -0.01686 0.00000 0.00000 0.00000 -0.00887 20 2 Al 1S 0.00000 -0.00041 0.03386 0.04404 0.00002 21 2S -0.00001 0.00348 -0.16267 -0.17483 -0.00006 22 2PX -0.00003 0.00596 -0.00814 -0.05142 0.00000 23 2PY 0.00003 -0.00746 0.00733 0.02845 0.00000 24 2PZ -0.01114 0.00000 0.00000 0.00005 -0.14395 25 3S -0.00004 0.00270 0.46079 0.78370 0.00027 26 3PX 0.00005 -0.01527 0.03642 0.21253 0.00001 27 3PY -0.00009 0.01923 -0.02161 -0.10157 -0.00001 28 3PZ 0.02813 0.00000 -0.00001 -0.00017 0.49719 29 4S 0.00006 -0.05482 0.76249 0.46149 0.00020 30 4PX 0.00012 -0.04459 -0.09389 0.07743 -0.00004 31 4PY -0.00026 0.05878 0.04510 -0.01838 0.00002 32 4PZ 0.04457 0.00000 0.00001 -0.00015 0.51868 33 5XX -0.00018 0.02082 -0.01894 0.00534 0.00000 34 5YY 0.00018 -0.02819 -0.03309 -0.03022 -0.00001 35 5ZZ -0.00001 0.00579 0.05511 0.01321 0.00001 36 5XY -0.00005 0.00135 -0.01159 -0.02855 -0.00001 37 5XZ -0.03050 0.00000 -0.00001 0.00000 -0.02822 38 5YZ -0.01687 0.00000 0.00000 0.00000 0.00887 39 3 Cl 1S 0.00000 0.00044 -0.01229 0.00949 0.00000 40 2S -0.00001 -0.00252 0.05595 -0.04092 -0.00002 41 2PX -0.00037 -0.06553 -0.00538 0.01071 0.00000 42 2PY -0.00018 -0.02403 0.07164 -0.06545 -0.00003 43 2PZ -0.03498 0.00000 0.00000 -0.00002 0.05950 44 3S 0.00002 0.00363 -0.13166 0.10782 0.00005 45 3PX 0.00095 0.16776 0.01619 -0.02770 0.00001 46 3PY 0.00047 0.06165 -0.19120 0.17688 0.00007 47 3PZ 0.08868 0.00001 0.00000 0.00005 -0.15806 48 4S 0.00011 0.02335 -0.25794 0.13418 0.00008 49 4PX 0.00055 0.09891 0.00420 -0.04477 0.00001 50 4PY 0.00024 0.03280 -0.23164 0.18165 0.00008 51 4PZ 0.06012 0.00000 0.00001 0.00006 -0.17956 52 5XX -0.00001 -0.00254 -0.00304 0.00710 0.00000 53 5YY 0.00001 0.00046 0.01702 -0.02197 -0.00001 54 5ZZ 0.00000 -0.00056 -0.00024 0.00867 0.00000 55 5XY 0.00001 0.00207 -0.00075 0.00781 0.00000 56 5XZ -0.00090 0.00000 0.00000 0.00000 -0.00168 57 5YZ 0.00138 0.00000 0.00000 -0.00001 0.03431 58 4 Cl 1S 0.00000 -0.00044 -0.01229 -0.00949 0.00000 59 2S -0.00001 0.00252 0.05595 0.04093 0.00002 60 2PX 0.00037 -0.06558 0.00539 0.01071 0.00000 61 2PY 0.00018 -0.02406 -0.07163 -0.06546 -0.00002 62 2PZ 0.03499 0.00000 0.00000 -0.00002 0.05950 63 3S 0.00002 -0.00363 -0.13164 -0.10784 -0.00005 64 3PX -0.00095 0.16788 -0.01621 -0.02773 0.00001 65 3PY -0.00047 0.06172 0.19118 0.17690 0.00007 66 3PZ -0.08871 0.00001 0.00000 0.00005 -0.15806 67 4S 0.00011 -0.02336 -0.25793 -0.13420 -0.00007 68 4PX -0.00055 0.09898 -0.00423 -0.04479 0.00000 69 4PY -0.00024 0.03285 0.23162 0.18168 0.00008 70 4PZ -0.06014 0.00000 -0.00001 0.00005 -0.17955 71 5XX -0.00001 0.00254 -0.00304 -0.00710 0.00000 72 5YY 0.00001 -0.00046 0.01702 0.02198 0.00001 73 5ZZ 0.00000 0.00056 -0.00024 -0.00867 0.00000 74 5XY 0.00001 -0.00207 -0.00075 -0.00781 0.00000 75 5XZ -0.00090 0.00000 0.00000 0.00000 0.00169 76 5YZ 0.00138 0.00000 0.00000 0.00001 -0.03431 77 5 Br 1S 0.00000 0.00006 0.00830 -0.00640 0.00000 78 2S 0.00000 -0.00007 -0.05463 0.04321 0.00002 79 3S 0.00000 -0.00053 0.06448 -0.05307 -0.00002 80 4S 0.00001 0.00113 0.11894 -0.09101 -0.00004 81 5S 0.00002 0.01208 -0.07332 0.11231 0.00004 82 6S -0.00009 -0.03840 -0.31453 0.07343 0.00006 83 7PX -0.00021 -0.04430 0.02415 -0.02373 -0.00001 84 7PY 0.00032 0.05542 0.01986 -0.01628 -0.00001 85 7PZ -0.07375 0.00000 0.00000 0.00001 -0.02424 86 8PX 0.00065 0.13651 -0.07490 0.07362 0.00002 87 8PY -0.00099 -0.17074 -0.06151 0.05056 0.00003 88 8PZ 0.22721 0.00001 0.00000 -0.00003 0.07516 89 9PX -0.00118 -0.24861 0.13982 -0.13832 -0.00004 90 9PY 0.00179 0.30964 0.11153 -0.09708 -0.00005 91 9PZ -0.41113 -0.00002 0.00000 0.00005 -0.13830 92 10PX -0.00098 -0.19891 0.21911 -0.19943 -0.00007 93 10PY 0.00149 0.25871 0.19842 -0.12225 -0.00008 94 10PZ -0.34663 -0.00002 0.00001 0.00007 -0.21409 95 11XX -0.00003 -0.00458 -0.03272 0.03354 0.00001 96 11YY 0.00003 0.00484 -0.02958 0.02317 0.00001 97 11ZZ 0.00000 0.00075 -0.02460 0.01585 0.00001 98 11XY 0.00001 0.00150 -0.00960 0.01262 0.00001 99 11XZ -0.00476 0.00000 0.00000 -0.00001 0.01647 100 11YZ -0.00415 0.00000 0.00000 0.00000 0.01458 101 12XX 0.00011 0.02391 0.01313 -0.00223 0.00000 102 12YY -0.00008 -0.00873 0.00631 0.02208 0.00000 103 12ZZ 0.00001 0.00505 0.00117 0.04225 0.00001 104 12XY -0.00004 -0.00519 0.01853 -0.03098 -0.00001 105 12XZ 0.01682 0.00000 0.00000 0.00001 -0.04332 106 12YZ 0.01437 0.00000 0.00000 0.00001 -0.04076 107 6 Br 1S 0.00000 -0.00006 0.00830 0.00641 0.00000 108 2S 0.00000 0.00007 -0.05462 -0.04322 -0.00002 109 3S 0.00000 0.00053 0.06447 0.05308 0.00002 110 4S 0.00001 -0.00113 0.11892 0.09103 0.00004 111 5S 0.00002 -0.01208 -0.07331 -0.11231 -0.00004 112 6S -0.00009 0.03841 -0.31449 -0.07351 -0.00006 113 7PX 0.00021 -0.04433 -0.02415 -0.02373 -0.00001 114 7PY -0.00032 0.05545 -0.01986 -0.01629 -0.00001 115 7PZ 0.07377 0.00000 0.00000 0.00001 -0.02424 116 8PX -0.00065 0.13661 0.07488 0.07363 0.00002 117 8PY 0.00099 -0.17084 0.06151 0.05058 0.00002 118 8PZ -0.22728 0.00001 0.00000 -0.00002 0.07515 119 9PX 0.00118 -0.24879 -0.13978 -0.13833 -0.00004 120 9PY -0.00179 0.30982 -0.11153 -0.09711 -0.00005 121 9PZ 0.41125 -0.00002 0.00000 0.00004 -0.13829 122 10PX 0.00098 -0.19906 -0.21905 -0.19945 -0.00007 123 10PY -0.00149 0.25886 -0.19842 -0.12231 -0.00007 124 10PZ 0.34673 -0.00002 -0.00001 0.00006 -0.21409 125 11XX -0.00003 0.00459 -0.03271 -0.03355 -0.00001 126 11YY 0.00003 -0.00484 -0.02958 -0.02318 -0.00001 127 11ZZ 0.00000 -0.00075 -0.02460 -0.01586 -0.00001 128 11XY 0.00001 -0.00150 -0.00960 -0.01263 0.00000 129 11XZ -0.00477 0.00000 0.00000 0.00000 -0.01647 130 11YZ -0.00415 0.00000 0.00000 0.00000 -0.01458 131 12XX 0.00011 -0.02393 0.01313 0.00222 0.00000 132 12YY -0.00008 0.00874 0.00632 -0.02207 0.00000 133 12ZZ 0.00001 -0.00505 0.00117 -0.04225 -0.00001 134 12XY -0.00004 0.00519 0.01853 0.03098 0.00001 135 12XZ 0.01683 0.00000 0.00000 -0.00001 0.04331 136 12YZ 0.01438 0.00000 0.00000 -0.00001 0.04076 137 7 Cl 1S -0.00001 0.00000 -0.01970 0.00000 -0.01729 138 2S 0.00003 0.00000 0.08530 -0.00002 0.08057 139 2PX -0.04557 0.03041 0.00000 -0.09793 -0.00003 140 2PY -0.02797 0.03796 -0.00001 0.03642 0.00001 141 2PZ -0.00006 0.00000 -0.06575 0.00000 -0.01818 142 3S -0.00005 0.00000 -0.22513 0.00004 -0.18605 143 3PX 0.11957 -0.07895 -0.00001 0.26073 0.00009 144 3PY 0.07427 -0.09894 0.00002 -0.09642 -0.00002 145 3PZ 0.00015 -0.00001 0.17664 0.00000 0.04857 146 4S -0.00017 0.00001 -0.29931 0.00008 -0.44770 147 4PX 0.06914 -0.05499 -0.00001 0.33663 0.00012 148 4PY 0.02696 -0.05502 0.00002 -0.13352 -0.00003 149 4PZ 0.00011 -0.00001 0.23919 0.00000 0.12973 150 5XX 0.00002 0.00000 0.02479 -0.00001 0.04853 151 5YY 0.00000 0.00000 -0.01077 0.00000 -0.00205 152 5ZZ -0.00001 0.00000 0.00164 0.00001 -0.01763 153 5XY 0.00002 0.00000 -0.01849 0.00001 -0.02658 154 5XZ -0.00230 -0.00063 -0.00001 0.07176 0.00002 155 5YZ 0.00026 -0.00049 0.00000 -0.02674 -0.00001 156 8 Cl 1S 0.00000 0.00000 -0.01970 -0.00001 0.01729 157 2S 0.00002 0.00000 0.08530 0.00003 -0.08057 158 2PX 0.04557 0.03041 0.00001 -0.09792 -0.00003 159 2PY 0.02797 0.03796 -0.00001 0.03642 0.00002 160 2PZ 0.00005 0.00000 0.06575 0.00001 -0.01817 161 3S -0.00004 0.00000 -0.22513 -0.00008 0.18605 162 3PX -0.11957 -0.07894 -0.00002 0.26073 0.00009 163 3PY -0.07427 -0.09894 0.00002 -0.09642 -0.00005 164 3PZ -0.00015 0.00001 -0.17664 -0.00002 0.04856 165 4S -0.00016 0.00001 -0.29932 -0.00013 0.44770 166 4PX -0.06914 -0.05499 -0.00003 0.33662 0.00011 167 4PY -0.02696 -0.05502 0.00002 -0.13352 -0.00006 168 4PZ -0.00011 0.00001 -0.23920 -0.00004 0.12972 169 5XX 0.00002 0.00000 0.02479 0.00002 -0.04854 170 5YY 0.00000 0.00000 -0.01077 0.00000 0.00205 171 5ZZ -0.00001 0.00000 0.00164 -0.00001 0.01764 172 5XY 0.00002 0.00000 -0.01849 -0.00001 0.02659 173 5XZ -0.00230 0.00063 0.00000 -0.07176 -0.00002 174 5YZ 0.00026 0.00049 0.00000 0.02674 0.00001 86 87 88 89 90 V V V V V Eigenvalues -- 0.01779 0.02225 0.03209 0.03651 0.05698 1 1 Al 1S -0.00399 -0.00208 0.00000 -0.00255 -0.00239 2 2S -0.02219 0.02096 -0.00001 -0.00002 -0.00014 3 2PX -0.10549 -0.10508 0.00005 -0.05299 0.05548 4 2PY 0.06056 0.05584 -0.00003 -0.07139 0.09745 5 2PZ -0.00001 0.00007 0.13680 0.00000 0.00000 6 3S -0.25835 0.02766 -0.00005 -0.09676 -0.09557 7 3PX 0.40171 0.36554 -0.00017 0.20318 -0.21135 8 3PY -0.22770 -0.19842 0.00011 0.27022 -0.36993 9 3PZ 0.00004 -0.00026 -0.48986 0.00001 0.00000 10 4S 0.47209 -0.01057 0.00008 0.07533 0.12988 11 4PX 0.65872 0.64406 -0.00035 0.51165 -0.61614 12 4PY -0.40479 -0.34289 0.00022 0.74956 -1.24389 13 4PZ 0.00006 -0.00027 -0.74813 0.00002 -0.00002 14 5XX 0.01890 -0.02710 0.00001 -0.05729 0.06258 15 5YY -0.03973 -0.07501 0.00005 0.06031 -0.03956 16 5ZZ 0.03552 0.09002 -0.00005 0.00421 -0.00757 17 5XY -0.00709 -0.01347 0.00001 -0.06917 0.05272 18 5XZ 0.00000 -0.00002 -0.06933 0.00000 0.00000 19 5YZ 0.00000 0.00001 0.02378 0.00000 0.00001 20 2 Al 1S 0.00399 -0.00208 0.00000 0.00255 -0.00239 21 2S 0.02219 0.02096 -0.00001 0.00002 -0.00013 22 2PX -0.10549 0.10508 -0.00004 -0.05300 -0.05547 23 2PY 0.06053 -0.05586 0.00002 -0.07138 -0.09746 24 2PZ -0.00002 -0.00007 -0.13680 0.00000 0.00000 25 3S 0.25835 0.02764 -0.00010 0.09671 -0.09562 26 3PX 0.40172 -0.36553 0.00014 0.20322 0.21135 27 3PY -0.22759 0.19852 -0.00008 0.27019 0.36996 28 3PZ 0.00008 0.00026 0.48987 0.00000 0.00000 29 4S -0.47207 -0.01055 0.00008 -0.07529 0.12971 30 4PX 0.65872 -0.64405 0.00029 0.51177 0.61577 31 4PY -0.40461 0.34307 -0.00016 0.74942 1.24411 32 4PZ 0.00013 0.00030 0.74815 0.00001 0.00002 33 5XX -0.01889 -0.02707 0.00002 0.05726 0.06259 34 5YY 0.03971 -0.07504 0.00004 -0.06028 -0.03955 35 5ZZ -0.03551 0.09002 -0.00004 -0.00422 -0.00759 36 5XY 0.00709 -0.01343 0.00001 0.06920 0.05273 37 5XZ -0.00001 -0.00002 -0.06933 0.00000 0.00000 38 5YZ 0.00000 0.00001 0.02376 0.00000 0.00001 39 3 Cl 1S -0.01221 -0.00543 0.00000 0.00981 -0.01422 40 2S 0.05707 0.02650 -0.00002 -0.04791 0.07237 41 2PX 0.03704 0.04975 -0.00003 0.04718 -0.03426 42 2PY 0.03457 0.02398 -0.00002 -0.01811 0.02468 43 2PZ 0.00000 -0.00003 -0.05587 0.00000 0.00000 44 3S -0.12967 -0.05584 0.00003 0.10046 -0.13850 45 3PX -0.09803 -0.13208 0.00007 -0.12710 0.08787 46 3PY -0.09025 -0.06505 0.00004 0.04617 -0.06357 47 3PZ -0.00001 0.00007 0.14973 -0.00001 0.00001 48 4S -0.38725 -0.21880 0.00013 0.37828 -0.65109 49 4PX -0.12813 -0.17127 0.00008 -0.16618 0.18182 50 4PY -0.21097 -0.11298 0.00007 0.15002 -0.23443 51 4PZ -0.00001 0.00009 0.19422 -0.00001 0.00002 52 5XX 0.00215 -0.00813 0.00000 -0.01434 0.01357 53 5YY 0.00886 0.01581 -0.00001 -0.00654 0.00907 54 5ZZ 0.00736 0.00530 0.00000 -0.00084 0.01228 55 5XY 0.02911 0.03202 -0.00002 0.02853 -0.02998 56 5XZ 0.00000 0.00000 -0.00278 0.00000 0.00000 57 5YZ 0.00000 -0.00002 -0.04206 0.00000 0.00000 58 4 Cl 1S 0.01221 -0.00543 0.00000 -0.00980 -0.01422 59 2S -0.05706 0.02652 -0.00001 0.04790 0.07238 60 2PX 0.03703 -0.04973 0.00002 0.04719 0.03427 61 2PY 0.03457 -0.02400 0.00001 -0.01809 -0.02467 62 2PZ 0.00001 0.00003 0.05587 0.00000 0.00000 63 3S 0.12965 -0.05589 0.00002 -0.10043 -0.13854 64 3PX -0.09801 0.13204 -0.00006 -0.12714 -0.08789 65 3PY -0.09025 0.06510 -0.00004 0.04613 0.06355 66 3PZ -0.00002 -0.00007 -0.14973 -0.00001 -0.00001 67 4S 0.38718 -0.21897 0.00010 -0.37817 -0.65113 68 4PX -0.12810 0.17122 -0.00007 -0.16624 -0.18183 69 4PY -0.21095 0.11308 -0.00006 0.14995 0.23442 70 4PZ -0.00003 -0.00009 -0.19423 -0.00001 -0.00002 71 5XX -0.00214 -0.00813 0.00001 0.01435 0.01358 72 5YY -0.00886 0.01582 -0.00001 0.00652 0.00906 73 5ZZ -0.00736 0.00530 0.00000 0.00084 0.01228 74 5XY -0.02911 0.03201 -0.00001 -0.02854 -0.02998 75 5XZ 0.00000 0.00000 -0.00278 0.00000 0.00000 76 5YZ -0.00001 -0.00002 -0.04206 0.00000 0.00000 77 5 Br 1S 0.00584 0.00228 0.00000 0.00890 -0.00951 78 2S -0.03815 -0.01436 0.00001 -0.05739 0.06092 79 3S 0.04449 0.01558 -0.00001 0.06507 -0.06814 80 4S 0.08454 0.03410 -0.00001 0.13104 -0.14121 81 5S -0.01932 0.02613 -0.00001 0.03787 -0.11185 82 6S -0.36621 -0.25279 0.00011 -0.77769 1.05643 83 7PX -0.00549 -0.01041 0.00001 0.01627 -0.01621 84 7PY 0.02199 0.02050 -0.00001 -0.00171 -0.00231 85 7PZ 0.00000 0.00001 0.02278 0.00000 0.00000 86 8PX 0.01707 0.03233 -0.00002 -0.05039 0.05012 87 8PY -0.06817 -0.06357 0.00003 0.00548 0.00713 88 8PZ 0.00001 -0.00003 -0.07072 0.00000 0.00000 89 9PX -0.03466 -0.05959 0.00003 0.08531 -0.07802 90 9PY 0.12093 0.11528 -0.00006 -0.02008 -0.00885 91 9PZ -0.00001 0.00006 0.13057 0.00000 0.00000 92 10PX 0.00477 -0.08071 0.00005 0.27833 -0.34791 93 10PY 0.27756 0.22967 -0.00012 0.09772 -0.11474 94 10PZ -0.00002 0.00010 0.22948 0.00000 -0.00001 95 11XX 0.00026 0.01369 -0.00001 -0.03941 0.04405 96 11YY -0.03810 -0.02621 0.00001 -0.02175 0.01790 97 11ZZ -0.02171 -0.00811 0.00000 -0.02559 0.02867 98 11XY -0.00521 -0.00899 0.00001 0.00329 0.00571 99 11XZ 0.00000 -0.00001 -0.01869 0.00000 0.00000 100 11YZ 0.00000 -0.00001 -0.02098 0.00000 0.00000 101 12XX -0.04333 -0.03533 0.00002 0.08580 -0.12580 102 12YY 0.06705 0.07759 -0.00004 0.04028 -0.05461 103 12ZZ 0.03127 0.03032 -0.00001 0.05411 -0.09685 104 12XY 0.00711 0.02620 -0.00002 -0.02111 -0.00643 105 12XZ -0.00001 0.00002 0.05189 0.00000 0.00000 106 12YZ 0.00000 0.00003 0.06532 0.00000 0.00000 107 6 Br 1S -0.00584 0.00227 0.00000 -0.00890 -0.00951 108 2S 0.03815 -0.01435 0.00001 0.05739 0.06091 109 3S -0.04449 0.01557 -0.00001 -0.06507 -0.06813 110 4S -0.08454 0.03407 -0.00001 -0.13105 -0.14120 111 5S 0.01930 0.02611 -0.00001 -0.03785 -0.11190 112 6S 0.36626 -0.25258 0.00010 0.77769 1.05652 113 7PX -0.00549 0.01042 0.00000 0.01627 0.01621 114 7PY 0.02199 -0.02050 0.00001 -0.00170 0.00232 115 7PZ 0.00000 -0.00001 -0.02278 0.00000 0.00000 116 8PX 0.01707 -0.03236 0.00001 -0.05038 -0.05012 117 8PY -0.06816 0.06357 -0.00003 0.00545 -0.00714 118 8PZ 0.00001 0.00003 0.07072 0.00000 0.00000 119 9PX -0.03466 0.05964 -0.00002 0.08529 0.07802 120 9PY 0.12091 -0.11529 0.00006 -0.02003 0.00886 121 9PZ -0.00002 -0.00006 -0.13058 0.00000 0.00000 122 10PX 0.00478 0.08083 -0.00003 0.27828 0.34793 123 10PY 0.27754 -0.22966 0.00011 0.09782 0.11476 124 10PZ -0.00004 -0.00011 -0.22948 0.00001 0.00001 125 11XX -0.00026 0.01371 -0.00001 0.03941 0.04404 126 11YY 0.03810 -0.02621 0.00001 0.02176 0.01790 127 11ZZ 0.02171 -0.00811 0.00000 0.02559 0.02867 128 11XY 0.00521 -0.00899 0.00001 -0.00328 0.00572 129 11XZ 0.00000 -0.00001 -0.01869 0.00000 0.00000 130 11YZ 0.00000 -0.00001 -0.02098 0.00000 0.00000 131 12XX 0.04332 -0.03537 0.00001 -0.08578 -0.12582 132 12YY -0.06705 0.07759 -0.00004 -0.04029 -0.05463 133 12ZZ -0.03128 0.03030 -0.00001 -0.05411 -0.09687 134 12XY -0.00709 0.02619 -0.00002 0.02110 -0.00646 135 12XZ 0.00001 0.00002 0.05189 0.00000 0.00000 136 12YZ 0.00001 0.00003 0.06533 0.00000 0.00000 137 7 Cl 1S 0.00000 0.01538 -0.00001 0.00000 -0.00251 138 2S 0.00001 -0.07037 0.00004 0.00001 0.01249 139 2PX -0.00271 -0.00004 -0.08718 0.03129 0.00000 140 2PY -0.01671 0.00003 0.03236 0.08174 0.00001 141 2PZ 0.00000 0.08060 -0.00003 -0.00001 -0.00665 142 3S -0.00002 0.16874 -0.00009 -0.00003 -0.02537 143 3PX -0.00265 0.00011 0.24202 -0.08854 0.00001 144 3PY 0.05109 -0.00008 -0.08883 -0.22350 -0.00003 145 3PZ -0.00001 -0.22696 0.00009 0.00003 0.01719 146 4S -0.00008 0.49726 -0.00030 -0.00010 -0.11710 147 4PX 0.11505 0.00014 0.33677 -0.07825 -0.00001 148 4PY 0.00009 -0.00012 -0.13656 -0.28711 -0.00004 149 4PZ 0.00002 -0.30445 0.00014 0.00005 0.05578 150 5XX 0.00000 0.03029 -0.00001 0.00000 -0.05282 151 5YY 0.00000 0.00344 0.00000 0.00000 0.04958 152 5ZZ 0.00000 -0.05208 0.00002 0.00001 0.00825 153 5XY -0.00001 -0.02410 0.00002 0.00000 -0.05247 154 5XZ 0.05164 0.00001 0.02058 -0.00738 0.00000 155 5YZ -0.01086 -0.00002 -0.00769 -0.05610 -0.00001 156 8 Cl 1S 0.00000 0.01538 -0.00001 0.00000 -0.00251 157 2S -0.00002 -0.07037 0.00003 0.00001 0.01249 158 2PX -0.00270 0.00005 0.08719 0.03128 0.00000 159 2PY -0.01671 0.00000 -0.03236 0.08174 0.00000 160 2PZ -0.00001 -0.08060 0.00003 0.00001 0.00665 161 3S 0.00004 0.16875 -0.00008 -0.00002 -0.02537 162 3PX -0.00267 -0.00013 -0.24203 -0.08854 0.00001 163 3PY 0.05110 0.00001 0.08883 -0.22350 0.00000 164 3PZ 0.00002 0.22696 -0.00009 -0.00003 -0.01719 165 4S 0.00012 0.49729 -0.00028 -0.00006 -0.11710 166 4PX 0.11503 -0.00018 -0.33680 -0.07825 0.00000 167 4PY 0.00010 0.00002 0.13656 -0.28711 0.00002 168 4PZ 0.00005 0.30445 -0.00014 -0.00003 -0.05578 169 5XX -0.00001 0.03029 -0.00002 0.00000 -0.05282 170 5YY 0.00000 0.00344 0.00000 0.00000 0.04958 171 5ZZ 0.00000 -0.05208 0.00002 0.00000 0.00825 172 5XY 0.00000 -0.02410 0.00001 0.00000 -0.05247 173 5XZ -0.05164 0.00002 0.02059 0.00738 0.00000 174 5YZ 0.01086 0.00000 -0.00769 0.05610 0.00000 91 92 93 94 95 V V V V V Eigenvalues -- 0.08160 0.11842 0.12708 0.14900 0.15202 1 1 Al 1S -0.03792 0.00000 -0.01541 0.00000 -0.00899 2 2S 0.02944 -0.00001 0.01860 0.00001 0.00596 3 2PX 0.01680 0.00000 0.16738 0.00002 -0.01478 4 2PY -0.00293 0.00000 -0.00189 0.00005 -0.17629 5 2PZ -0.00001 0.16211 -0.00001 0.16027 0.00005 6 3S -1.33672 0.00004 -0.53317 0.00017 -0.31676 7 3PX -0.07396 0.00001 -0.81985 -0.00014 0.08003 8 3PY 0.02689 0.00000 0.02378 -0.00027 0.94569 9 3PZ 0.00003 -0.84479 0.00006 -0.84565 -0.00026 10 4S 1.53562 -0.00001 0.18384 -0.00039 0.17078 11 4PX 0.17978 -0.00007 1.01010 0.00026 0.03767 12 4PY 0.18677 0.00000 -0.16841 0.00015 -0.81169 13 4PZ 0.00005 1.11312 -0.00012 1.02539 0.00031 14 5XX 0.06730 0.00000 0.04672 0.00002 -0.06494 15 5YY 0.06539 0.00001 0.04431 -0.00002 0.07193 16 5ZZ 0.04524 0.00000 0.01845 0.00000 0.00020 17 5XY 0.00570 0.00001 0.05054 0.00002 -0.04964 18 5XZ 0.00001 0.08367 0.00000 -0.04722 -0.00002 19 5YZ 0.00000 -0.03927 0.00000 0.00724 -0.00001 20 2 Al 1S -0.03792 0.00000 0.01541 0.00000 0.00899 21 2S 0.02944 -0.00001 -0.01860 -0.00001 -0.00596 22 2PX -0.01680 0.00000 0.16736 0.00003 -0.01479 23 2PY 0.00293 0.00000 -0.00189 0.00005 -0.17629 24 2PZ 0.00001 -0.16211 -0.00002 0.16028 0.00005 25 3S -1.33672 -0.00002 0.53322 -0.00019 0.31678 26 3PX 0.07393 0.00001 -0.81978 -0.00016 0.08004 27 3PY -0.02689 0.00000 0.02379 -0.00026 0.94572 28 3PZ -0.00002 0.84477 0.00009 -0.84568 -0.00026 29 4S 1.53565 0.00011 -0.18387 0.00041 -0.17082 30 4PX -0.17971 0.00011 1.01007 0.00033 0.03769 31 4PY -0.18679 -0.00003 -0.16830 0.00015 -0.81170 32 4PZ -0.00005 -1.11310 -0.00014 1.02541 0.00031 33 5XX 0.06729 -0.00001 -0.04669 -0.00003 0.06492 34 5YY 0.06539 0.00001 -0.04433 0.00002 -0.07192 35 5ZZ 0.04524 0.00000 -0.01845 0.00001 -0.00019 36 5XY 0.00570 0.00001 -0.05054 -0.00001 0.04968 37 5XZ 0.00001 0.08367 0.00000 0.04722 0.00002 38 5YZ 0.00000 -0.03927 0.00000 -0.00725 0.00000 39 3 Cl 1S -0.00248 0.00000 -0.00251 0.00000 -0.00017 40 2S 0.00884 0.00000 0.00743 0.00000 -0.00601 41 2PX -0.00192 0.00000 -0.00201 0.00000 -0.00092 42 2PY -0.03476 0.00000 -0.01860 0.00002 -0.05788 43 2PZ 0.00000 0.01440 0.00000 0.01834 0.00001 44 3S -0.03229 -0.00001 -0.03736 0.00000 -0.01694 45 3PX 0.00967 0.00001 0.00921 0.00000 0.00774 46 3PY 0.10049 0.00000 0.05316 -0.00005 0.16012 47 3PZ -0.00001 -0.03840 0.00001 -0.05628 -0.00002 48 4S -0.12073 -0.00001 -0.06739 0.00004 -0.06898 49 4PX -0.03286 0.00001 -0.06684 -0.00001 -0.04304 50 4PY 0.03586 -0.00001 0.04189 -0.00006 0.26788 51 4PZ -0.00001 -0.09707 0.00001 -0.06009 -0.00003 52 5XX 0.02586 0.00000 0.02317 -0.00001 0.03958 53 5YY -0.05119 0.00000 -0.03991 0.00002 -0.09602 54 5ZZ 0.02084 0.00000 0.01070 -0.00001 0.03895 55 5XY 0.00764 0.00000 -0.02879 -0.00001 0.02587 56 5XZ 0.00000 0.00675 0.00000 -0.00080 0.00000 57 5YZ 0.00001 -0.01735 0.00000 -0.02717 0.00000 58 4 Cl 1S -0.00248 0.00000 0.00251 0.00000 0.00017 59 2S 0.00884 0.00000 -0.00742 0.00000 0.00602 60 2PX 0.00191 0.00001 -0.00201 0.00000 -0.00091 61 2PY 0.03476 0.00000 -0.01861 0.00002 -0.05788 62 2PZ 0.00000 -0.01440 0.00000 0.01833 0.00001 63 3S -0.03227 -0.00001 0.03734 0.00000 0.01693 64 3PX -0.00964 -0.00002 0.00921 -0.00001 0.00771 65 3PY -0.10050 0.00000 0.05319 -0.00005 0.16012 66 3PZ 0.00001 0.03841 0.00001 -0.05627 -0.00002 67 4S -0.12074 -0.00002 0.06737 -0.00004 0.06899 68 4PX 0.03286 -0.00002 -0.06686 -0.00002 -0.04308 69 4PY -0.03586 0.00001 0.04192 -0.00006 0.26788 70 4PZ 0.00001 0.09707 0.00001 -0.06009 -0.00002 71 5XX 0.02586 0.00000 -0.02318 0.00001 -0.03957 72 5YY -0.05119 0.00000 0.03993 -0.00002 0.09602 73 5ZZ 0.02084 0.00000 -0.01071 0.00001 -0.03895 74 5XY 0.00766 0.00000 0.02878 0.00001 -0.02590 75 5XZ 0.00000 0.00675 0.00000 0.00079 0.00000 76 5YZ 0.00001 -0.01734 0.00000 0.02717 0.00000 77 5 Br 1S 0.00358 0.00000 0.00060 0.00000 0.00053 78 2S -0.02365 0.00000 -0.00476 0.00000 -0.00327 79 3S 0.02807 0.00000 0.00736 0.00000 0.00328 80 4S 0.05194 0.00000 0.00728 0.00000 0.00849 81 5S 0.03275 -0.00001 -0.02902 -0.00003 0.01197 82 6S -0.45988 0.00003 -0.10284 0.00006 0.00038 83 7PX -0.00791 0.00000 -0.01368 0.00000 0.00570 84 7PY -0.01046 0.00000 -0.01152 0.00000 0.00788 85 7PZ 0.00000 -0.00644 0.00000 -0.00722 0.00000 86 8PX 0.02472 0.00000 0.04250 0.00001 -0.01761 87 8PY 0.03271 0.00000 0.03593 0.00001 -0.02462 88 8PZ 0.00000 0.02004 0.00000 0.02267 0.00001 89 9PX -0.05475 0.00001 -0.07564 -0.00001 0.02613 90 9PY -0.07272 -0.00001 -0.07250 -0.00002 0.04897 91 9PZ -0.00001 -0.03619 0.00001 -0.05067 -0.00001 92 10PX 0.03302 0.00001 -0.18627 -0.00008 0.10007 93 10PY 0.00867 0.00000 -0.06603 -0.00004 0.11862 94 10PZ -0.00001 -0.11910 0.00001 -0.08428 -0.00002 95 11XX -0.00108 0.00000 0.00375 0.00001 -0.02946 96 11YY -0.00747 0.00000 0.01009 0.00000 0.01455 97 11ZZ -0.02921 0.00000 -0.02417 -0.00001 0.01056 98 11XY 0.03094 0.00000 0.04441 0.00001 -0.01615 99 11XZ 0.00000 -0.01104 0.00000 -0.01210 -0.00001 100 11YZ 0.00000 -0.00359 0.00000 -0.01266 0.00000 101 12XX -0.01679 0.00000 -0.02909 -0.00004 0.10905 102 12YY 0.00631 -0.00001 -0.06904 0.00000 -0.05272 103 12ZZ 0.07814 -0.00001 0.04416 0.00000 -0.02404 104 12XY -0.10450 0.00000 -0.14164 -0.00003 0.04247 105 12XZ -0.00001 0.04678 -0.00001 0.04945 0.00002 106 12YZ -0.00001 0.01611 -0.00001 0.05130 0.00002 107 6 Br 1S 0.00358 0.00000 -0.00060 0.00000 -0.00053 108 2S -0.02365 0.00000 0.00477 0.00000 0.00327 109 3S 0.02807 0.00000 -0.00738 0.00000 -0.00329 110 4S 0.05194 0.00000 -0.00730 0.00000 -0.00850 111 5S 0.03273 0.00000 0.02908 0.00002 -0.01196 112 6S -0.45984 0.00001 0.10278 -0.00002 -0.00040 113 7PX 0.00791 0.00000 -0.01368 0.00000 0.00570 114 7PY 0.01046 0.00000 -0.01152 0.00000 0.00789 115 7PZ 0.00000 0.00644 0.00000 -0.00722 0.00000 116 8PX -0.02471 0.00000 0.04249 0.00001 -0.01761 117 8PY -0.03272 -0.00001 0.03593 0.00001 -0.02463 118 8PZ 0.00000 -0.02004 0.00000 0.02267 0.00000 119 9PX 0.05474 -0.00001 -0.07561 -0.00002 0.02613 120 9PY 0.07272 0.00001 -0.07251 -0.00001 0.04899 121 9PZ 0.00001 0.03618 0.00001 -0.05068 -0.00001 122 10PX -0.03303 -0.00002 -0.18621 -0.00008 0.10008 123 10PY -0.00868 0.00001 -0.06604 -0.00003 0.11866 124 10PZ 0.00001 0.11910 0.00001 -0.08428 -0.00002 125 11XX -0.00109 0.00000 -0.00373 -0.00001 0.02946 126 11YY -0.00746 0.00000 -0.01010 0.00000 -0.01454 127 11ZZ -0.02921 0.00000 0.02418 0.00001 -0.01056 128 11XY 0.03094 0.00000 -0.04441 -0.00001 0.01616 129 11XZ 0.00000 -0.01104 0.00000 0.01209 0.00001 130 11YZ 0.00000 -0.00359 0.00000 0.01266 0.00000 131 12XX -0.01678 0.00000 0.02906 0.00004 -0.10904 132 12YY 0.00628 -0.00001 0.06910 -0.00001 0.05271 133 12ZZ 0.07813 0.00000 -0.04413 0.00000 0.02405 134 12XY -0.10450 -0.00001 0.14163 0.00003 -0.04251 135 12XZ -0.00001 0.04678 0.00001 -0.04944 -0.00002 136 12YZ -0.00001 0.01611 0.00001 -0.05131 -0.00002 137 7 Cl 1S -0.00265 0.00000 0.00000 -0.00303 0.00000 138 2S 0.02274 0.00001 0.00000 0.01307 0.00001 139 2PX 0.00001 -0.02605 0.02036 0.00000 0.00877 140 2PY 0.00000 0.00785 -0.01224 0.00000 0.00244 141 2PZ 0.04995 0.00000 -0.00001 0.06600 0.00002 142 3S -0.00257 -0.00001 0.00000 -0.03511 -0.00002 143 3PX -0.00002 0.06652 -0.05382 0.00001 -0.02897 144 3PY 0.00000 -0.01767 0.03489 0.00000 -0.01076 145 3PZ -0.15634 -0.00001 0.00003 -0.20195 -0.00005 146 4S -0.45014 -0.00011 0.00007 -0.34315 -0.00008 147 4PX -0.00003 0.06060 -0.12449 -0.00002 0.01555 148 4PY 0.00002 -0.03057 0.02138 -0.00003 0.09982 149 4PZ 0.08824 0.00007 -0.00001 -0.11133 -0.00004 150 5XX 0.00055 0.00001 0.00000 -0.03555 -0.00001 151 5YY 0.03820 0.00000 0.00000 0.04139 0.00001 152 5ZZ -0.01601 0.00000 0.00000 -0.00612 0.00000 153 5XY 0.03181 0.00000 -0.00001 0.03937 0.00000 154 5XZ -0.00001 0.11164 -0.03544 -0.00001 -0.02171 155 5YZ 0.00000 -0.04410 0.03221 0.00002 -0.04469 156 8 Cl 1S -0.00265 0.00000 0.00000 0.00303 0.00000 157 2S 0.02274 0.00001 0.00000 -0.01307 0.00000 158 2PX -0.00001 0.02605 0.02036 0.00000 0.00878 159 2PY 0.00000 -0.00785 -0.01224 0.00000 0.00244 160 2PZ -0.04995 0.00000 -0.00001 0.06600 0.00002 161 3S -0.00257 -0.00001 0.00000 0.03511 0.00000 162 3PX 0.00001 -0.06651 -0.05383 0.00001 -0.02897 163 3PY -0.00001 0.01767 0.03489 0.00001 -0.01076 164 3PZ 0.15634 0.00000 0.00002 -0.20194 -0.00008 165 4S -0.45015 -0.00010 -0.00005 0.34311 0.00013 166 4PX 0.00003 -0.06059 -0.12450 -0.00001 0.01554 167 4PY -0.00001 0.03057 0.02138 -0.00003 0.09982 168 4PZ -0.08824 -0.00006 -0.00001 -0.11134 -0.00003 169 5XX 0.00055 0.00000 -0.00001 0.03556 0.00002 170 5YY 0.03820 0.00001 0.00001 -0.04139 -0.00002 171 5ZZ -0.01601 0.00000 0.00001 0.00611 0.00000 172 5XY 0.03181 -0.00001 0.00000 -0.03937 -0.00001 173 5XZ 0.00000 0.11164 0.03545 0.00001 0.02171 174 5YZ 0.00000 -0.04410 -0.03221 -0.00002 0.04469 96 97 98 99 100 V V V V V Eigenvalues -- 0.16801 0.17976 0.19320 0.26131 0.29494 1 1 Al 1S 0.00608 -0.00292 0.01473 -0.00149 0.00000 2 2S 0.01571 0.01736 0.13145 -0.00840 0.00000 3 2PX 0.16164 0.03987 0.01760 -0.03382 0.00000 4 2PY 0.04314 -0.16632 -0.02275 -0.00337 0.00000 5 2PZ 0.00001 0.00001 -0.00002 0.00000 0.02463 6 3S 0.28958 -0.03211 1.20200 -0.11344 0.00001 7 3PX -0.87957 -0.25758 -0.23507 0.15964 -0.00001 8 3PY -0.20670 0.92628 0.18587 0.02060 0.00000 9 3PZ -0.00006 -0.00004 0.00009 -0.00001 -0.12615 10 4S -0.20672 0.01414 -4.10811 0.04899 0.00001 11 4PX 1.14699 0.22341 2.31388 -0.15278 -0.00003 12 4PY 0.50005 -1.29991 -0.92018 0.01132 0.00002 13 4PZ 0.00005 0.00003 -0.00017 0.00007 -0.14351 14 5XX 0.10058 -0.00751 0.06606 0.44906 0.00002 15 5YY -0.02067 0.04205 -0.11790 -0.04028 0.00001 16 5ZZ -0.04237 -0.03700 -0.07132 -0.38040 -0.00002 17 5XY 0.00288 -0.06732 -0.10058 -0.22313 -0.00003 18 5XZ -0.00001 -0.00001 0.00001 -0.00003 0.22592 19 5YZ 0.00000 0.00000 0.00000 -0.00001 0.31975 20 2 Al 1S 0.00608 -0.00291 -0.01473 -0.00149 0.00000 21 2S 0.01570 0.01737 -0.13145 -0.00840 0.00000 22 2PX -0.16165 -0.03988 0.01761 0.03381 0.00000 23 2PY -0.04315 0.16632 -0.02274 0.00336 0.00000 24 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.02461 25 3S 0.28942 -0.03194 -1.20202 -0.11340 0.00002 26 3PX 0.87960 0.25767 -0.23511 -0.15961 0.00001 27 3PY 0.20671 -0.92626 0.18574 -0.02054 0.00000 28 3PZ 0.00002 0.00002 0.00006 0.00000 0.12608 29 4S -0.20633 0.01362 4.10814 0.04891 -0.00004 30 4PX -1.14686 -0.22373 2.31384 0.15274 0.00000 31 4PY -0.50012 1.30001 -0.92018 -0.01131 -0.00001 32 4PZ -0.00001 -0.00002 -0.00011 -0.00005 0.14357 33 5XX 0.10058 -0.00751 -0.06606 0.44909 0.00002 34 5YY -0.02066 0.04203 0.11791 -0.04031 0.00001 35 5ZZ -0.04236 -0.03701 0.07131 -0.38040 -0.00002 36 5XY 0.00288 -0.06734 0.10056 -0.22310 -0.00002 37 5XZ 0.00000 0.00000 -0.00001 -0.00001 0.22581 38 5YZ 0.00000 0.00000 0.00000 -0.00001 0.31951 39 3 Cl 1S 0.00449 0.00093 0.00528 -0.00199 0.00000 40 2S -0.01576 -0.00099 -0.03124 0.00170 0.00000 41 2PX 0.02230 0.03886 0.04903 0.02695 0.00000 42 2PY 0.01616 -0.05522 0.00943 0.00593 0.00000 43 2PZ 0.00000 0.00000 0.00000 0.00000 -0.06694 44 3S 0.06177 0.01961 0.04097 -0.04089 0.00001 45 3PX -0.06719 -0.12407 -0.13637 -0.08642 -0.00001 46 3PY -0.04850 0.15563 -0.04663 -0.02242 0.00000 47 3PZ 0.00000 0.00000 0.00001 -0.00001 0.22516 48 4S 0.12617 -0.28852 0.32745 0.06626 -0.00001 49 4PX -0.08473 -0.00445 -0.26634 0.01662 0.00001 50 4PY -0.00621 0.22486 0.26147 0.03359 0.00001 51 4PZ 0.00000 -0.00001 0.00000 0.00000 -0.07283 52 5XX -0.00558 0.03614 0.00463 0.00726 0.00000 53 5YY 0.02408 -0.08748 0.00232 -0.00060 0.00000 54 5ZZ -0.01391 0.05409 -0.02519 -0.01907 0.00000 55 5XY -0.02598 0.02473 0.03884 0.05839 0.00001 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.02321 57 5YZ 0.00000 0.00000 0.00000 0.00000 -0.07874 58 4 Cl 1S 0.00449 0.00093 -0.00528 -0.00199 0.00000 59 2S -0.01576 -0.00098 0.03123 0.00171 0.00000 60 2PX -0.02230 -0.03886 0.04904 -0.02695 0.00000 61 2PY -0.01615 0.05522 0.00944 -0.00593 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.06691 63 3S 0.06175 0.01958 -0.04098 -0.04090 0.00002 64 3PX 0.06719 0.12407 -0.13639 0.08643 0.00001 65 3PY 0.04849 -0.15561 -0.04665 0.02243 0.00000 66 3PZ 0.00000 0.00000 0.00001 0.00001 -0.22505 67 4S 0.12611 -0.28847 -0.32731 0.06624 0.00000 68 4PX 0.08471 0.00449 -0.26634 -0.01662 0.00000 69 4PY 0.00622 -0.22486 0.26137 -0.03354 -0.00001 70 4PZ 0.00000 0.00001 0.00000 0.00000 0.07280 71 5XX -0.00557 0.03613 -0.00462 0.00724 0.00000 72 5YY 0.02406 -0.08748 -0.00234 -0.00057 0.00000 73 5ZZ -0.01391 0.05408 0.02519 -0.01908 0.00000 74 5XY -0.02598 0.02474 -0.03884 0.05840 0.00001 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.02321 76 5YZ 0.00000 0.00000 0.00000 0.00000 -0.07868 77 5 Br 1S -0.00122 -0.00236 -0.00263 0.00444 0.00000 78 2S 0.01163 0.01681 0.01616 -0.03458 -0.00001 79 3S -0.02091 -0.02234 -0.01694 0.05171 0.00001 80 4S -0.01404 -0.03339 -0.03924 0.05927 0.00001 81 5S 0.23765 0.04569 -0.06729 -0.33775 -0.00007 82 6S -0.71882 0.13945 0.39583 0.59183 0.00014 83 7PX -0.02097 0.00120 -0.01133 -0.00594 0.00000 84 7PY 0.00038 0.01029 0.01543 0.00487 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 -0.01278 86 8PX 0.06573 -0.00372 0.03508 0.01885 0.00000 87 8PY -0.00147 -0.03226 -0.04836 -0.01508 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.04031 89 9PX -0.14398 0.00881 -0.04921 -0.05452 -0.00001 90 9PY 0.01718 0.07091 0.10688 0.02078 -0.00001 91 9PZ 0.00000 0.00000 0.00001 0.00000 -0.09969 92 10PX -0.12843 -0.04487 -0.34432 0.06187 0.00001 93 10PY -0.06709 0.09084 0.08442 0.07989 0.00000 94 10PZ 0.00000 0.00000 0.00001 0.00000 0.01709 95 11XX 0.03424 -0.01525 0.02022 0.00662 -0.00001 96 11YY 0.01286 0.02057 -0.02733 -0.07993 -0.00001 97 11ZZ -0.01575 0.02581 0.02850 -0.00055 0.00000 98 11XY 0.02890 -0.01255 -0.00509 -0.01236 0.00000 99 11XZ 0.00000 0.00000 0.00000 -0.00001 0.07063 100 11YZ 0.00000 0.00000 0.00000 -0.00001 0.02806 101 12XX 0.02247 0.11770 -0.06910 -0.26963 -0.00002 102 12YY 0.09156 -0.02833 0.08237 0.09285 -0.00002 103 12ZZ 0.18731 -0.03976 -0.13484 -0.23429 -0.00005 104 12XY -0.08458 0.03774 0.02553 0.03692 0.00000 105 12XZ 0.00000 0.00001 -0.00001 0.00002 -0.30625 106 12YZ 0.00000 0.00000 0.00000 0.00002 -0.11778 107 6 Br 1S -0.00122 -0.00236 0.00263 0.00444 0.00000 108 2S 0.01164 0.01681 -0.01616 -0.03457 -0.00001 109 3S -0.02093 -0.02234 0.01694 0.05170 0.00001 110 4S -0.01406 -0.03340 0.03925 0.05925 0.00001 111 5S 0.23776 0.04568 0.06738 -0.33772 -0.00009 112 6S -0.71903 0.13955 -0.39613 0.59179 0.00018 113 7PX 0.02097 -0.00119 -0.01133 0.00594 0.00000 114 7PY -0.00038 -0.01029 0.01543 -0.00487 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.01277 116 8PX -0.06573 0.00371 0.03508 -0.01885 0.00000 117 8PY 0.00146 0.03226 -0.04835 0.01508 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 -0.04029 119 9PX 0.14400 -0.00881 -0.04920 0.05452 0.00001 120 9PY -0.01718 -0.07091 0.10686 -0.02079 0.00001 121 9PZ 0.00000 0.00000 0.00001 0.00000 0.09964 122 10PX 0.12842 0.04492 -0.34439 -0.06183 0.00000 123 10PY 0.06710 -0.09084 0.08435 -0.07987 0.00000 124 10PZ 0.00000 0.00000 0.00001 0.00000 -0.01711 125 11XX 0.03424 -0.01525 -0.02022 0.00663 -0.00001 126 11YY 0.01287 0.02057 0.02733 -0.07993 -0.00001 127 11ZZ -0.01574 0.02582 -0.02850 -0.00054 0.00000 128 11XY 0.02890 -0.01255 0.00508 -0.01234 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.07059 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.02805 131 12XX 0.02253 0.11769 0.06913 -0.26964 -0.00003 132 12YY 0.09158 -0.02832 -0.08234 0.09288 -0.00003 133 12ZZ 0.18737 -0.03978 0.13489 -0.23427 -0.00006 134 12XY -0.08459 0.03776 -0.02549 0.03686 0.00000 135 12XZ 0.00000 0.00000 0.00001 0.00002 -0.30610 136 12YZ 0.00000 0.00000 0.00000 0.00001 -0.11775 137 7 Cl 1S -0.00491 -0.00184 0.00000 0.00184 0.00000 138 2S 0.01078 0.00195 0.00000 -0.00091 0.00000 139 2PX 0.00000 0.00000 -0.06488 0.00000 0.03678 140 2PY 0.00000 0.00000 0.02534 0.00000 0.10633 141 2PZ -0.05533 -0.02974 -0.00001 -0.05707 0.00000 142 3S -0.08764 -0.03846 -0.00002 0.04137 0.00001 143 3PX 0.00001 -0.00001 0.20784 0.00000 -0.15297 144 3PY 0.00000 0.00000 -0.07957 -0.00001 -0.37451 145 3PZ 0.16257 0.08858 0.00002 0.18867 -0.00001 146 4S 0.39993 0.26629 0.00001 -0.11485 -0.00005 147 4PX 0.00006 0.00000 0.30610 -0.00004 0.28772 148 4PY -0.00002 0.00001 -0.13581 0.00002 0.22653 149 4PZ 0.04051 0.01048 -0.00003 -0.06507 0.00003 150 5XX -0.01039 -0.00239 0.00000 -0.12320 0.00002 151 5YY -0.06607 -0.04750 0.00000 -0.00891 -0.00002 152 5ZZ 0.06914 0.04406 -0.00001 0.13963 0.00001 153 5XY -0.03568 -0.01064 0.00000 0.06476 0.00002 154 5XZ 0.00001 0.00001 -0.06271 0.00000 0.03115 155 5YZ 0.00000 0.00001 0.02024 0.00000 -0.06263 156 8 Cl 1S -0.00491 -0.00184 0.00000 0.00184 0.00000 157 2S 0.01078 0.00195 0.00000 -0.00092 0.00000 158 2PX 0.00000 0.00000 -0.06488 0.00001 -0.03678 159 2PY 0.00000 0.00000 0.02534 0.00001 -0.10633 160 2PZ 0.05533 0.02974 0.00000 0.05708 0.00001 161 3S -0.08764 -0.03846 0.00001 0.04137 0.00000 162 3PX 0.00000 -0.00001 0.20784 -0.00002 0.15297 163 3PY 0.00000 0.00001 -0.07958 -0.00003 0.37452 164 3PZ -0.16258 -0.08858 0.00002 -0.18868 -0.00002 165 4S 0.39994 0.26629 -0.00001 -0.11484 -0.00001 166 4PX 0.00000 -0.00004 0.30609 0.00005 -0.28773 167 4PY 0.00001 0.00001 -0.13581 0.00001 -0.22653 168 4PZ -0.04052 -0.01049 -0.00003 0.06508 0.00000 169 5XX -0.01039 -0.00239 0.00000 -0.12320 -0.00003 170 5YY -0.06607 -0.04751 0.00000 -0.00892 0.00002 171 5ZZ 0.06914 0.04406 0.00001 0.13963 0.00001 172 5XY -0.03568 -0.01064 0.00000 0.06476 -0.00002 173 5XZ 0.00000 0.00001 0.06271 0.00000 0.03115 174 5YZ -0.00001 0.00000 -0.02024 0.00000 -0.06263 101 102 103 104 105 V V V V V Eigenvalues -- 0.29694 0.31339 0.31442 0.33151 0.33777 1 1 Al 1S 0.00000 0.00439 0.00145 -0.00220 -0.00379 2 2S 0.00000 0.00916 0.00591 -0.00923 -0.07184 3 2PX 0.00000 0.00401 -0.00947 0.00981 0.01156 4 2PY 0.00000 0.03735 0.02995 -0.02485 -0.02215 5 2PZ -0.03408 0.00000 0.00000 0.00000 0.00001 6 3S -0.00001 0.21277 0.07912 -0.10514 -0.46159 7 3PX 0.00000 -0.01416 0.11513 -0.00174 -0.06211 8 3PY -0.00001 -0.30924 -0.31668 0.26974 0.23443 9 3PZ 0.18236 0.00003 0.00003 0.00001 -0.00005 10 4S -0.00003 0.10695 0.00627 -0.23147 0.97441 11 4PX 0.00000 0.22203 0.00630 0.04433 -0.54330 12 4PY 0.00002 -0.11797 -0.31811 -0.08448 0.35783 13 4PZ -0.07449 0.00000 0.00005 0.00001 0.00002 14 5XX 0.00002 -0.23190 -0.17300 0.09283 0.05123 15 5YY -0.00002 0.25805 0.36683 -0.19328 -0.33764 16 5ZZ 0.00000 -0.01199 -0.19300 0.02309 0.24540 17 5XY 0.00001 -0.21651 0.09378 0.39646 -0.20958 18 5XZ -0.23566 -0.00002 -0.00002 -0.00001 0.00000 19 5YZ -0.44648 -0.00004 0.00001 0.00002 0.00000 20 2 Al 1S 0.00000 -0.00439 0.00145 -0.00220 0.00379 21 2S 0.00000 -0.00916 0.00592 -0.00926 0.07183 22 2PX 0.00000 0.00400 0.00947 -0.00981 0.01156 23 2PY 0.00000 0.03734 -0.02996 0.02486 -0.02214 24 2PZ -0.03410 0.00000 0.00000 0.00000 0.00000 25 3S 0.00001 -0.21275 0.07919 -0.10536 0.46155 26 3PX 0.00000 -0.01414 -0.11519 0.00179 -0.06212 27 3PY 0.00002 -0.30918 0.31674 -0.26984 0.23431 28 3PZ 0.18244 0.00003 -0.00002 0.00000 -0.00004 29 4S 0.00003 -0.10699 0.00624 -0.23094 -0.97459 30 4PX 0.00000 0.22199 -0.00644 -0.04406 -0.54332 31 4PY 0.00002 -0.11788 0.31817 0.08433 0.35788 32 4PZ -0.07454 -0.00001 -0.00005 -0.00002 0.00001 33 5XX -0.00003 0.23183 -0.17309 0.09282 -0.05124 34 5YY 0.00003 -0.25793 0.36693 -0.19334 0.33757 35 5ZZ 0.00000 0.01192 -0.19301 0.02314 -0.24538 36 5XY -0.00002 0.21660 0.09368 0.39636 0.20967 37 5XZ 0.23568 0.00002 -0.00002 -0.00001 -0.00001 38 5YZ 0.44669 0.00004 0.00000 0.00003 0.00000 39 3 Cl 1S 0.00000 -0.01439 -0.01688 0.00641 0.00912 40 2S 0.00000 0.05650 0.06249 -0.03592 -0.04071 41 2PX 0.00000 0.03746 0.00745 -0.03801 0.00129 42 2PY 0.00000 -0.04845 -0.06001 0.04441 0.06611 43 2PZ 0.05434 0.00000 0.00000 0.00000 0.00000 44 3S 0.00001 -0.19048 -0.23200 0.05845 0.10947 45 3PX 0.00001 -0.13121 -0.03664 0.12907 0.00270 46 3PY -0.00001 0.21655 0.25704 -0.19817 -0.27647 47 3PZ -0.17912 -0.00002 0.00001 0.00000 0.00000 48 4S 0.00000 -0.18162 -0.18000 0.20620 0.14901 49 4PX -0.00001 0.08992 0.10563 -0.07814 -0.02719 50 4PY 0.00001 -0.63394 -0.66654 0.54981 0.60660 51 4PZ 0.04584 0.00002 0.00001 -0.00001 -0.00001 52 5XX 0.00000 -0.05843 -0.04092 0.05400 0.02721 53 5YY 0.00001 0.10279 0.08720 -0.11134 -0.09832 54 5ZZ -0.00001 -0.04162 -0.05209 0.03566 0.05968 55 5XY -0.00001 0.01861 -0.04159 -0.05946 0.05849 56 5XZ -0.02155 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.09557 0.00000 -0.00001 0.00000 0.00001 58 4 Cl 1S 0.00000 0.01439 -0.01688 0.00641 -0.00911 59 2S 0.00000 -0.05649 0.06250 -0.03593 0.04069 60 2PX 0.00000 0.03746 -0.00746 0.03800 0.00129 61 2PY 0.00001 -0.04844 0.06003 -0.04443 0.06609 62 2PZ 0.05438 0.00000 0.00000 0.00000 0.00000 63 3S -0.00002 0.19043 -0.23208 0.05846 -0.10939 64 3PX 0.00001 -0.13122 0.03670 -0.12908 0.00269 65 3PY -0.00002 0.21648 -0.25711 0.19824 -0.27635 66 3PZ -0.17924 -0.00002 0.00000 0.00000 0.00000 67 4S -0.00001 0.18158 -0.18002 0.20627 -0.14897 68 4PX -0.00001 0.08997 -0.10573 0.07820 -0.02724 69 4PY 0.00004 -0.63379 0.66672 -0.55000 0.60630 70 4PZ 0.04590 0.00002 -0.00001 0.00001 -0.00001 71 5XX 0.00000 0.05843 -0.04093 0.05403 -0.02717 72 5YY 0.00000 -0.10278 0.08722 -0.11139 0.09826 73 5ZZ 0.00000 0.04160 -0.05211 0.03568 -0.05966 74 5XY 0.00000 -0.01860 -0.04161 -0.05940 -0.05853 75 5XZ 0.02158 0.00000 0.00000 0.00000 0.00000 76 5YZ -0.09561 0.00000 -0.00001 0.00000 -0.00001 77 5 Br 1S 0.00000 -0.01132 0.00678 0.00942 -0.00779 78 2S -0.00001 0.09165 -0.05638 -0.07581 0.06413 79 3S 0.00001 -0.14285 0.09040 0.11745 -0.10166 80 4S 0.00001 -0.14832 0.08685 0.12411 -0.10148 81 5S -0.00007 1.01220 -0.72707 -0.75437 0.69899 82 6S 0.00014 -1.85815 1.43633 1.34422 -1.32667 83 7PX 0.00000 0.01863 -0.00894 -0.02600 0.02411 84 7PY 0.00000 0.01308 -0.00794 -0.01412 0.01348 85 7PZ 0.01401 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 -0.05959 0.02864 0.08338 -0.07733 87 8PY 0.00000 -0.04200 0.02518 0.04542 -0.04324 88 8PZ -0.04416 0.00000 0.00000 0.00000 0.00000 89 9PX -0.00001 0.19497 -0.09367 -0.28090 0.25793 90 9PY 0.00000 0.14441 -0.07058 -0.16366 0.14955 91 9PZ 0.10471 0.00001 0.00000 0.00000 0.00000 92 10PX 0.00000 -0.24883 0.06229 0.35379 -0.24520 93 10PY 0.00000 -0.17434 0.05254 0.25319 -0.22765 94 10PZ 0.02102 -0.00001 0.00000 0.00000 0.00000 95 11XX 0.00000 0.05437 -0.08310 -0.06350 0.09858 96 11YY -0.00001 0.09027 -0.01619 -0.06103 0.02811 97 11ZZ -0.00001 0.06130 -0.03182 -0.04444 0.02062 98 11XY 0.00000 0.03047 0.01433 -0.04142 0.01806 99 11XZ -0.06967 0.00000 0.00000 0.00000 0.00000 100 11YZ -0.03768 0.00000 0.00000 0.00000 0.00000 101 12XX -0.00006 0.50592 -0.13937 -0.31165 0.09354 102 12YY -0.00002 0.33386 -0.43084 -0.30409 0.40142 103 12ZZ -0.00001 0.44028 -0.35692 -0.34799 0.40759 104 12XY 0.00000 -0.10333 -0.07333 0.14038 -0.04581 105 12XZ 0.29665 0.00002 0.00001 0.00001 -0.00001 106 12YZ 0.15678 0.00001 0.00000 0.00001 0.00000 107 6 Br 1S 0.00000 0.01132 0.00677 0.00942 0.00779 108 2S 0.00001 -0.09168 -0.05635 -0.07578 -0.06416 109 3S -0.00001 0.14288 0.09036 0.11740 0.10171 110 4S -0.00001 0.14836 0.08681 0.12406 0.10154 111 5S 0.00008 -1.01246 -0.72676 -0.75399 -0.69941 112 6S -0.00015 1.85864 1.43573 1.34350 1.32750 113 7PX 0.00000 0.01863 0.00894 0.02599 0.02412 114 7PY 0.00000 0.01309 0.00794 0.01411 0.01348 115 7PZ 0.01402 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00001 -0.05961 -0.02862 -0.08334 -0.07736 117 8PY 0.00000 -0.04201 -0.02518 -0.04541 -0.04327 118 8PZ -0.04419 0.00000 0.00000 0.00000 0.00000 119 9PX -0.00002 0.19500 0.09361 0.28075 0.25801 120 9PY -0.00001 0.14445 0.07057 0.16363 0.14965 121 9PZ 0.10478 0.00001 0.00000 0.00001 0.00000 122 10PX 0.00001 -0.24885 -0.06224 -0.35364 -0.24527 123 10PY 0.00001 -0.17439 -0.05253 -0.25314 -0.22776 124 10PZ 0.02101 -0.00001 0.00000 -0.00001 -0.00001 125 11XX 0.00000 -0.05439 -0.08309 -0.06344 -0.09860 126 11YY 0.00001 -0.09029 -0.01616 -0.06103 -0.02815 127 11ZZ 0.00001 -0.06132 -0.03180 -0.04442 -0.02064 128 11XY 0.00000 -0.03046 0.01433 -0.04141 -0.01808 129 11XZ 0.06970 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.03770 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00007 -0.50601 -0.13917 -0.31162 -0.09374 132 12YY 0.00002 -0.33397 -0.43076 -0.30382 -0.40156 133 12ZZ 0.00002 -0.44040 -0.35679 -0.34781 -0.40778 134 12XY 0.00000 0.10329 -0.07331 0.14036 0.04589 135 12XZ -0.29677 -0.00002 0.00002 0.00001 0.00001 136 12YZ -0.15687 -0.00001 0.00000 0.00000 0.00001 137 7 Cl 1S -0.00402 0.00000 0.01668 0.00486 0.00000 138 2S 0.01689 0.00000 -0.05098 -0.01964 -0.00001 139 2PX 0.00000 0.02030 -0.00001 -0.00001 0.03708 140 2PY 0.00003 0.04641 0.00000 0.00000 -0.01294 141 2PZ 0.00018 -0.00001 -0.05988 -0.02584 -0.00001 142 3S -0.05277 0.00002 0.26410 0.06595 -0.00001 143 3PX 0.00000 -0.07222 0.00003 0.00002 -0.10549 144 3PY -0.00010 -0.16391 0.00000 0.00001 0.04210 145 3PZ -0.01402 0.00006 0.25112 0.10952 0.00006 146 4S -0.01102 0.00002 -0.04819 0.10019 0.00010 147 4PX 0.00003 0.04987 -0.00009 0.00003 -0.21138 148 4PY 0.00005 0.13267 0.00001 -0.00004 0.01521 149 4PZ 0.11858 -0.00007 -0.46634 -0.20799 -0.00010 150 5XX -0.04429 -0.00001 -0.01292 -0.02283 -0.00001 151 5YY 0.04702 0.00001 0.04535 0.05716 0.00002 152 5ZZ 0.00739 0.00000 -0.02564 -0.04236 -0.00001 153 5XY -0.10242 -0.00001 0.03500 -0.04937 -0.00002 154 5XZ 0.00001 -0.01150 -0.00001 0.00001 -0.07880 155 5YZ -0.00001 -0.05066 0.00001 -0.00001 0.00788 156 8 Cl 1S 0.00402 0.00000 0.01668 0.00486 0.00000 157 2S -0.01690 -0.00001 -0.05098 -0.01964 0.00000 158 2PX -0.00001 0.02030 0.00000 0.00000 0.03708 159 2PY -0.00004 0.04641 -0.00001 0.00000 -0.01295 160 2PZ 0.00018 0.00002 0.05989 0.02584 0.00000 161 3S 0.05277 0.00004 0.26409 0.06595 0.00002 162 3PX 0.00002 -0.07222 0.00000 0.00000 -0.10549 163 3PY 0.00013 -0.16392 0.00003 0.00001 0.04210 164 3PZ -0.01402 -0.00006 -0.25113 -0.10953 -0.00002 165 4S 0.01103 0.00002 -0.04816 0.10020 -0.00002 166 4PX -0.00003 0.04987 0.00004 0.00010 -0.21139 167 4PY -0.00012 0.13267 -0.00005 -0.00002 0.01520 168 4PZ 0.11858 0.00011 0.46636 0.20801 0.00001 169 5XX 0.04429 0.00000 -0.01292 -0.02283 0.00000 170 5YY -0.04702 0.00000 0.04535 0.05716 0.00001 171 5ZZ -0.00740 0.00000 -0.02564 -0.04236 -0.00001 172 5XY 0.10243 0.00001 0.03500 -0.04937 -0.00002 173 5XZ 0.00001 0.01149 0.00000 -0.00003 0.07880 174 5YZ -0.00002 0.05066 0.00000 0.00000 -0.00788 106 107 108 109 110 V V V V V Eigenvalues -- 0.37019 0.37254 0.38294 0.39163 0.41090 1 1 Al 1S 0.00000 0.00000 -0.00532 0.00192 0.00000 2 2S 0.00003 0.00000 0.00252 -0.08038 0.00000 3 2PX 0.00001 0.00000 -0.01131 -0.01196 0.00000 4 2PY 0.00000 0.00001 -0.01246 -0.00603 0.00000 5 2PZ -0.00202 -0.03919 -0.00002 0.00001 0.01983 6 3S 0.00010 0.00016 -0.25118 -0.19655 -0.00004 7 3PX -0.00010 0.00001 0.02634 0.14265 0.00003 8 3PY 0.00000 0.00001 -0.01258 0.06294 -0.00004 9 3PZ -0.03052 0.31118 0.00014 -0.00004 -0.04685 10 4S 0.00032 -0.00072 0.75746 -0.43241 0.00014 11 4PX -0.00009 0.00062 -0.97136 -0.17008 0.00010 12 4PY 0.00006 -0.00006 0.00294 -0.18940 0.00013 13 4PZ -0.67315 -0.30639 -0.00012 -0.00021 0.21139 14 5XX 0.00011 -0.00010 0.14606 -0.21397 0.00003 15 5YY 0.00007 -0.00003 0.03885 -0.18616 0.00004 16 5ZZ -0.00005 0.00002 -0.02547 0.10159 -0.00005 17 5XY 0.00000 0.00018 -0.35650 -0.06902 0.00002 18 5XZ 0.47664 -0.33233 -0.00020 0.00018 -0.05165 19 5YZ -0.26332 0.23588 0.00013 -0.00007 0.37037 20 2 Al 1S 0.00000 0.00000 0.00532 0.00192 0.00000 21 2S 0.00003 0.00000 -0.00254 -0.08038 0.00000 22 2PX -0.00001 0.00001 -0.01130 0.01196 0.00000 23 2PY 0.00000 0.00001 -0.01246 0.00604 -0.00001 24 2PZ 0.00204 -0.03918 -0.00002 0.00000 -0.01983 25 3S 0.00017 -0.00019 0.25111 -0.19660 -0.00004 26 3PX 0.00011 -0.00001 0.02630 -0.14264 -0.00003 27 3PY 0.00000 0.00001 -0.01263 -0.06297 0.00004 28 3PZ 0.03035 0.31118 0.00013 0.00003 0.04688 29 4S 0.00005 0.00069 -0.75754 -0.43232 0.00016 30 4PX -0.00012 0.00062 -0.97132 0.17025 -0.00012 31 4PY -0.00002 -0.00006 0.00289 0.18944 -0.00015 32 4PZ 0.67333 -0.30590 -0.00020 0.00023 -0.21146 33 5XX 0.00008 0.00007 -0.14615 -0.21392 0.00002 34 5YY 0.00007 0.00002 -0.03885 -0.18620 0.00004 35 5ZZ -0.00005 0.00000 0.02549 0.10160 -0.00005 36 5XY 0.00005 -0.00018 0.35652 -0.06911 0.00003 37 5XZ 0.47647 0.33266 0.00013 0.00016 -0.05164 38 5YZ -0.26306 -0.23611 -0.00011 -0.00006 0.37031 39 3 Cl 1S 0.00000 0.00001 -0.00925 -0.00231 0.00000 40 2S 0.00001 -0.00002 0.02029 -0.01437 0.00000 41 2PX 0.00000 0.00002 -0.05247 -0.01869 0.00001 42 2PY -0.00003 0.00004 -0.06427 0.07291 0.00000 43 2PZ -0.00196 -0.06229 -0.00004 0.00000 0.07417 44 3S -0.00001 0.00010 -0.16465 -0.08700 0.00000 45 3PX 0.00000 -0.00008 0.20122 0.07432 -0.00003 46 3PY 0.00013 -0.00015 0.24645 -0.29706 0.00001 47 3PZ 0.01288 0.22128 0.00014 0.00000 -0.29735 48 4S -0.00008 -0.00001 0.08256 0.28606 0.00000 49 4PX 0.00003 0.00002 -0.13681 -0.09641 0.00002 50 4PY -0.00023 0.00021 -0.30813 0.52388 -0.00004 51 4PZ 0.01830 -0.12842 -0.00009 0.00001 0.37073 52 5XX -0.00001 0.00001 -0.02033 0.01276 0.00000 53 5YY 0.00003 -0.00001 0.01388 -0.08498 0.00000 54 5ZZ -0.00002 0.00001 -0.01873 0.02451 0.00000 55 5XY -0.00001 -0.00004 0.07324 0.03308 0.00000 56 5XZ -0.00472 -0.00887 -0.00001 0.00000 0.00399 57 5YZ 0.06590 -0.05057 -0.00003 0.00002 -0.10471 58 4 Cl 1S 0.00000 -0.00001 0.00925 -0.00232 0.00000 59 2S 0.00001 0.00001 -0.02030 -0.01437 0.00000 60 2PX -0.00001 0.00002 -0.05246 0.01871 -0.00001 61 2PY 0.00003 0.00003 -0.06430 -0.07290 0.00000 62 2PZ 0.00201 -0.06229 -0.00004 0.00000 -0.07418 63 3S 0.00002 -0.00010 0.16458 -0.08705 0.00001 64 3PX 0.00003 -0.00008 0.20118 -0.07439 0.00004 65 3PY -0.00010 -0.00013 0.24657 0.29701 0.00000 66 3PZ -0.01303 0.22126 0.00013 -0.00002 0.29738 67 4S -0.00009 0.00003 -0.08241 0.28612 -0.00001 68 4PX -0.00004 0.00003 -0.13676 0.09650 -0.00003 69 4PY 0.00019 0.00018 -0.30833 -0.52384 0.00003 70 4PZ -0.01822 -0.12840 -0.00007 0.00000 -0.37074 71 5XX 0.00000 -0.00001 0.02036 0.01276 0.00000 72 5YY 0.00003 0.00001 -0.01394 -0.08498 0.00001 73 5ZZ -0.00002 -0.00001 0.01874 0.02451 0.00000 74 5XY -0.00002 0.00004 -0.07323 0.03311 0.00000 75 5XZ -0.00473 0.00885 0.00001 0.00000 0.00400 76 5YZ 0.06585 0.05064 0.00003 0.00002 -0.10470 77 5 Br 1S 0.00000 0.00000 0.00698 -0.00018 0.00000 78 2S -0.00001 0.00003 -0.06020 -0.00077 0.00001 79 3S 0.00002 -0.00005 0.09997 0.00547 -0.00002 80 4S 0.00002 -0.00005 0.08748 -0.00747 -0.00002 81 5S -0.00003 0.00054 -1.11156 -0.37043 0.00028 82 6S -0.00003 -0.00110 2.35892 0.95919 -0.00063 83 7PX -0.00001 0.00000 0.00111 0.02478 0.00000 84 7PY -0.00001 0.00001 -0.01292 0.01586 0.00000 85 7PZ 0.02348 0.00705 0.00000 0.00001 0.02334 86 8PX 0.00003 0.00000 -0.00402 -0.07989 0.00001 87 8PY 0.00003 -0.00003 0.04104 -0.05121 0.00000 88 8PZ -0.07518 -0.02234 0.00000 -0.00004 -0.07514 89 9PX -0.00011 0.00000 0.04400 0.28583 -0.00003 90 9PY -0.00009 0.00007 -0.10472 0.18775 0.00001 91 9PZ 0.23258 0.05797 0.00001 0.00014 0.25421 92 10PX 0.00016 0.00004 -0.18209 -0.42588 0.00008 93 10PY 0.00011 0.00002 -0.08434 -0.29820 0.00004 94 10PZ -0.11658 0.00999 0.00001 -0.00010 -0.28101 95 11XX -0.00001 0.00000 0.00409 0.00595 0.00000 96 11YY -0.00001 0.00004 -0.07998 -0.00658 0.00001 97 11ZZ 0.00000 0.00004 -0.06996 -0.00748 0.00002 98 11XY -0.00002 -0.00001 0.03663 0.05019 -0.00001 99 11XZ 0.00741 0.00816 0.00001 0.00000 0.00988 100 11YZ 0.04417 -0.04989 -0.00003 0.00003 0.06785 101 12XX -0.00001 0.00034 -0.68067 -0.17026 0.00015 102 12YY 0.00001 0.00014 -0.30814 -0.12828 0.00011 103 12ZZ -0.00003 0.00018 -0.37638 -0.14669 0.00008 104 12XY 0.00006 0.00005 -0.13762 -0.19837 0.00003 105 12XZ -0.03555 -0.04094 -0.00004 -0.00002 -0.03585 106 12YZ -0.20278 0.22562 0.00016 -0.00015 -0.30648 107 6 Br 1S 0.00000 0.00000 -0.00698 -0.00018 0.00000 108 2S 0.00000 -0.00003 0.06020 -0.00078 0.00001 109 3S 0.00001 0.00005 -0.09997 0.00549 -0.00003 110 4S 0.00001 0.00004 -0.08749 -0.00746 -0.00002 111 5S 0.00009 -0.00052 1.11157 -0.37061 0.00034 112 6S -0.00026 0.00109 -2.35891 0.95960 -0.00077 113 7PX 0.00001 0.00000 0.00110 -0.02479 0.00000 114 7PY 0.00001 0.00001 -0.01291 -0.01587 0.00000 115 7PZ -0.02349 0.00704 0.00001 -0.00001 -0.02334 116 8PX -0.00004 0.00000 -0.00401 0.07990 -0.00001 117 8PY -0.00002 -0.00002 0.04104 0.05122 0.00000 118 8PZ 0.07520 -0.02230 -0.00002 0.00004 0.07513 119 9PX 0.00013 -0.00002 0.04394 -0.28587 0.00004 120 9PY 0.00008 0.00005 -0.10470 -0.18777 -0.00001 121 9PZ -0.23262 0.05785 0.00005 -0.00014 -0.25419 122 10PX -0.00018 0.00007 -0.18202 0.42594 -0.00011 123 10PY -0.00013 0.00004 -0.08437 0.29828 -0.00004 124 10PZ 0.11658 0.01002 -0.00002 0.00010 0.28100 125 11XX -0.00001 0.00000 -0.00408 0.00595 0.00000 126 11YY 0.00000 -0.00004 0.07996 -0.00658 0.00001 127 11ZZ 0.00001 -0.00004 0.06997 -0.00748 0.00002 128 11XY -0.00002 0.00002 -0.03663 0.05020 -0.00001 129 11XZ 0.00742 -0.00817 -0.00001 0.00000 0.00986 130 11YZ 0.04414 0.04990 0.00002 0.00003 0.06787 131 12XX 0.00007 -0.00034 0.68064 -0.17034 0.00019 132 12YY 0.00003 -0.00014 0.30822 -0.12836 0.00013 133 12ZZ 0.00000 -0.00017 0.37633 -0.14675 0.00010 134 12XY 0.00008 -0.00006 0.13764 -0.19841 0.00004 135 12XZ -0.03559 0.04098 0.00004 -0.00002 -0.03577 136 12YZ -0.20266 -0.22569 -0.00011 -0.00012 -0.30656 137 7 Cl 1S 0.00001 -0.02950 -0.00002 0.00898 0.00000 138 2S -0.00001 0.07653 0.00003 -0.02846 0.00000 139 2PX -0.02336 0.00003 -0.05000 -0.00002 -0.07196 140 2PY -0.05431 -0.00003 0.02441 -0.00003 -0.07596 141 2PZ 0.00003 0.06826 0.00002 -0.14103 0.00002 142 3S 0.00017 -0.50633 -0.00028 0.14600 -0.00008 143 3PX 0.02312 -0.00015 0.20624 0.00004 0.30282 144 3PY 0.23111 0.00013 -0.09712 0.00014 0.29801 145 3PZ -0.00010 -0.31744 -0.00010 0.55667 -0.00007 146 4S -0.00034 0.45047 0.00034 0.04712 0.00011 147 4PX 0.50347 0.00050 -0.35785 0.00015 -0.50230 148 4PY -0.43796 -0.00027 0.21720 -0.00024 -0.31750 149 4PZ 0.00010 0.72648 0.00026 -0.72732 0.00008 150 5XX -0.00002 0.02246 0.00002 0.03351 -0.00001 151 5YY 0.00003 -0.13886 -0.00007 0.03190 -0.00001 152 5ZZ 0.00001 0.08576 0.00002 -0.07403 0.00001 153 5XY 0.00002 -0.04414 -0.00003 -0.00082 0.00000 154 5XZ 0.20934 0.00013 -0.08387 0.00008 -0.10584 155 5YZ -0.07716 0.00000 -0.01219 -0.00004 -0.04061 156 8 Cl 1S -0.00001 0.02950 0.00002 0.00898 0.00000 157 2S 0.00004 -0.07653 -0.00004 -0.02845 0.00000 158 2PX 0.02336 0.00003 -0.05001 0.00002 0.07196 159 2PY 0.05431 0.00000 0.02440 0.00002 0.07596 160 2PZ -0.00007 0.06827 0.00005 0.14102 -0.00001 161 3S -0.00016 0.50633 0.00029 0.14595 0.00000 162 3PX -0.02309 -0.00011 0.20626 -0.00006 -0.30282 163 3PY -0.23113 -0.00001 -0.09708 -0.00010 -0.29801 164 3PZ 0.00030 -0.31747 -0.00022 -0.55665 0.00003 165 4S -0.00004 -0.45043 -0.00029 0.04718 0.00001 166 4PX -0.50355 0.00008 -0.35781 -0.00010 0.50231 167 4PY 0.43801 -0.00003 0.21713 0.00015 0.31751 168 4PZ -0.00055 0.72655 0.00043 0.72729 0.00002 169 5XX -0.00001 -0.02246 -0.00001 0.03351 -0.00002 170 5YY -0.00005 0.13887 0.00007 0.03189 0.00002 171 5ZZ 0.00006 -0.08577 -0.00004 -0.07403 -0.00001 172 5XY -0.00002 0.04414 0.00002 -0.00082 0.00002 173 5XZ 0.20935 0.00003 0.08385 0.00007 -0.10584 174 5YZ -0.07716 -0.00001 0.01220 -0.00003 -0.04061 111 112 113 114 115 V V V V V Eigenvalues -- 0.42615 0.43973 0.44055 0.44175 0.44408 1 1 Al 1S 0.00849 0.00000 0.00000 -0.00117 0.00063 2 2S 0.02810 0.00001 -0.00003 0.03178 0.01689 3 2PX -0.02613 0.00000 -0.00001 0.00938 0.01120 4 2PY 0.02059 -0.00001 0.00001 -0.01367 -0.03704 5 2PZ 0.00000 0.00069 0.00111 0.00000 0.00000 6 3S 0.48822 0.00004 -0.00010 0.06605 0.09396 7 3PX 0.06434 -0.00001 0.00006 -0.08306 -0.04468 8 3PY -0.11567 0.00003 0.00001 -0.00602 0.14820 9 3PZ 0.00001 -0.09892 0.13841 0.00010 0.00001 10 4S -1.70105 -0.00008 0.00011 -0.00568 -0.28709 11 4PX 0.43490 -0.00002 -0.00008 0.06011 -0.07491 12 4PY -0.45312 -0.00006 0.00018 -0.17437 -0.21034 13 4PZ -0.00002 -0.29768 0.00316 0.00000 0.00007 14 5XX -0.31009 0.00000 0.00001 -0.00699 0.01718 15 5YY 0.07914 -0.00003 0.00004 -0.04671 -0.10982 16 5ZZ 0.13852 0.00004 -0.00012 0.15239 0.10714 17 5XY -0.10715 -0.00002 -0.00003 0.05348 -0.10135 18 5XZ 0.00001 0.02379 -0.01963 -0.00001 -0.00002 19 5YZ -0.00003 0.05353 0.01668 0.00000 0.00002 20 2 Al 1S -0.00848 0.00000 0.00000 0.00118 0.00063 21 2S -0.02809 0.00000 0.00003 -0.03173 0.01694 22 2PX -0.02613 0.00000 0.00000 0.00936 -0.01121 23 2PY 0.02060 0.00001 0.00000 -0.01361 0.03705 24 2PZ 0.00000 -0.00070 0.00111 0.00000 0.00000 25 3S -0.48812 0.00002 0.00007 -0.06575 0.09418 26 3PX 0.06438 0.00001 0.00005 -0.08290 0.04478 27 3PY -0.11571 -0.00004 0.00004 -0.00626 -0.14816 28 3PZ 0.00000 0.09852 0.13871 0.00009 0.00001 29 4S 1.70081 -0.00006 -0.00004 0.00492 -0.28752 30 4PX 0.43503 0.00004 -0.00012 0.06052 0.07467 31 4PY -0.45297 0.00004 0.00012 -0.17370 0.21067 32 4PZ -0.00003 0.29768 0.00402 -0.00003 -0.00007 33 5XX 0.31009 0.00001 -0.00001 0.00700 0.01711 34 5YY -0.07914 -0.00003 -0.00002 0.04656 -0.10987 35 5ZZ -0.13849 0.00002 0.00010 -0.15216 0.10737 36 5XY 0.10708 -0.00003 0.00006 -0.05374 -0.10128 37 5XZ -0.00001 0.02373 0.01969 0.00000 -0.00001 38 5YZ 0.00002 0.05361 -0.01650 0.00000 0.00002 39 3 Cl 1S 0.01245 0.00000 0.00000 0.00481 -0.00633 40 2S -0.01288 0.00000 0.00000 -0.00178 0.00204 41 2PX -0.04264 -0.00001 -0.00001 0.02725 -0.04995 42 2PY 0.05468 -0.00002 0.00005 -0.06014 -0.07826 43 2PZ 0.00000 0.06847 -0.04584 -0.00004 -0.00001 44 3S 0.26041 -0.00004 -0.00009 0.10472 -0.14531 45 3PX 0.16952 0.00006 0.00004 -0.10604 0.19691 46 3PY -0.19776 0.00007 -0.00020 0.23250 0.29294 47 3PZ 0.00000 -0.26824 0.17530 0.00017 0.00004 48 4S -0.31314 0.00006 0.00019 -0.22970 0.24093 49 4PX -0.23112 -0.00007 -0.00005 0.12375 -0.23571 50 4PY 0.11870 -0.00005 0.00022 -0.25443 -0.19268 51 4PZ 0.00000 0.34609 -0.18936 -0.00018 -0.00005 52 5XX -0.01959 0.00000 -0.00001 0.01417 -0.00319 53 5YY 0.08956 -0.00001 -0.00001 0.00884 -0.04262 54 5ZZ -0.01610 0.00001 -0.00001 0.01386 0.01423 55 5XY 0.02325 0.00001 0.00001 -0.01611 0.03698 56 5XZ 0.00000 -0.01705 0.00873 0.00001 0.00000 57 5YZ 0.00000 -0.02496 0.00180 0.00001 0.00000 58 4 Cl 1S -0.01245 0.00000 0.00001 -0.00481 -0.00632 59 2S 0.01288 0.00000 0.00000 0.00178 0.00203 60 2PX -0.04261 0.00002 -0.00002 0.02733 0.04991 61 2PY 0.05470 0.00002 0.00004 -0.06003 0.07832 62 2PZ 0.00000 -0.06834 -0.04605 -0.00004 0.00000 63 3S -0.26044 -0.00006 0.00012 -0.10481 -0.14510 64 3PX 0.16940 -0.00007 0.00008 -0.10638 -0.19677 65 3PY -0.19785 -0.00006 -0.00015 0.23209 -0.29317 66 3PZ -0.00001 0.26777 0.17614 0.00014 -0.00001 67 4S 0.31319 0.00010 -0.00023 0.22981 0.24054 68 4PX -0.23097 0.00007 -0.00009 0.12411 0.23558 69 4PY 0.11877 0.00002 0.00019 -0.25416 0.19297 70 4PZ 0.00002 -0.34558 -0.19044 -0.00015 0.00002 71 5XX 0.01959 0.00000 0.00001 -0.01418 -0.00318 72 5YY -0.08956 -0.00002 0.00002 -0.00887 -0.04257 73 5ZZ 0.01610 0.00000 0.00001 -0.01383 0.01424 74 5XY -0.02320 0.00001 -0.00002 0.01618 0.03697 75 5XZ 0.00000 -0.01702 -0.00878 -0.00001 0.00000 76 5YZ 0.00000 -0.02497 -0.00188 -0.00001 0.00000 77 5 Br 1S 0.00422 0.00000 0.00000 0.00034 0.00235 78 2S -0.03753 -0.00001 0.00000 -0.00321 -0.02021 79 3S 0.06443 0.00001 -0.00001 0.00567 0.03353 80 4S 0.05055 0.00001 -0.00001 0.00423 0.02959 81 5S -0.91064 -0.00013 0.00010 -0.06401 -0.43204 82 6S 2.06103 0.00029 -0.00024 0.15485 0.95502 83 7PX -0.02145 0.00000 0.00000 -0.00410 0.00775 84 7PY 0.03356 0.00000 0.00000 -0.00109 -0.01480 85 7PZ 0.00000 0.01971 0.00804 0.00001 0.00000 86 8PX 0.06838 0.00000 -0.00001 0.01309 -0.02513 87 8PY -0.10810 0.00001 0.00000 0.00358 0.04752 88 8PZ -0.00001 -0.06324 -0.02585 -0.00002 0.00000 89 9PX -0.18490 0.00001 0.00004 -0.03947 0.09780 90 9PY 0.37375 -0.00003 0.00001 -0.01608 -0.14927 91 9PZ 0.00003 0.20014 0.08549 0.00006 0.00000 92 10PX -0.10510 -0.00003 0.00000 0.00735 -0.18240 93 10PY -0.46246 0.00001 -0.00002 0.03054 0.08941 94 10PZ -0.00003 -0.13305 -0.08665 -0.00007 -0.00002 95 11XX -0.05446 0.00001 -0.00004 0.05791 0.06459 96 11YY 0.03601 0.00001 -0.00005 0.05368 0.01590 97 11ZZ -0.07553 -0.00003 0.00010 -0.12007 -0.12926 98 11XY 0.04332 -0.00001 0.00006 -0.07719 -0.04935 99 11XZ 0.00000 0.08260 -0.06873 -0.00005 -0.00002 100 11YZ 0.00001 -0.09625 0.11222 0.00009 0.00004 101 12XX -0.24112 -0.00011 0.00025 -0.30678 -0.53847 102 12YY -0.67713 -0.00010 0.00029 -0.29094 -0.32177 103 12ZZ -0.17914 0.00005 -0.00042 0.51820 0.34761 104 12XY -0.16843 0.00004 -0.00028 0.35823 0.24076 105 12XZ -0.00001 -0.38728 0.32189 0.00024 0.00007 106 12YZ -0.00006 0.44377 -0.51953 -0.00043 -0.00016 107 6 Br 1S -0.00422 0.00000 0.00000 -0.00034 0.00235 108 2S 0.03752 -0.00001 0.00000 0.00314 -0.02023 109 3S -0.06440 0.00001 0.00000 -0.00556 0.03354 110 4S -0.05053 0.00001 0.00000 -0.00414 0.02961 111 5S 0.91028 -0.00012 0.00003 0.06264 -0.43229 112 6S -2.06024 0.00026 -0.00006 -0.15178 0.95561 113 7PX -0.02145 0.00000 0.00000 -0.00410 -0.00774 114 7PY 0.03356 0.00000 0.00000 -0.00107 0.01479 115 7PZ 0.00000 -0.01974 0.00798 0.00001 0.00000 116 8PX 0.06840 0.00001 -0.00002 0.01310 0.02509 117 8PY -0.10810 -0.00001 0.00001 0.00352 -0.04749 118 8PZ -0.00001 0.06334 -0.02565 -0.00003 0.00000 119 9PX -0.18498 -0.00002 0.00005 -0.03952 -0.09768 120 9PY 0.37374 0.00004 -0.00001 -0.01590 0.14915 121 9PZ 0.00003 -0.20046 0.08487 0.00008 0.00001 122 10PX -0.10493 0.00004 -0.00004 0.00767 0.18238 123 10PY -0.46243 -0.00002 -0.00001 0.03054 -0.08929 124 10PZ -0.00003 0.13336 -0.08623 -0.00008 0.00000 125 11XX 0.05447 0.00000 0.00004 -0.05788 0.06465 126 11YY -0.03602 0.00000 0.00005 -0.05368 0.01597 127 11ZZ 0.07549 -0.00001 -0.00008 0.11989 -0.12942 128 11XY -0.04330 0.00000 -0.00006 0.07717 -0.04942 129 11XZ 0.00000 0.08242 0.06899 0.00004 0.00000 130 11YZ -0.00001 -0.09590 -0.11249 -0.00008 0.00002 131 12XX 0.24086 -0.00008 -0.00014 0.30586 -0.53890 132 12YY 0.67698 -0.00005 -0.00022 0.29017 -0.32225 133 12ZZ 0.17913 0.00000 0.00040 -0.51815 0.34821 134 12XY 0.16838 0.00001 0.00026 -0.35807 0.24113 135 12XZ 0.00002 -0.38641 -0.32309 -0.00020 0.00002 136 12YZ 0.00004 0.44217 0.52078 0.00038 -0.00008 137 7 Cl 1S 0.00000 0.00000 0.00330 0.00000 0.00181 138 2S 0.00000 -0.00002 0.01125 0.00001 0.00223 139 2PX -0.00613 0.05413 0.00008 -0.00461 -0.00001 140 2PY -0.04613 -0.06753 -0.00013 0.04139 -0.00001 141 2PZ 0.00001 -0.00015 0.09354 0.00007 -0.03531 142 3S 0.00000 -0.00009 0.10073 0.00006 0.04758 143 3PX 0.01266 -0.22645 -0.00032 0.02689 0.00002 144 3PY 0.18133 0.26829 0.00051 -0.16930 0.00006 145 3PZ -0.00004 0.00062 -0.38570 -0.00029 0.12488 146 4S 0.00000 0.00030 -0.26617 -0.00014 -0.02787 147 4PX 0.23727 0.39791 0.00060 -0.08430 -0.00005 148 4PY -0.23292 -0.35197 -0.00069 0.25840 -0.00009 149 4PZ 0.00006 -0.00086 0.56510 0.00050 -0.06881 150 5XX -0.00002 0.00001 0.00419 0.00001 0.02839 151 5YY 0.00000 0.00006 -0.04553 -0.00007 -0.04340 152 5ZZ 0.00003 -0.00014 0.09738 0.00011 0.03313 153 5XY 0.00000 0.00002 -0.01711 -0.00004 -0.01672 154 5XZ 0.00707 0.03183 0.00007 -0.04232 0.00001 155 5YZ -0.03238 -0.02882 -0.00007 0.03966 -0.00001 156 8 Cl 1S 0.00000 0.00001 -0.00330 0.00000 0.00181 157 2S 0.00000 0.00002 -0.01125 0.00000 0.00223 158 2PX -0.00612 -0.05413 -0.00008 -0.00461 0.00002 159 2PY -0.04613 0.06753 0.00007 0.04139 -0.00003 160 2PZ 0.00000 -0.00013 0.09353 0.00008 0.03532 161 3S -0.00001 0.00018 -0.10076 -0.00001 0.04757 162 3PX 0.01265 0.22645 0.00032 0.02687 -0.00010 163 3PY 0.18134 -0.26829 -0.00029 -0.16927 0.00011 164 3PZ 0.00002 0.00053 -0.38568 -0.00032 -0.12493 165 4S 0.00004 -0.00044 0.26622 0.00010 -0.02785 166 4PX 0.23729 -0.39792 -0.00054 -0.08426 0.00015 167 4PY -0.23294 0.35199 0.00035 0.25837 -0.00017 168 4PZ -0.00005 -0.00081 0.56510 0.00036 0.06889 169 5XX 0.00002 0.00001 -0.00420 0.00003 0.02839 170 5YY -0.00002 -0.00007 0.04554 0.00000 -0.04340 171 5ZZ 0.00001 0.00015 -0.09739 -0.00004 0.03312 172 5XY -0.00001 -0.00004 0.01712 -0.00003 -0.01672 173 5XZ -0.00707 0.03183 0.00002 0.04232 -0.00004 174 5YZ 0.03239 -0.02882 -0.00001 -0.03966 0.00002 116 117 118 119 120 V V V V V Eigenvalues -- 0.45647 0.46712 0.48426 0.50103 0.51969 1 1 Al 1S 0.00545 0.00000 0.00177 0.00000 -0.00195 2 2S 0.04649 0.00000 -0.00191 0.00000 0.00748 3 2PX 0.02195 0.00000 -0.02763 0.00001 -0.03830 4 2PY -0.03323 0.00000 0.02241 0.00000 0.02392 5 2PZ 0.00000 0.01174 0.00000 -0.03750 -0.00001 6 3S 0.36828 -0.00001 0.05366 -0.00002 -0.03171 7 3PX -0.23294 0.00000 0.09417 0.00000 0.05075 8 3PY 0.19879 0.00001 -0.03172 -0.00002 -0.00429 9 3PZ 0.00000 -0.03421 0.00001 0.16440 0.00002 10 4S -0.88201 0.00004 -0.22686 0.00004 -0.21246 11 4PX -0.58496 0.00004 -0.21171 0.00005 -0.74600 12 4PY -0.80096 0.00003 -0.20136 -0.00005 0.05133 13 4PZ 0.00001 -0.15554 -0.00001 -0.17869 -0.00008 14 5XX -0.02371 0.00001 0.08798 0.00004 0.00042 15 5YY -0.09807 0.00000 0.01216 0.00007 -0.34830 16 5ZZ 0.25737 0.00000 -0.08696 -0.00011 0.31761 17 5XY -0.21184 0.00001 -0.18475 -0.00005 0.08035 18 5XZ -0.00004 -0.02796 0.00000 -0.17671 -0.00002 19 5YZ 0.00004 0.04215 0.00001 0.37357 0.00007 20 2 Al 1S 0.00545 0.00000 0.00177 0.00000 0.00195 21 2S 0.04652 0.00000 -0.00190 0.00001 -0.00748 22 2PX -0.02194 0.00000 0.02763 0.00001 -0.03830 23 2PY 0.03323 0.00000 -0.02241 0.00000 0.02392 24 2PZ 0.00000 0.01174 0.00000 -0.03750 -0.00001 25 3S 0.36848 0.00000 0.05375 0.00002 0.03174 26 3PX 0.23297 -0.00001 -0.09415 -0.00001 0.05076 27 3PY -0.19878 0.00001 0.03174 -0.00002 -0.00432 28 3PZ 0.00000 -0.03420 -0.00001 0.16440 0.00002 29 4S -0.88272 -0.00001 -0.22705 -0.00008 0.21234 30 4PX 0.58453 0.00003 0.21148 0.00006 -0.74588 31 4PY 0.80117 0.00001 0.20144 -0.00002 0.05124 32 4PZ -0.00003 -0.15555 0.00001 -0.17865 -0.00009 33 5XX -0.02373 -0.00001 0.08801 -0.00005 -0.00041 34 5YY -0.09814 0.00000 0.01216 -0.00007 0.34825 35 5ZZ 0.25746 -0.00001 -0.08700 0.00013 -0.31757 36 5XY -0.21182 0.00000 -0.18473 0.00005 -0.08039 37 5XZ -0.00004 0.02799 0.00001 0.17676 0.00002 38 5YZ 0.00005 -0.04217 -0.00001 -0.37354 -0.00006 39 3 Cl 1S 0.00075 0.00000 0.00185 0.00000 -0.02191 40 2S -0.00358 0.00000 0.00145 0.00000 0.00000 41 2PX -0.03426 0.00000 -0.06945 -0.00001 0.06093 42 2PY -0.04042 0.00000 0.04906 0.00001 -0.00074 43 2PZ 0.00001 0.12943 0.00000 0.10840 0.00002 44 3S 0.00696 -0.00001 0.04928 0.00010 -0.51936 45 3PX 0.13030 0.00001 0.27890 0.00003 -0.24344 46 3PY 0.14557 0.00001 -0.18604 -0.00002 -0.02421 47 3PZ -0.00003 -0.50854 -0.00001 -0.44147 -0.00008 48 4S -0.06137 0.00003 -0.12393 -0.00020 0.97610 49 4PX -0.07420 -0.00002 -0.33395 -0.00005 0.34764 50 4PY -0.02832 -0.00001 0.15746 -0.00004 0.34587 51 4PZ 0.00004 0.60788 0.00002 0.60307 0.00011 52 5XX -0.00614 0.00000 -0.01483 0.00000 0.01998 53 5YY -0.02935 0.00000 0.03684 0.00003 -0.18316 54 5ZZ 0.03777 0.00000 -0.01203 0.00000 0.03284 55 5XY 0.02945 0.00000 0.08981 0.00001 0.00638 56 5XZ 0.00000 0.00012 0.00000 0.00931 0.00000 57 5YZ -0.00001 -0.04702 0.00000 -0.14693 -0.00001 58 4 Cl 1S 0.00075 0.00000 0.00186 0.00000 0.02191 59 2S -0.00359 0.00000 0.00145 0.00000 0.00000 60 2PX 0.03427 0.00000 0.06945 -0.00001 0.06089 61 2PY 0.04043 0.00000 -0.04906 0.00001 -0.00073 62 2PZ -0.00001 0.12942 0.00000 0.10839 0.00003 63 3S 0.00696 0.00001 0.04938 -0.00010 0.51927 64 3PX -0.13032 0.00002 -0.27892 0.00004 -0.24328 65 3PY -0.14562 0.00002 0.18605 -0.00003 -0.02422 66 3PZ 0.00004 -0.50851 -0.00001 -0.44146 -0.00011 67 4S -0.06132 -0.00003 -0.12410 0.00019 -0.97591 68 4PX 0.07428 -0.00002 0.33398 -0.00006 0.34741 69 4PY 0.02833 -0.00001 -0.15742 -0.00003 0.34584 70 4PZ -0.00005 0.60784 0.00000 0.60304 0.00014 71 5XX -0.00614 0.00000 -0.01485 0.00000 -0.01997 72 5YY -0.02934 0.00001 0.03690 -0.00003 0.18313 73 5ZZ 0.03776 0.00000 -0.01204 0.00000 -0.03284 74 5XY 0.02946 0.00000 0.08980 -0.00001 -0.00642 75 5XZ 0.00000 -0.00013 0.00000 -0.00933 0.00000 76 5YZ -0.00001 0.04703 0.00000 0.14693 0.00001 77 5 Br 1S 0.00818 0.00000 0.00223 0.00000 0.00344 78 2S -0.07224 0.00000 -0.01880 0.00000 -0.02976 79 3S 0.12311 -0.00001 0.03065 0.00000 0.05026 80 4S 0.09954 -0.00001 0.02830 0.00000 0.04110 81 5S -1.61460 0.00008 -0.42485 0.00004 -0.74576 82 6S 3.67642 -0.00019 0.95979 -0.00009 1.71947 83 7PX -0.01244 0.00000 -0.03675 0.00000 -0.00121 84 7PY -0.01857 0.00000 0.04045 0.00000 0.00282 85 7PZ 0.00000 0.06096 0.00000 -0.02516 0.00000 86 8PX 0.03938 0.00000 0.11811 0.00001 0.00363 87 8PY 0.05930 0.00001 -0.13021 -0.00002 -0.00937 88 8PZ -0.00001 -0.19599 0.00000 0.08102 0.00001 89 9PX -0.08667 0.00000 -0.37780 -0.00002 0.00582 90 9PY -0.16556 -0.00004 0.43583 0.00005 0.04841 91 9PZ 0.00003 0.64025 -0.00001 -0.26867 -0.00003 92 10PX -0.22411 0.00002 0.26902 0.00002 -0.11794 93 10PY -0.06315 0.00005 -0.45611 -0.00003 -0.18707 94 10PZ -0.00004 -0.56465 0.00001 0.26189 0.00003 95 11XX -0.04865 0.00001 -0.06081 0.00001 -0.08319 96 11YY -0.10416 0.00000 0.07241 0.00000 0.02363 97 11ZZ -0.02663 0.00001 -0.05575 -0.00001 -0.01254 98 11XY 0.07345 0.00000 0.01206 -0.00001 0.03323 99 11XZ 0.00000 0.04296 0.00000 -0.07329 -0.00002 100 11YZ 0.00001 0.02731 0.00000 0.00123 0.00000 101 12XX -0.68657 0.00002 0.06253 -0.00004 -0.00599 102 12YY -0.44139 0.00006 -0.57748 0.00001 -0.52096 103 12ZZ -0.82403 0.00002 0.02342 0.00008 -0.35801 104 12XY -0.30959 0.00002 -0.04773 0.00004 -0.14720 105 12XZ 0.00002 -0.20354 0.00002 0.35028 0.00008 106 12YZ -0.00005 -0.12994 -0.00001 -0.00289 0.00002 107 6 Br 1S 0.00818 0.00000 0.00223 0.00000 -0.00344 108 2S -0.07224 0.00000 -0.01879 0.00000 0.02976 109 3S 0.12311 0.00000 0.03064 0.00001 -0.05025 110 4S 0.09953 0.00000 0.02829 0.00000 -0.04109 111 5S -1.61467 -0.00004 -0.42475 -0.00008 0.74562 112 6S 3.67660 0.00008 0.95958 0.00019 -1.71916 113 7PX 0.01244 0.00000 0.03676 0.00000 -0.00121 114 7PY 0.01856 0.00000 -0.04045 0.00001 0.00283 115 7PZ 0.00000 0.06096 0.00000 -0.02516 0.00000 116 8PX -0.03939 0.00000 -0.11814 0.00001 0.00366 117 8PY -0.05929 0.00001 0.13023 -0.00002 -0.00938 118 8PZ 0.00000 -0.19598 0.00000 0.08101 0.00000 119 9PX 0.08670 -0.00001 0.37790 -0.00003 0.00574 120 9PY 0.16551 -0.00004 -0.43588 0.00007 0.04845 121 9PZ 0.00000 0.64020 0.00001 -0.26864 -0.00001 122 10PX 0.22412 0.00001 -0.26911 0.00004 -0.11784 123 10PY 0.06323 0.00004 0.45614 -0.00005 -0.18708 124 10PZ 0.00002 -0.56461 -0.00001 0.26185 0.00001 125 11XX -0.04865 0.00000 -0.06080 -0.00001 0.08319 126 11YY -0.10410 0.00001 0.07243 -0.00001 -0.02363 127 11ZZ -0.02669 0.00000 -0.05576 0.00001 0.01252 128 11XY 0.07343 0.00000 0.01203 0.00001 -0.03322 129 11XZ 0.00000 -0.04295 0.00000 0.07328 0.00002 130 11YZ 0.00001 -0.02732 0.00000 -0.00122 0.00000 131 12XX -0.68664 0.00000 0.06257 0.00002 0.00591 132 12YY -0.44168 -0.00005 -0.57754 -0.00002 0.52090 133 12ZZ -0.82376 0.00000 0.02356 -0.00010 0.35801 134 12XY -0.30947 -0.00001 -0.04757 -0.00004 0.14713 135 12XZ 0.00002 0.20346 0.00001 -0.35026 -0.00007 136 12YZ -0.00003 0.13001 0.00000 0.00285 -0.00001 137 7 Cl 1S -0.00176 -0.00612 -0.00075 0.00035 0.00000 138 2S 0.01820 0.00550 -0.00098 0.02382 0.00001 139 2PX -0.00001 0.00000 0.00000 0.00000 -0.03467 140 2PY -0.00001 0.00000 0.00000 -0.00001 0.08343 141 2PZ 0.04738 0.02837 0.02624 -0.06353 -0.00001 142 3S -0.00159 -0.13179 -0.02102 0.06519 -0.00004 143 3PX 0.00003 0.00001 -0.00001 -0.00002 0.14489 144 3PY 0.00003 0.00001 0.00000 0.00005 -0.35154 145 3PZ -0.21226 -0.11781 -0.10864 0.21944 0.00004 146 4S -0.03373 0.25580 0.06302 -0.20531 0.00007 147 4PX -0.00007 -0.00002 0.00000 0.00008 -0.18736 148 4PY -0.00002 -0.00002 0.00000 -0.00006 0.54169 149 4PZ 0.42741 0.16433 0.13500 -0.02641 0.00000 150 5XX 0.04757 -0.06707 -0.08683 0.14017 0.00000 151 5YY -0.06717 0.01223 0.01546 -0.12416 -0.00002 152 5ZZ 0.05717 0.02923 0.06580 0.03943 0.00002 153 5XY -0.10818 -0.03168 -0.00676 -0.02844 0.00001 154 5XZ -0.00001 0.00001 0.00000 0.00002 -0.02562 155 5YZ 0.00002 0.00000 0.00000 0.00000 0.13015 156 8 Cl 1S -0.00176 0.00612 -0.00075 -0.00035 0.00000 157 2S 0.01820 -0.00550 -0.00098 -0.02382 0.00000 158 2PX 0.00001 0.00000 0.00000 0.00000 -0.03467 159 2PY 0.00001 -0.00001 0.00000 0.00000 0.08343 160 2PZ -0.04737 0.02837 -0.02624 -0.06353 -0.00001 161 3S -0.00155 0.13179 -0.02102 -0.06520 0.00008 162 3PX -0.00005 -0.00001 -0.00001 -0.00001 0.14489 163 3PY -0.00002 0.00002 -0.00002 0.00000 -0.35156 164 3PZ 0.21223 -0.11781 0.10864 0.21944 0.00005 165 4S -0.03380 -0.25579 0.06303 0.20534 -0.00016 166 4PX 0.00005 -0.00001 -0.00001 0.00004 -0.18736 167 4PY 0.00004 -0.00003 0.00002 -0.00002 0.54172 168 4PZ -0.42740 0.16434 -0.13500 -0.02641 -0.00004 169 5XX 0.04759 0.06707 -0.08683 -0.14018 -0.00001 170 5YY -0.06718 -0.01223 0.01546 0.12416 0.00004 171 5ZZ 0.05716 -0.02923 0.06580 -0.03943 -0.00002 172 5XY -0.10818 0.03168 -0.00676 0.02843 -0.00001 173 5XZ -0.00004 0.00001 0.00000 -0.00001 0.02561 174 5YZ 0.00000 0.00000 0.00000 0.00002 -0.13016 121 122 123 124 125 V V V V V Eigenvalues -- 0.52969 0.53443 0.53999 0.54813 0.54846 1 1 Al 1S 0.00308 0.00191 0.00000 -0.00001 0.00634 2 2S -0.00460 -0.00909 -0.00001 -0.00008 0.05473 3 2PX -0.02320 0.00791 0.00000 0.00000 -0.00017 4 2PY 0.01258 -0.00316 0.00000 0.00006 -0.04104 5 2PZ 0.00000 0.00000 0.00652 -0.03214 -0.00005 6 3S 0.11581 0.07863 0.00002 -0.00081 0.53330 7 3PX 0.00680 -0.13180 0.00000 0.00005 -0.04752 8 3PY -0.00821 -0.16094 0.00000 -0.00008 0.05662 9 3PZ 0.00000 0.00001 0.03573 0.07557 0.00015 10 4S -0.78824 -0.66438 -0.00015 0.00288 -1.82804 11 4PX -0.89133 0.12856 -0.00012 -0.00047 0.29943 12 4PY -0.44955 -0.65919 -0.00019 0.00116 -0.73342 13 4PZ 0.00000 0.00004 -0.02674 -0.88183 -0.00142 14 5XX 0.00904 0.10439 -0.00003 0.00064 -0.40874 15 5YY -0.09060 -0.05975 0.00001 0.00003 -0.02675 16 5ZZ 0.01368 -0.19339 -0.00002 -0.00049 0.32852 17 5XY -0.04189 0.07072 0.00001 -0.00028 0.17518 18 5XZ -0.00001 0.00001 -0.00749 0.27970 0.00040 19 5YZ 0.00001 -0.00001 -0.19770 0.18475 0.00031 20 2 Al 1S 0.00308 -0.00191 0.00000 0.00001 -0.00634 21 2S -0.00460 0.00909 0.00000 0.00008 -0.05473 22 2PX 0.02320 0.00793 0.00000 0.00000 -0.00016 23 2PY -0.01258 -0.00318 0.00000 0.00006 -0.04104 24 2PZ 0.00000 0.00000 -0.00652 0.03214 0.00004 25 3S 0.11600 -0.07853 0.00001 0.00084 -0.53333 26 3PX -0.00672 -0.13175 -0.00001 0.00010 -0.04755 27 3PY 0.00831 -0.16097 -0.00002 -0.00010 0.05665 28 3PZ 0.00000 0.00000 -0.03589 -0.07550 -0.00008 29 4S -0.78938 0.66388 -0.00005 -0.00282 1.82798 30 4PX 0.89115 0.12913 0.00010 -0.00046 0.29952 31 4PY 0.45021 -0.65914 0.00012 0.00112 -0.73342 32 4PZ 0.00001 0.00005 0.02652 0.88196 0.00130 33 5XX 0.00908 -0.10433 -0.00004 -0.00062 0.40875 34 5YY -0.09074 0.05962 0.00003 -0.00005 0.02674 35 5ZZ 0.01361 0.19345 -0.00001 0.00050 -0.32857 36 5XY -0.04177 -0.07075 0.00000 0.00025 -0.17509 37 5XZ 0.00000 0.00000 -0.00759 0.27972 0.00047 38 5YZ 0.00001 0.00004 -0.19770 0.18480 0.00026 39 3 Cl 1S -0.00806 0.01204 0.00000 -0.00002 0.01035 40 2S 0.00261 -0.00581 0.00000 0.00002 -0.01442 41 2PX 0.16148 -0.07787 0.00001 -0.00007 0.04551 42 2PY 0.05304 -0.01605 0.00001 0.00011 -0.06396 43 2PZ -0.00001 -0.00001 0.13303 0.10569 0.00018 44 3S -0.18295 0.26870 0.00004 -0.00035 0.20668 45 3PX -0.64725 0.30395 -0.00003 0.00029 -0.19362 46 3PY -0.21875 0.06172 -0.00004 -0.00041 0.24817 47 3PZ 0.00004 0.00004 -0.52191 -0.43590 -0.00073 48 4S 0.29459 -0.56807 -0.00011 0.00043 -0.24209 49 4PX 0.88536 -0.31677 0.00007 -0.00044 0.28759 50 4PY 0.36433 -0.10046 0.00004 0.00036 -0.20741 51 4PZ -0.00005 -0.00005 0.58306 0.68043 0.00113 52 5XX 0.01278 0.05758 0.00001 -0.00003 0.02037 53 5YY -0.06597 0.01556 0.00000 -0.00001 -0.00123 54 5ZZ 0.00613 -0.00601 0.00000 -0.00003 0.02406 55 5XY -0.05264 -0.00434 -0.00002 0.00022 -0.13585 56 5XZ 0.00000 0.00000 0.03556 0.01658 0.00003 57 5YZ 0.00001 0.00001 0.02150 -0.11806 -0.00019 58 4 Cl 1S -0.00806 -0.01205 0.00000 0.00001 -0.01035 59 2S 0.00260 0.00581 0.00000 -0.00002 0.01442 60 2PX -0.16144 -0.07797 -0.00001 -0.00007 0.04549 61 2PY -0.05305 -0.01610 -0.00001 0.00009 -0.06396 62 2PZ 0.00001 0.00000 -0.13304 -0.10569 -0.00015 63 3S -0.18293 -0.26899 0.00004 0.00028 -0.20666 64 3PX 0.64710 0.30436 0.00005 0.00030 -0.19355 65 3PY 0.21879 0.06193 0.00004 -0.00035 0.24816 66 3PZ -0.00003 -0.00001 0.52193 0.43590 0.00060 67 4S 0.29457 0.56861 -0.00010 -0.00030 0.24207 68 4PX -0.88521 -0.31733 -0.00008 -0.00044 0.28748 69 4PY -0.36450 -0.10084 -0.00003 0.00026 -0.20738 70 4PZ 0.00004 0.00000 -0.58304 -0.68046 -0.00096 71 5XX 0.01285 -0.05757 0.00000 0.00003 -0.02038 72 5YY -0.06603 -0.01564 0.00001 -0.00002 0.00127 73 5ZZ 0.00613 0.00600 0.00000 0.00004 -0.02407 74 5XY -0.05264 0.00430 -0.00001 -0.00020 0.13582 75 5XZ 0.00000 0.00000 0.03557 0.01659 0.00002 76 5YZ 0.00000 -0.00001 0.02152 -0.11808 -0.00017 77 5 Br 1S 0.00586 0.00329 0.00000 -0.00001 0.00499 78 2S -0.04966 -0.02438 -0.00001 0.00006 -0.04076 79 3S 0.08233 0.03555 0.00002 -0.00010 0.06514 80 4S 0.07087 0.04154 0.00002 -0.00010 0.06257 81 5S -1.23564 -0.60008 -0.00026 0.00156 -0.99993 82 6S 2.88574 1.37266 0.00061 -0.00358 2.29293 83 7PX 0.01003 0.01307 0.00000 -0.00002 0.01713 84 7PY -0.00494 0.03997 0.00001 0.00000 -0.00563 85 7PZ 0.00000 0.00000 0.02876 -0.04350 -0.00007 86 8PX -0.03268 -0.04250 0.00000 0.00007 -0.05561 87 8PY 0.01549 -0.12882 -0.00002 -0.00001 0.01792 88 8PZ 0.00000 -0.00001 -0.09261 0.14035 0.00024 89 9PX 0.13288 0.16487 0.00002 -0.00028 0.21357 90 9PY -0.02609 0.43174 0.00007 0.00002 -0.04360 91 9PZ 0.00001 0.00003 0.30658 -0.47776 -0.00081 92 10PX -0.31757 -0.34728 -0.00007 0.00065 -0.44907 93 10PY -0.17883 -0.44038 -0.00010 0.00014 -0.06317 94 10PZ -0.00002 -0.00004 -0.28267 0.55754 0.00093 95 11XX -0.04486 -0.01986 0.00000 -0.00004 0.02317 96 11YY 0.01706 -0.03087 -0.00001 0.00017 -0.10470 97 11ZZ -0.08939 0.00328 -0.00001 0.00001 -0.01032 98 11XY 0.00997 -0.01024 0.00000 -0.00004 0.02843 99 11XZ 0.00000 0.00000 0.01112 -0.07119 -0.00011 100 11YZ 0.00000 0.00000 0.01376 -0.02194 -0.00003 101 12XX -0.45079 -0.18405 -0.00013 0.00099 -0.63117 102 12YY -0.74501 -0.15848 -0.00009 0.00002 -0.02205 103 12ZZ -0.25069 -0.30944 -0.00009 0.00077 -0.48265 104 12XY -0.03396 0.04900 0.00000 0.00018 -0.12121 105 12XZ -0.00002 -0.00002 -0.05756 0.34110 0.00053 106 12YZ 0.00001 0.00001 -0.06854 0.10576 0.00016 107 6 Br 1S 0.00586 -0.00329 0.00000 0.00001 -0.00499 108 2S -0.04969 0.02435 -0.00001 -0.00006 0.04076 109 3S 0.08238 -0.03551 0.00001 0.00010 -0.06513 110 4S 0.07092 -0.04151 0.00001 0.00010 -0.06255 111 5S -1.23634 0.59948 -0.00015 -0.00155 0.99985 112 6S 2.88736 -1.37126 0.00036 0.00356 -2.29281 113 7PX -0.01005 0.01306 0.00000 -0.00003 0.01711 114 7PY 0.00491 0.03998 0.00000 0.00001 -0.00563 115 7PZ 0.00000 0.00001 -0.02876 0.04351 0.00006 116 8PX 0.03274 -0.04247 0.00000 0.00010 -0.05556 117 8PY -0.01541 -0.12884 0.00000 -0.00004 0.01792 118 8PZ 0.00000 -0.00002 0.09262 -0.14036 -0.00019 119 9PX -0.13311 0.16474 0.00001 -0.00039 0.21341 120 9PY 0.02580 0.43179 -0.00002 0.00010 -0.04361 121 9PZ -0.00001 0.00007 -0.30663 0.47781 0.00065 122 10PX 0.31796 -0.34707 0.00001 0.00076 -0.44890 123 10PY 0.17919 -0.44033 0.00004 0.00007 -0.06318 124 10PZ 0.00002 -0.00008 0.28275 -0.55761 -0.00078 125 11XX -0.04488 0.01982 0.00000 0.00003 -0.02316 126 11YY 0.01704 0.03090 -0.00001 -0.00016 0.10469 127 11ZZ -0.08940 -0.00333 -0.00001 -0.00002 0.01032 128 11XY 0.00996 0.01025 0.00000 0.00005 -0.02845 129 11XZ 0.00000 -0.00001 0.01114 -0.07120 -0.00011 130 11YZ 0.00000 0.00000 0.01375 -0.02194 -0.00003 131 12XX -0.45101 0.18390 -0.00010 -0.00097 0.63111 132 12YY -0.74526 0.15800 -0.00005 -0.00007 0.02207 133 12ZZ -0.25100 0.30934 -0.00003 -0.00072 0.48263 134 12XY -0.03391 -0.04902 0.00000 -0.00019 0.12130 135 12XZ -0.00001 0.00003 -0.05766 0.34114 0.00052 136 12YZ 0.00001 0.00001 -0.06848 0.10575 0.00017 137 7 Cl 1S -0.00130 0.00000 -0.00001 0.00001 0.00000 138 2S 0.00121 0.00000 0.00000 0.00000 0.00000 139 2PX -0.00003 0.07302 -0.02206 0.04686 0.05863 140 2PY -0.00006 0.12132 0.13954 0.00198 -0.01076 141 2PZ 0.03569 0.00002 -0.00002 0.00001 -0.00001 142 3S -0.02846 0.00011 -0.00033 0.00021 0.00001 143 3PX 0.00014 -0.31653 0.08213 -0.20814 -0.23911 144 3PY 0.00025 -0.49976 -0.56996 0.01331 0.03759 145 3PZ -0.14514 -0.00009 0.00011 -0.00003 0.00002 146 4S -0.03139 -0.00024 0.00062 -0.00042 -0.00001 147 4PX -0.00030 0.61332 -0.06482 0.52327 0.52009 148 4PY -0.00037 0.73865 0.73697 -0.18199 0.00300 149 4PZ 0.22354 0.00014 -0.00023 0.00010 0.00000 150 5XX -0.09073 -0.00001 -0.00005 0.00003 -0.00004 151 5YY 0.04039 0.00002 0.00005 -0.00002 0.00000 152 5ZZ 0.04487 0.00002 -0.00009 0.00004 0.00004 153 5XY -0.01145 0.00000 0.00007 -0.00004 0.00001 154 5XZ -0.00005 0.11757 0.04608 0.05276 0.01919 155 5YZ -0.00006 0.13680 0.11582 -0.11646 -0.00327 156 8 Cl 1S -0.00130 0.00000 0.00001 0.00000 0.00000 157 2S 0.00121 0.00000 0.00000 0.00000 0.00000 158 2PX -0.00003 0.07301 0.02206 -0.04705 0.05848 159 2PY -0.00004 0.12134 -0.13952 -0.00195 -0.01077 160 2PZ -0.03569 0.00000 -0.00003 0.00002 -0.00001 161 3S -0.02848 -0.00003 0.00025 -0.00006 -0.00006 162 3PX 0.00011 -0.31651 -0.08216 0.20888 -0.23846 163 3PY 0.00015 -0.49982 0.56989 -0.01341 0.03754 164 3PZ 0.14513 0.00002 0.00012 -0.00006 0.00004 165 4S -0.03136 0.00002 -0.00046 0.00010 0.00014 166 4PX -0.00025 0.61330 0.06489 -0.52490 0.51846 167 4PY -0.00023 0.73873 -0.73687 0.18197 0.00357 168 4PZ -0.22353 -0.00007 -0.00022 0.00009 0.00003 169 5XX -0.09073 -0.00003 0.00003 -0.00002 0.00000 170 5YY 0.04039 0.00001 -0.00003 0.00002 0.00004 171 5ZZ 0.04487 0.00002 0.00007 -0.00002 -0.00006 172 5XY -0.01144 0.00001 -0.00005 0.00001 0.00000 173 5XZ 0.00004 -0.11757 0.04607 0.05282 -0.01902 174 5YZ 0.00005 -0.13682 0.11580 -0.11647 0.00291 126 127 128 129 130 V V V V V Eigenvalues -- 0.55708 0.57167 0.57750 0.58174 0.61008 1 1 Al 1S 0.00000 -0.00549 -0.00014 0.00000 0.00000 2 2S -0.00005 0.05419 -0.00220 0.00001 0.00001 3 2PX 0.00000 0.01159 -0.01878 -0.00002 0.00000 4 2PY -0.00001 0.01327 -0.03397 -0.00001 0.00000 5 2PZ -0.01373 -0.00001 0.00000 -0.00244 0.01904 6 3S -0.00005 -0.04927 0.04551 0.00001 -0.00003 7 3PX 0.00001 0.02512 0.09655 0.00008 0.00004 8 3PY 0.00003 -0.01733 -0.05854 -0.00006 -0.00002 9 3PZ 0.32422 0.00020 0.00007 -0.16222 -0.18568 10 4S -0.00005 0.47056 -0.40547 -0.00021 0.00014 11 4PX -0.00057 0.74519 -0.47600 -0.00035 -0.00011 12 4PY -0.00011 0.26278 -1.16344 -0.00067 0.00005 13 4PZ 0.39457 0.00014 0.00000 -0.18058 0.59708 14 5XX 0.00003 -0.08827 -0.29966 -0.00016 0.00003 15 5YY 0.00008 -0.12168 0.26833 0.00017 -0.00004 16 5ZZ -0.00024 0.46179 -0.13498 -0.00010 0.00005 17 5XY -0.00002 0.03498 0.08720 0.00004 -0.00004 18 5XZ -0.19259 -0.00009 0.00012 -0.15483 -0.50036 19 5YZ 0.04018 0.00003 -0.00003 0.08886 0.01731 20 2 Al 1S 0.00000 0.00549 -0.00015 0.00000 0.00000 21 2S 0.00005 -0.05419 -0.00211 0.00001 -0.00001 22 2PX 0.00000 0.01160 0.01876 0.00001 0.00000 23 2PY -0.00001 0.01332 0.03396 0.00001 0.00000 24 2PZ -0.01374 -0.00001 0.00000 0.00244 0.01904 25 3S 0.00007 0.04931 0.04567 0.00001 0.00003 26 3PX 0.00000 0.02502 -0.09660 -0.00008 0.00002 27 3PY 0.00003 -0.01725 0.05853 0.00006 -0.00001 28 3PZ 0.32418 0.00023 -0.00011 0.16227 -0.18570 29 4S -0.00005 -0.47081 -0.40566 -0.00020 -0.00015 30 4PX -0.00054 0.74564 0.47447 0.00021 -0.00013 31 4PY 0.00004 0.26430 1.16327 0.00065 0.00009 32 4PZ 0.39431 0.00015 -0.00003 0.18071 0.59705 33 5XX -0.00008 0.08790 -0.29989 -0.00017 -0.00005 34 5YY -0.00005 0.12202 0.26821 0.00015 0.00005 35 5ZZ 0.00023 -0.46191 -0.13435 -0.00005 -0.00004 36 5XY 0.00003 -0.03492 0.08720 0.00005 0.00003 37 5XZ 0.19254 0.00007 0.00010 -0.15478 0.50039 38 5YZ -0.04035 -0.00003 -0.00002 0.08886 -0.01726 39 3 Cl 1S 0.00000 0.00491 0.02532 0.00001 0.00000 40 2S 0.00000 -0.00589 0.00036 0.00000 0.00000 41 2PX 0.00007 -0.11297 0.01001 0.00002 0.00001 42 2PY 0.00004 -0.06757 -0.00471 0.00000 -0.00002 43 2PZ 0.01053 0.00002 0.00000 -0.01319 -0.06533 44 3S -0.00007 0.09842 0.60420 0.00034 0.00003 45 3PX -0.00029 0.46235 -0.05481 -0.00009 -0.00004 46 3PY -0.00017 0.27079 0.03053 0.00000 0.00007 47 3PZ -0.03474 -0.00008 -0.00002 0.04594 0.26707 48 4S 0.00008 -0.13903 -1.32901 -0.00077 -0.00003 49 4PX 0.00044 -0.68830 0.20328 0.00019 0.00005 50 4PY 0.00019 -0.31826 -0.26351 -0.00014 -0.00008 51 4PZ -0.04877 0.00005 0.00002 0.00541 -0.40013 52 5XX 0.00002 -0.03401 0.00209 0.00000 -0.00001 53 5YY -0.00001 0.00616 0.13590 0.00008 0.00000 54 5ZZ -0.00003 0.05696 0.00872 0.00000 0.00002 55 5XY -0.00005 0.08188 -0.12114 -0.00007 0.00001 56 5XZ 0.02498 0.00001 0.00002 -0.03835 -0.07080 57 5YZ 0.03166 0.00002 0.00001 -0.06685 -0.00076 58 4 Cl 1S 0.00001 -0.00488 0.02533 0.00002 0.00000 59 2S 0.00000 0.00589 0.00035 0.00000 0.00000 60 2PX 0.00008 -0.11297 -0.00989 0.00000 0.00001 61 2PY 0.00004 -0.06756 0.00478 0.00001 -0.00002 62 2PZ 0.01048 0.00002 -0.00001 0.01319 -0.06533 63 3S 0.00013 -0.09755 0.60433 0.00036 -0.00002 64 3PX -0.00031 0.46237 0.05429 0.00002 -0.00004 65 3PY -0.00017 0.27074 -0.03084 -0.00003 0.00009 66 3PZ -0.03456 -0.00008 0.00002 -0.04596 0.26707 67 4S -0.00022 0.13715 -1.32912 -0.00079 -0.00001 68 4PX 0.00045 -0.68847 -0.20248 -0.00009 0.00005 69 4PY 0.00022 -0.31789 0.26385 0.00017 -0.00008 70 4PZ -0.04891 0.00005 -0.00003 -0.00542 -0.40012 71 5XX -0.00002 0.03402 0.00207 0.00000 0.00000 72 5YY 0.00002 -0.00597 0.13590 0.00008 0.00001 73 5ZZ 0.00003 -0.05694 0.00877 0.00001 -0.00001 74 5XY 0.00004 -0.08199 -0.12107 -0.00007 -0.00001 75 5XZ -0.02496 -0.00002 0.00002 -0.03835 0.07080 76 5YZ -0.03160 -0.00003 0.00001 -0.06686 0.00078 77 5 Br 1S 0.00000 -0.00737 0.00692 0.00000 0.00000 78 2S -0.00003 0.05606 -0.05406 -0.00003 0.00001 79 3S 0.00005 -0.08323 0.08261 0.00005 -0.00001 80 4S 0.00005 -0.09628 0.08926 0.00005 -0.00002 81 5S -0.00065 1.15027 -1.21672 -0.00073 0.00011 82 6S 0.00142 -2.50097 2.74885 0.00167 -0.00017 83 7PX 0.00002 -0.03608 0.00643 0.00000 -0.00002 84 7PY 0.00001 -0.01628 0.03674 0.00002 0.00000 85 7PZ -0.00302 -0.00001 -0.00003 0.04068 0.01879 86 8PX -0.00005 0.11674 -0.02115 -0.00001 0.00006 87 8PY -0.00004 0.05291 -0.11883 -0.00006 0.00001 88 8PZ 0.00959 0.00002 0.00009 -0.13120 -0.06068 89 9PX 0.00019 -0.41328 0.09394 0.00005 -0.00019 90 9PY 0.00016 -0.19888 0.42168 0.00022 -0.00004 91 9PZ -0.02311 -0.00007 -0.00029 0.44183 0.20582 92 10PX -0.00024 0.53767 -0.29466 -0.00017 0.00020 93 10PY -0.00025 0.33847 -0.52376 -0.00029 0.00003 94 10PZ -0.05456 0.00004 0.00027 -0.40900 -0.24796 95 11XX 0.00000 0.02123 0.02842 0.00001 0.00000 96 11YY -0.00002 0.02149 -0.08668 -0.00005 0.00000 97 11ZZ -0.00005 0.07138 -0.05629 -0.00003 0.00001 98 11XY 0.00000 -0.00613 -0.00997 -0.00001 0.00000 99 11XZ 0.03471 0.00001 0.00002 -0.05014 0.02738 100 11YZ -0.02884 -0.00002 -0.00002 0.03356 0.05167 101 12XX -0.00033 0.50650 -0.77082 -0.00044 0.00005 102 12YY -0.00027 0.49638 -0.21417 -0.00016 0.00004 103 12ZZ -0.00013 0.25980 -0.36369 -0.00022 0.00000 104 12XY -0.00002 0.03241 0.05194 0.00003 -0.00001 105 12XZ -0.15584 -0.00004 -0.00011 0.23295 -0.13974 106 12YZ 0.14250 0.00008 0.00010 -0.16631 -0.25640 107 6 Br 1S 0.00000 0.00738 0.00691 0.00000 0.00000 108 2S 0.00003 -0.05612 -0.05399 -0.00003 -0.00001 109 3S -0.00004 0.08332 0.08250 0.00004 0.00001 110 4S -0.00004 0.09637 0.08913 0.00004 0.00002 111 5S 0.00050 -1.15158 -1.21523 -0.00059 -0.00010 112 6S -0.00108 2.50393 2.74565 0.00135 0.00017 113 7PX 0.00002 -0.03608 -0.00639 0.00000 -0.00001 114 7PY 0.00001 -0.01633 -0.03672 -0.00002 0.00000 115 7PZ -0.00305 -0.00001 0.00003 -0.04067 0.01879 116 8PX -0.00005 0.11675 0.02103 0.00000 0.00005 117 8PY -0.00003 0.05304 0.11874 0.00005 0.00000 118 8PZ 0.00967 0.00004 -0.00009 0.13118 -0.06068 119 9PX 0.00018 -0.41334 -0.09349 -0.00002 -0.00017 120 9PY 0.00012 -0.19935 -0.42135 -0.00019 0.00001 121 9PZ -0.02335 -0.00014 0.00029 -0.44177 0.20581 122 10PX -0.00020 0.53796 0.29406 0.00013 0.00018 123 10PY -0.00020 0.33905 0.52327 0.00024 -0.00002 124 10PZ -0.05429 0.00011 -0.00027 0.40892 -0.24795 125 11XX 0.00001 -0.02119 0.02846 0.00002 0.00000 126 11YY 0.00000 -0.02159 -0.08665 -0.00004 0.00000 127 11ZZ 0.00004 -0.07144 -0.05621 -0.00003 -0.00001 128 11XY 0.00000 0.00612 -0.00997 -0.00001 0.00000 129 11XZ -0.03468 -0.00001 0.00003 -0.05015 -0.02737 130 11YZ 0.02884 0.00002 -0.00002 0.03355 -0.05168 131 12XX 0.00023 -0.50736 -0.77023 -0.00038 -0.00005 132 12YY 0.00025 -0.49658 -0.21354 -0.00009 -0.00004 133 12ZZ 0.00008 -0.26021 -0.36329 -0.00018 0.00000 134 12XY 0.00002 -0.03235 0.05192 0.00004 0.00001 135 12XZ 0.15572 0.00006 -0.00013 0.23300 0.13971 136 12YZ -0.14251 -0.00011 0.00011 -0.16629 0.25645 137 7 Cl 1S 0.04331 0.00002 -0.01482 0.00000 0.00084 138 2S 0.00195 -0.00001 -0.01307 -0.00001 0.03749 139 2PX -0.00004 -0.00026 -0.00008 0.17589 0.00001 140 2PY 0.00004 0.01434 -0.00001 -0.01161 0.00000 141 2PZ 0.07074 0.00005 0.00614 0.00000 -0.12908 142 3S 1.03139 0.00036 -0.38313 -0.00011 0.11041 143 3PX 0.00016 0.03740 0.00031 -0.71045 -0.00003 144 3PY -0.00015 -0.06314 0.00005 0.04798 -0.00001 145 3PZ -0.33073 -0.00020 0.00287 0.00000 0.50610 146 4S -1.93568 -0.00059 0.83724 0.00026 -0.66113 147 4PX -0.00010 -0.31319 -0.00026 0.92042 0.00003 148 4PY 0.00026 0.04271 -0.00003 -0.07998 0.00003 149 4PZ 0.73805 0.00032 -0.23795 -0.00011 -0.49029 150 5XX 0.14869 0.00000 -0.10059 -0.00004 0.10820 151 5YY -0.12809 -0.00001 0.13241 0.00008 -0.00278 152 5ZZ 0.26015 0.00010 -0.15184 -0.00008 -0.02524 153 5XY -0.17283 -0.00009 0.03569 0.00000 -0.18971 154 5XZ 0.00007 -0.13899 0.00009 0.00349 0.00000 155 5YZ 0.00004 0.04340 -0.00005 0.02009 0.00002 156 8 Cl 1S -0.04331 -0.00003 -0.01481 -0.00001 -0.00084 157 2S -0.00195 -0.00001 -0.01307 -0.00001 -0.03750 158 2PX 0.00001 -0.00028 0.00010 -0.17588 0.00003 159 2PY -0.00005 0.01434 0.00002 0.01161 0.00000 160 2PZ 0.07073 0.00005 -0.00615 0.00000 -0.12908 161 3S -1.03146 -0.00078 -0.38302 -0.00030 -0.11043 162 3PX -0.00006 0.03748 -0.00040 0.71043 -0.00011 163 3PY 0.00020 -0.06314 -0.00008 -0.04797 -0.00001 164 3PZ -0.33071 -0.00025 -0.00283 -0.00001 0.50609 165 4S 1.93586 0.00148 0.83703 0.00065 0.66120 166 4PX 0.00022 -0.31330 0.00064 -0.92037 0.00011 167 4PY -0.00030 0.04271 0.00015 0.07998 0.00000 168 4PZ 0.73807 0.00063 0.23785 0.00018 -0.49026 169 5XX -0.14870 -0.00012 -0.10057 -0.00007 -0.10820 170 5YY 0.12810 0.00018 0.13240 0.00009 0.00278 171 5ZZ -0.26017 -0.00028 -0.15181 -0.00011 0.02523 172 5XY 0.17284 0.00007 0.03567 0.00004 0.18972 173 5XZ -0.00004 0.13898 -0.00008 0.00348 0.00003 174 5YZ 0.00010 -0.04340 -0.00001 0.02010 0.00000 131 132 133 134 135 V V V V V Eigenvalues -- 0.61855 0.64348 0.64738 0.64994 0.65799 1 1 Al 1S 0.00152 0.00946 0.00000 -0.00940 -0.00392 2 2S -0.00224 0.04083 0.00001 -0.03744 0.02492 3 2PX -0.00683 -0.02604 0.00003 -0.02284 -0.00838 4 2PY -0.02105 0.00264 0.00002 -0.02907 0.01142 5 2PZ 0.00000 0.00000 0.01424 0.00001 0.00002 6 3S 0.06974 0.63728 0.00011 -0.60199 0.02770 7 3PX -0.11121 -0.07346 0.00003 -0.00293 0.38534 8 3PY 0.03010 0.05466 0.00001 -0.07817 0.02685 9 3PZ 0.00001 -0.00002 -0.06161 -0.00008 -0.00011 10 4S -0.45558 -2.41342 -0.00039 2.13647 -0.61910 11 4PX -0.14598 1.77392 -0.00019 -0.83140 0.02527 12 4PY 0.97467 -0.42896 -0.00052 0.96767 0.53681 13 4PZ 0.00002 -0.00011 -0.61594 -0.00043 -0.00037 14 5XX 0.15168 -0.26454 -0.00002 0.24908 -0.20282 15 5YY -0.33035 0.02914 0.00010 -0.14533 -0.08444 16 5ZZ 0.09417 0.00871 -0.00010 0.06736 0.10422 17 5XY 0.22007 0.23394 -0.00019 0.11224 -0.04191 18 5XZ 0.00000 -0.00017 -0.19012 -0.00015 -0.00005 19 5YZ 0.00004 -0.00004 -0.19571 -0.00014 -0.00009 20 2 Al 1S 0.00152 -0.00946 0.00000 0.00940 -0.00392 21 2S -0.00229 -0.04083 0.00000 0.03742 0.02493 22 2PX 0.00683 -0.02603 0.00003 -0.02284 0.00838 23 2PY 0.02105 0.00265 0.00002 -0.02906 -0.01145 24 2PZ 0.00000 0.00000 0.01424 0.00001 -0.00002 25 3S 0.06912 -0.63726 -0.00012 0.60189 0.02759 26 3PX 0.11119 -0.07358 0.00001 -0.00267 -0.38534 27 3PY -0.03001 0.05459 0.00001 -0.07812 -0.02677 28 3PZ -0.00002 -0.00004 -0.06160 -0.00006 0.00012 29 4S -0.45322 2.41346 0.00037 -2.13598 -0.61862 30 4PX 0.14751 1.77403 -0.00018 -0.83135 -0.02533 31 4PY -0.97499 -0.42828 -0.00056 0.96777 -0.53590 32 4PZ 0.00002 -0.00013 -0.61590 -0.00041 0.00040 33 5XX 0.15181 0.26444 0.00001 -0.24887 -0.20286 34 5YY -0.33027 -0.02900 -0.00010 0.14528 -0.08424 35 5ZZ 0.09415 -0.00875 0.00011 -0.06739 0.10423 36 5XY 0.22006 -0.23402 0.00019 -0.11224 -0.04208 37 5XZ 0.00003 0.00018 0.19010 0.00013 -0.00008 38 5YZ 0.00004 0.00006 0.19575 0.00013 -0.00010 39 3 Cl 1S -0.01796 -0.01123 0.00000 0.00842 -0.01494 40 2S -0.02231 0.00145 0.00001 -0.01666 -0.00776 41 2PX 0.01100 -0.10523 0.00003 0.01450 0.04602 42 2PY -0.09725 0.03698 0.00008 -0.11510 -0.01208 43 2PZ 0.00000 0.00001 0.05848 0.00004 0.00002 44 3S -0.48809 -0.26442 0.00000 0.15726 -0.37764 45 3PX -0.05374 0.43495 -0.00014 -0.06672 -0.17971 46 3PY 0.36554 -0.15591 -0.00031 0.46363 0.03689 47 3PZ 0.00001 -0.00004 -0.24184 -0.00017 -0.00009 48 4S 1.36934 0.55556 -0.00020 -0.08553 0.94939 49 4PX 0.10942 -0.72744 0.00020 0.16767 0.15515 50 4PY -0.06449 0.28813 0.00029 -0.52719 0.12937 51 4PZ -0.00003 0.00007 0.38764 0.00027 0.00016 52 5XX 0.08402 0.01308 -0.00002 0.03102 -0.03944 53 5YY -0.21046 -0.03203 0.00005 -0.04297 -0.06756 54 5ZZ -0.00875 -0.04588 -0.00002 0.03885 0.00734 55 5XY -0.09825 -0.00720 0.00005 -0.06550 0.07668 56 5XZ 0.00001 -0.00003 -0.03138 -0.00002 -0.00004 57 5YZ 0.00001 -0.00001 -0.01587 -0.00001 -0.00001 58 4 Cl 1S -0.01795 0.01124 0.00000 -0.00841 -0.01492 59 2S -0.02231 -0.00144 -0.00001 0.01666 -0.00774 60 2PX -0.01108 -0.10525 0.00003 0.01454 -0.04604 61 2PY 0.09728 0.03692 0.00008 -0.11508 0.01199 62 2PZ 0.00000 0.00001 0.05847 0.00004 -0.00002 63 3S -0.48782 0.26463 -0.00003 -0.15704 -0.37716 64 3PX 0.05406 0.43501 -0.00012 -0.06688 0.17975 65 3PY -0.36565 -0.15569 -0.00030 0.46353 -0.03657 66 3PZ 0.00000 -0.00005 -0.24183 -0.00017 0.00010 67 4S 1.36870 -0.55615 0.00027 0.08505 0.94802 68 4PX -0.10993 -0.72754 0.00018 0.16781 -0.15518 69 4PY 0.06475 0.28801 0.00027 -0.52700 -0.12941 70 4PZ 0.00001 0.00008 0.38762 0.00026 -0.00017 71 5XX 0.08404 -0.01312 0.00002 -0.03100 -0.03948 72 5YY -0.21044 0.03213 -0.00006 0.04300 -0.06736 73 5ZZ -0.00872 0.04588 0.00002 -0.03883 0.00732 74 5XY -0.09825 0.00722 -0.00005 0.06542 0.07677 75 5XZ 0.00001 0.00003 0.03137 0.00002 -0.00004 76 5YZ 0.00000 0.00001 0.01586 0.00001 -0.00001 77 5 Br 1S 0.00328 0.00235 0.00000 0.00342 -0.00687 78 2S -0.01978 -0.01413 0.00002 -0.01663 0.04233 79 3S 0.02035 0.01421 -0.00001 0.00785 -0.04507 80 4S 0.04968 0.03639 -0.00005 0.05867 -0.10468 81 5S -0.11732 -0.09921 -0.00013 0.21040 0.48861 82 6S -0.00352 0.03260 0.00069 -0.92284 -0.74163 83 7PX 0.00803 0.05852 -0.00003 0.01856 -0.05514 84 7PY 0.05803 -0.01094 -0.00003 0.05081 -0.00642 85 7PZ 0.00000 -0.00001 -0.05167 -0.00004 -0.00002 86 8PX -0.02588 -0.18946 0.00011 -0.05977 0.17848 87 8PY -0.18770 0.03549 0.00011 -0.16437 0.02070 88 8PZ -0.00001 0.00005 0.16751 0.00012 0.00006 89 9PX 0.08037 0.66990 -0.00037 0.18653 -0.62651 90 9PY 0.65573 -0.13230 -0.00037 0.57113 -0.06562 91 9PZ 0.00005 -0.00018 -0.61088 -0.00044 -0.00024 92 10PX 0.02261 -0.81453 0.00025 0.04494 0.70955 93 10PY -0.74864 0.24624 0.00033 -0.59344 0.03571 94 10PZ -0.00005 0.00023 0.80502 0.00058 0.00034 95 11XX -0.01068 -0.01176 0.00001 -0.02581 0.04626 96 11YY -0.02670 0.01034 0.00000 -0.00245 -0.00371 97 11ZZ 0.01327 -0.01548 -0.00001 0.02376 0.01227 98 11XY -0.00251 -0.01499 0.00001 -0.01443 0.01127 99 11XZ -0.00001 0.00002 0.06637 0.00005 0.00002 100 11YZ 0.00000 0.00003 0.05283 0.00004 0.00003 101 12XX -0.01174 0.02056 -0.00015 0.24313 -0.03491 102 12YY 0.08429 -0.09550 -0.00011 0.14870 0.21289 103 12ZZ -0.10820 0.04222 -0.00005 0.02320 0.12736 104 12XY 0.00200 0.06533 -0.00005 0.05728 -0.04953 105 12XZ 0.00004 -0.00012 -0.34436 -0.00025 -0.00012 106 12YZ 0.00002 -0.00014 -0.27329 -0.00021 -0.00013 107 6 Br 1S 0.00328 -0.00235 0.00000 -0.00341 -0.00688 108 2S -0.01979 0.01413 -0.00001 0.01660 0.04234 109 3S 0.02036 -0.01421 0.00001 -0.00782 -0.04507 110 4S 0.04970 -0.03640 0.00005 -0.05860 -0.10471 111 5S -0.11740 0.09906 0.00018 -0.21070 0.48859 112 6S -0.00343 -0.03215 -0.00076 0.92326 -0.74140 113 7PX -0.00800 0.05853 -0.00003 0.01852 0.05513 114 7PY -0.05805 -0.01092 -0.00003 0.05080 0.00648 115 7PZ 0.00000 -0.00002 -0.05167 -0.00004 0.00002 116 8PX 0.02581 -0.18948 0.00009 -0.05965 -0.17844 117 8PY 0.18776 0.03540 0.00011 -0.16432 -0.02091 118 8PZ 0.00001 0.00006 0.16751 0.00012 -0.00007 119 9PX -0.08009 0.66998 -0.00031 0.18611 0.62638 120 9PY -0.65594 -0.13197 -0.00037 0.57097 0.06634 121 9PZ -0.00003 -0.00021 -0.61088 -0.00042 0.00028 122 10PX -0.02303 -0.81456 0.00018 0.04538 -0.70928 123 10PY 0.74889 0.24587 0.00034 -0.59324 -0.03655 124 10PZ 0.00004 0.00027 0.80501 0.00056 -0.00039 125 11XX -0.01069 0.01177 -0.00001 0.02578 0.04624 126 11YY -0.02672 -0.01034 0.00000 0.00245 -0.00368 127 11ZZ 0.01328 0.01546 0.00001 -0.02376 0.01227 128 11XY -0.00250 0.01501 -0.00001 0.01442 0.01129 129 11XZ -0.00001 -0.00003 -0.06636 -0.00005 0.00003 130 11YZ -0.00001 -0.00003 -0.05284 -0.00004 0.00003 131 12XX -0.01174 -0.02068 0.00014 -0.24309 -0.03479 132 12YY 0.08434 0.09543 0.00013 -0.14881 0.21272 133 12ZZ -0.10830 -0.04223 0.00007 -0.02329 0.12734 134 12XY 0.00194 -0.06540 0.00005 -0.05724 -0.04962 135 12XZ 0.00005 0.00015 0.34434 0.00024 -0.00015 136 12YZ 0.00003 0.00015 0.27333 0.00019 -0.00016 137 7 Cl 1S 0.00272 0.00000 -0.01121 0.00000 -0.02760 138 2S 0.00624 0.00001 -0.00176 0.00000 0.00408 139 2PX 0.00000 -0.08244 0.00008 -0.07587 0.00003 140 2PY 0.00001 -0.00039 0.00006 -0.08098 -0.00006 141 2PZ 0.01573 -0.00003 0.01835 0.00003 -0.05291 142 3S 0.07972 -0.00009 -0.27605 0.00001 -0.65439 143 3PX -0.00001 0.32319 -0.00034 0.33229 -0.00012 144 3PY -0.00002 0.01108 -0.00027 0.33227 0.00025 145 3PZ -0.07020 0.00011 -0.08951 -0.00013 0.24016 146 4S -0.28073 0.00013 0.74009 0.00012 1.17874 147 4PX 0.00014 -0.10560 0.00056 -0.78317 0.00029 148 4PY -0.00007 -0.20327 0.00042 -0.43576 -0.00046 149 4PZ 0.19314 -0.00009 0.17382 0.00030 -0.52770 150 5XX 0.04156 -0.00010 -0.28594 -0.00022 0.09029 151 5YY -0.04896 0.00002 0.04328 0.00002 -0.00346 152 5ZZ 0.03638 0.00007 0.18081 0.00021 -0.23623 153 5XY 0.03660 -0.00007 -0.08770 -0.00011 0.16707 154 5XZ 0.00000 0.06996 0.00005 -0.08481 0.00004 155 5YZ -0.00006 -0.04651 0.00001 0.02547 -0.00001 156 8 Cl 1S 0.00272 0.00000 0.01121 0.00002 -0.02760 157 2S 0.00623 -0.00001 0.00176 0.00000 0.00408 158 2PX 0.00000 -0.08244 0.00007 -0.07587 -0.00002 159 2PY -0.00001 -0.00039 0.00007 -0.08098 -0.00002 160 2PZ -0.01574 -0.00002 0.01835 0.00000 0.05291 161 3S 0.07971 -0.00001 0.27602 0.00050 -0.65441 162 3PX 0.00001 0.32321 -0.00031 0.33231 0.00011 163 3PY 0.00006 0.01108 -0.00028 0.33227 0.00008 164 3PZ 0.07023 0.00008 -0.08952 0.00001 -0.24016 165 4S -0.28069 0.00011 -0.74005 -0.00115 1.17877 166 4PX 0.00013 -0.10561 0.00052 -0.78320 -0.00031 167 4PY -0.00015 -0.20328 0.00046 -0.43576 -0.00021 168 4PZ -0.19317 0.00001 0.17385 -0.00008 0.52770 169 5XX 0.04155 0.00007 0.28595 0.00018 0.09028 170 5YY -0.04895 0.00002 -0.04329 -0.00002 -0.00345 171 5ZZ 0.03638 -0.00011 -0.18082 -0.00004 -0.23623 172 5XY 0.03661 0.00006 0.08772 0.00000 0.16705 173 5XZ -0.00003 -0.06996 -0.00003 0.08481 0.00007 174 5YZ -0.00001 0.04650 -0.00002 -0.02546 0.00015 136 137 138 139 140 V V V V V Eigenvalues -- 0.66292 0.67654 0.70551 0.71286 0.75543 1 1 Al 1S 0.00000 0.01218 0.00992 0.01480 0.00688 2 2S 0.00000 0.02238 -0.02217 0.08595 0.02314 3 2PX 0.00000 0.01893 0.01372 0.01130 -0.01039 4 2PY 0.00000 -0.01347 -0.00957 -0.02135 0.00212 5 2PZ -0.03875 0.00000 0.00000 0.00000 0.00000 6 3S 0.00003 0.73110 0.33968 1.09587 0.53740 7 3PX 0.00017 -0.03609 -0.19688 0.03019 0.05436 8 3PY 0.00004 0.24014 0.35651 0.01427 -0.03112 9 3PZ 0.28283 0.00001 0.00000 0.00006 0.00000 10 4S -0.00031 -2.70061 -0.58606 -3.77769 -1.51544 11 4PX 0.00009 0.83723 0.20301 1.85105 0.94962 12 4PY 0.00019 0.51891 0.30751 -0.69264 -0.10948 13 4PZ 0.72902 -0.00013 -0.00003 -0.00005 -0.00007 14 5XX -0.00011 -0.11503 -0.18886 0.13285 -0.00917 15 5YY 0.00000 -0.17659 0.28480 -0.37383 -0.14408 16 5ZZ 0.00001 -0.14818 -0.22838 -0.12238 -0.31081 17 5XY -0.00004 0.10227 0.06591 -0.05077 0.16567 18 5XZ 0.24737 0.00000 -0.00002 0.00000 -0.00002 19 5YZ 0.22950 -0.00001 0.00002 0.00000 -0.00003 20 2 Al 1S 0.00000 -0.01218 0.00990 -0.01482 0.00688 21 2S 0.00001 -0.02240 -0.02230 -0.08592 0.02314 22 2PX 0.00000 0.01893 -0.01370 0.01133 0.01041 23 2PY 0.00000 -0.01346 0.00954 -0.02136 -0.00211 24 2PZ 0.03875 0.00000 0.00000 0.00000 0.00000 25 3S 0.00003 -0.73133 0.33797 -1.09633 0.53729 26 3PX -0.00016 -0.03587 0.19695 0.02986 -0.05445 27 3PY -0.00003 0.24024 -0.35640 0.01476 0.03110 28 3PZ -0.28283 0.00001 0.00000 0.00006 -0.00001 29 4S -0.00030 2.70178 -0.58001 3.77843 -1.51494 30 4PX -0.00012 0.83755 -0.20005 1.85137 -0.94938 31 4PY -0.00012 0.51965 -0.30809 -0.69202 0.10978 32 4PZ -0.72908 -0.00008 0.00003 -0.00002 0.00004 33 5XX -0.00013 0.11526 -0.18901 -0.13264 -0.00921 34 5YY 0.00002 0.17661 0.28544 0.37348 -0.14396 35 5ZZ 0.00002 0.14829 -0.22823 0.12268 -0.31078 36 5XY -0.00003 -0.10235 0.06588 0.05059 0.16564 37 5XZ 0.24730 -0.00001 -0.00002 -0.00001 -0.00002 38 5YZ 0.22951 0.00000 0.00001 -0.00001 -0.00002 39 3 Cl 1S -0.00001 -0.03566 -0.02990 0.00329 -0.01238 40 2S 0.00000 -0.01515 0.01709 -0.02755 -0.00984 41 2PX 0.00001 -0.04179 -0.05041 -0.00557 -0.05032 42 2PY 0.00000 -0.00556 0.10959 -0.07508 -0.01150 43 2PZ -0.04590 0.00001 -0.00001 0.00001 0.00000 44 3S -0.00017 -0.89499 -0.67466 0.00752 -0.32577 45 3PX -0.00005 0.17523 0.20231 0.04598 0.22346 46 3PY -0.00001 -0.00759 -0.45757 0.29720 0.03152 47 3PZ 0.19161 -0.00002 0.00002 -0.00003 -0.00002 48 4S 0.00040 2.15562 1.21273 0.41087 0.76833 49 4PX 0.00001 -0.35472 -0.26021 -0.33451 -0.48499 50 4PY 0.00008 0.46473 0.67864 -0.12475 0.14652 51 4PZ -0.34458 0.00003 -0.00002 0.00003 0.00003 52 5XX -0.00003 0.01275 -0.02876 0.06640 -0.01715 53 5YY -0.00002 -0.22921 -0.06914 -0.05233 -0.09105 54 5ZZ 0.00001 -0.01157 -0.04841 -0.03486 0.02623 55 5XY 0.00006 -0.00814 -0.10479 0.28192 0.20690 56 5XZ 0.09482 0.00000 0.00000 -0.00001 -0.00001 57 5YZ 0.03069 0.00001 -0.00003 0.00002 0.00001 58 4 Cl 1S -0.00001 0.03569 -0.02989 -0.00325 -0.01237 59 2S 0.00000 0.01516 0.01714 0.02753 -0.00983 60 2PX -0.00001 -0.04180 0.05039 -0.00565 0.05029 61 2PY -0.00001 -0.00555 -0.10970 -0.07494 0.01150 62 2PZ 0.04590 0.00000 0.00000 0.00001 0.00000 63 3S -0.00015 0.89569 -0.67431 -0.00658 -0.32544 64 3PX 0.00004 0.17528 -0.20222 0.04628 -0.22337 65 3PY 0.00004 -0.00767 0.45802 0.29662 -0.03154 66 3PZ -0.19161 -0.00001 -0.00002 -0.00002 0.00001 67 4S 0.00031 -2.15721 1.21126 -0.41255 0.76755 68 4PX 0.00000 -0.35495 0.25964 -0.33493 0.48484 69 4PY -0.00009 0.46508 -0.67866 -0.12389 -0.14634 70 4PZ 0.34460 0.00001 0.00002 0.00001 -0.00001 71 5XX -0.00003 -0.01272 -0.02882 -0.06630 -0.01719 72 5YY -0.00001 0.22934 -0.06899 0.05238 -0.09091 73 5ZZ 0.00000 0.01158 -0.04839 0.03490 0.02622 74 5XY 0.00006 0.00805 -0.10518 -0.28177 0.20691 75 5XZ 0.09481 0.00000 0.00000 0.00001 -0.00001 76 5YZ 0.03073 -0.00001 -0.00003 -0.00002 0.00001 77 5 Br 1S 0.00000 -0.00130 0.00043 0.00040 0.00390 78 2S 0.00002 0.00649 -0.00378 -0.00515 -0.02661 79 3S -0.00002 -0.00353 0.00635 0.01141 0.03400 80 4S -0.00005 -0.02227 0.00567 0.00230 0.05663 81 5S 0.00024 0.00190 0.02117 -0.29573 -0.38297 82 6S -0.00039 0.10327 -0.09987 0.78691 0.64379 83 7PX -0.00002 -0.01996 0.00505 0.01920 0.03586 84 7PY -0.00001 0.02810 0.00156 -0.02141 -0.00992 85 7PZ 0.04268 -0.00001 0.00000 0.00000 0.00000 86 8PX 0.00007 0.06462 -0.01613 -0.06268 -0.11672 87 8PY 0.00002 -0.09112 -0.00527 0.06971 0.03229 88 8PZ -0.13861 0.00002 0.00000 0.00001 0.00001 89 9PX -0.00026 -0.22830 0.03896 0.25609 0.43959 90 9PY -0.00007 0.33078 0.02887 -0.26745 -0.12799 91 9PZ 0.51922 -0.00007 -0.00001 -0.00002 -0.00003 92 10PX 0.00030 0.23486 0.06065 -0.55958 -0.62119 93 10PY 0.00008 -0.42714 -0.05885 0.39381 0.24063 94 10PZ -0.74952 0.00010 0.00002 0.00002 0.00006 95 11XX 0.00003 0.04513 0.04595 -0.04190 -0.04528 96 11YY 0.00000 -0.02454 -0.03772 0.04486 0.00868 97 11ZZ 0.00000 -0.01791 -0.01749 -0.01994 -0.00776 98 11XY 0.00001 -0.00797 0.00381 0.01907 0.01671 99 11XZ -0.06490 0.00001 0.00000 0.00000 0.00001 100 11YZ -0.07253 0.00000 0.00000 0.00000 0.00001 101 12XX -0.00004 -0.25370 -0.26817 0.08995 0.04608 102 12YY 0.00010 0.10420 0.18997 -0.39711 -0.25010 103 12ZZ 0.00009 0.06940 0.08060 -0.04722 -0.14332 104 12XY -0.00004 0.03598 -0.02938 -0.09737 -0.10095 105 12XZ 0.34427 -0.00003 -0.00001 0.00000 -0.00003 106 12YZ 0.37565 -0.00002 -0.00001 -0.00001 -0.00003 107 6 Br 1S 0.00000 0.00130 0.00043 -0.00040 0.00390 108 2S 0.00002 -0.00652 -0.00379 0.00516 -0.02663 109 3S -0.00002 0.00355 0.00636 -0.01142 0.03402 110 4S -0.00005 0.02233 0.00569 -0.00231 0.05665 111 5S 0.00022 -0.00221 0.02134 0.29569 -0.38318 112 6S -0.00034 -0.10274 -0.10047 -0.78671 0.64423 113 7PX 0.00002 -0.01999 -0.00503 0.01921 -0.03586 114 7PY 0.00001 0.02810 -0.00158 -0.02140 0.00993 115 7PZ -0.04268 0.00000 0.00000 0.00000 0.00000 116 8PX -0.00006 0.06471 0.01608 -0.06272 0.11675 117 8PY -0.00003 -0.09113 0.00533 0.06967 -0.03232 118 8PZ 0.13862 0.00001 0.00000 0.00000 0.00000 119 9PX 0.00023 -0.22861 -0.03874 0.25618 -0.43969 120 9PY 0.00010 0.33080 -0.02911 -0.26730 0.12810 121 9PZ -0.51926 -0.00004 0.00002 -0.00001 0.00002 122 10PX -0.00026 0.23526 -0.06125 -0.55953 0.62135 123 10PY -0.00011 -0.42719 0.05921 0.39356 -0.24077 124 10PZ 0.74955 0.00006 -0.00003 0.00000 -0.00003 125 11XX 0.00002 -0.04517 0.04599 0.04184 -0.04529 126 11YY 0.00000 0.02455 -0.03778 -0.04482 0.00868 127 11ZZ 0.00000 0.01790 -0.01747 0.01997 -0.00777 128 11XY 0.00001 0.00796 0.00381 -0.01906 0.01672 129 11XZ -0.06489 0.00000 0.00000 0.00000 0.00000 130 11YZ -0.07253 0.00000 0.00000 0.00000 0.00000 131 12XX -0.00004 0.25381 -0.26829 -0.08962 0.04607 132 12YY 0.00009 -0.10438 0.19038 0.39686 -0.25022 133 12ZZ 0.00009 -0.06949 0.08058 0.04709 -0.14337 134 12XY -0.00004 -0.03591 -0.02935 0.09731 -0.10100 135 12XZ 0.34422 0.00002 -0.00002 -0.00001 -0.00002 136 12YZ 0.37568 0.00001 -0.00001 0.00000 -0.00003 137 7 Cl 1S -0.00001 0.00001 0.00866 0.00000 -0.02879 138 2S 0.00000 0.00001 -0.02088 0.00001 -0.04357 139 2PX -0.05455 0.05984 0.00008 0.09536 0.00001 140 2PY 0.04586 -0.03464 -0.00007 -0.07860 0.00000 141 2PZ -0.00002 0.00001 0.07046 -0.00004 0.01975 142 3S -0.00036 0.00034 0.15962 -0.00004 -0.80884 143 3PX 0.24923 -0.26872 -0.00037 -0.42879 -0.00005 144 3PY -0.18123 0.17271 0.00030 0.33159 0.00002 145 3PZ 0.00008 -0.00004 -0.28875 0.00016 -0.04710 146 4S 0.00075 -0.00079 0.01138 -0.00015 2.38714 147 4PX -0.60362 0.65414 0.00088 1.08591 0.00007 148 4PY 0.27195 -0.60106 -0.00060 -0.62350 -0.00011 149 4PZ -0.00023 0.00023 0.34495 -0.00019 -0.45136 150 5XX 0.00002 -0.00004 0.06958 -0.00005 -0.26020 151 5YY 0.00001 -0.00001 -0.12607 0.00012 0.23640 152 5ZZ -0.00012 0.00013 0.06184 -0.00007 -0.20757 153 5XY 0.00005 -0.00012 0.25692 -0.00015 0.08057 154 5XZ -0.09305 0.08133 0.00011 0.16879 0.00000 155 5YZ -0.19228 -0.23173 0.00007 0.11863 -0.00008 156 8 Cl 1S -0.00001 0.00001 0.00866 -0.00001 -0.02879 157 2S 0.00000 0.00001 -0.02088 0.00001 -0.04357 158 2PX 0.05456 0.05984 0.00007 0.09536 0.00000 159 2PY -0.04587 -0.03463 -0.00006 -0.07860 0.00000 160 2PZ 0.00002 0.00000 -0.07046 0.00006 -0.01975 161 3S -0.00032 0.00037 0.15963 -0.00026 -0.80882 162 3PX -0.24925 -0.26871 -0.00032 -0.42878 0.00001 163 3PY 0.18127 0.17269 0.00025 0.33160 0.00001 164 3PZ -0.00009 0.00001 0.28875 -0.00025 0.04710 165 4S 0.00063 -0.00088 0.01136 0.00031 2.38710 166 4PX 0.60365 0.65412 0.00080 1.08591 -0.00002 167 4PY -0.27202 -0.60105 -0.00056 -0.62351 -0.00010 168 4PZ 0.00023 -0.00020 -0.34496 0.00035 0.45135 169 5XX 0.00002 0.00003 0.06957 -0.00008 -0.26020 170 5YY 0.00001 -0.00004 -0.12608 0.00012 0.23639 171 5ZZ -0.00011 0.00011 0.06186 -0.00008 -0.20755 172 5XY 0.00009 -0.00016 0.25693 -0.00018 0.08057 173 5XZ -0.09305 -0.08132 -0.00010 -0.16878 0.00002 174 5YZ -0.19227 0.23174 0.00000 -0.11864 0.00009 141 142 143 144 145 V V V V V Eigenvalues -- 0.80407 0.82442 0.85010 0.85300 0.85752 1 1 Al 1S 0.00000 0.00000 0.00000 -0.00157 -0.00244 2 2S 0.00000 0.00000 0.00000 -0.00315 0.00159 3 2PX 0.00000 0.00001 -0.00001 0.00645 -0.01396 4 2PY 0.00000 0.00001 0.00000 0.01425 0.01078 5 2PZ -0.00471 -0.02296 0.02844 0.00000 0.00000 6 3S -0.00008 -0.00006 0.00007 -0.06076 -0.12797 7 3PX -0.00002 -0.00006 0.00007 -0.07506 0.10112 8 3PY 0.00000 -0.00006 0.00001 -0.12001 -0.04803 9 3PZ -0.04280 0.12558 -0.06374 -0.00001 -0.00001 10 4S 0.00021 -0.00004 0.00001 0.02522 0.43510 11 4PX -0.00012 0.00004 0.00001 0.02021 -0.17662 12 4PY 0.00001 0.00016 -0.00008 0.08393 -0.02762 13 4PZ 0.18246 0.17934 -0.35365 0.00000 0.00004 14 5XX 0.00004 -0.00002 0.00002 -0.05942 0.07358 15 5YY 0.00003 -0.00002 -0.00003 -0.07021 -0.02172 16 5ZZ -0.00005 0.00002 0.00002 0.08228 0.05870 17 5XY -0.00003 -0.00002 0.00003 -0.03578 0.02836 18 5XZ -0.08746 0.13101 -0.06917 0.00000 0.00000 19 5YZ -0.00954 0.14135 -0.14330 0.00000 0.00001 20 2 Al 1S 0.00000 0.00000 0.00000 -0.00157 0.00244 21 2S 0.00000 0.00000 0.00000 -0.00316 -0.00159 22 2PX 0.00000 -0.00001 -0.00001 -0.00645 -0.01396 23 2PY 0.00000 0.00000 0.00000 -0.01425 0.01078 24 2PZ -0.00471 0.02295 0.02844 0.00000 0.00000 25 3S 0.00009 -0.00005 -0.00006 -0.06087 0.12798 26 3PX -0.00001 0.00005 0.00005 0.07506 0.10113 27 3PY -0.00001 0.00004 0.00000 0.12005 -0.04805 28 3PZ -0.04280 -0.12558 -0.06374 0.00000 -0.00001 29 4S -0.00023 -0.00001 0.00001 0.02540 -0.43514 30 4PX -0.00013 -0.00003 0.00003 -0.02011 -0.17662 31 4PY 0.00001 -0.00016 -0.00007 -0.08398 -0.02766 32 4PZ 0.18242 -0.17929 -0.35368 -0.00001 0.00004 33 5XX -0.00004 -0.00002 -0.00002 -0.05939 -0.07360 34 5YY -0.00002 -0.00001 0.00003 -0.07021 0.02174 35 5ZZ 0.00004 0.00002 -0.00002 0.08229 -0.05871 36 5XY 0.00003 -0.00002 -0.00003 -0.03580 -0.02837 37 5XZ 0.08747 0.13098 0.06917 0.00000 0.00000 38 5YZ 0.00955 0.14135 0.14332 0.00001 -0.00001 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00052 0.00396 40 2S 0.00000 0.00000 0.00000 -0.00182 0.00133 41 2PX 0.00000 0.00000 0.00000 -0.00130 0.00020 42 2PY 0.00001 0.00000 0.00000 -0.00721 -0.00494 43 2PZ 0.00315 -0.02772 0.03433 0.00000 0.00000 44 3S 0.00001 -0.00006 0.00004 0.00785 0.10086 45 3PX -0.00001 -0.00001 0.00001 0.00535 -0.00304 46 3PY -0.00002 0.00001 0.00001 0.03042 0.02411 47 3PZ -0.00537 0.11186 -0.14377 0.00000 0.00001 48 4S -0.00005 0.00016 -0.00010 0.00967 -0.24218 49 4PX 0.00003 0.00000 -0.00001 -0.00610 0.02661 50 4PY 0.00001 0.00000 -0.00002 -0.04011 -0.07395 51 4PZ -0.04126 -0.15684 0.23418 0.00000 -0.00002 52 5XX 0.00001 0.00001 0.00010 -0.56537 0.58707 53 5YY 0.00003 -0.00003 0.00000 -0.01920 0.00624 54 5ZZ -0.00003 0.00001 -0.00008 0.58517 -0.57162 55 5XY 0.00000 0.00002 -0.00005 -0.09242 -0.04139 56 5XZ -0.11846 0.18536 -0.32315 0.00000 0.00017 57 5YZ 0.24656 -0.24642 0.10187 0.00002 -0.00002 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00052 -0.00396 59 2S 0.00000 0.00000 0.00000 -0.00182 -0.00133 60 2PX 0.00000 0.00000 0.00000 0.00129 0.00020 61 2PY 0.00000 0.00000 0.00000 0.00721 -0.00494 62 2PZ 0.00315 0.02772 0.03433 0.00000 0.00000 63 3S -0.00003 -0.00006 -0.00003 0.00785 -0.10091 64 3PX -0.00002 0.00001 0.00001 -0.00534 -0.00305 65 3PY -0.00001 -0.00001 0.00001 -0.03042 0.02413 66 3PZ -0.00538 -0.11184 -0.14378 0.00000 0.00001 67 4S 0.00008 0.00015 0.00008 0.00967 0.24226 68 4PX 0.00005 0.00000 -0.00002 0.00608 0.02663 69 4PY -0.00001 -0.00001 -0.00002 0.04011 -0.07399 70 4PZ -0.04124 0.15680 0.23420 0.00001 -0.00002 71 5XX -0.00001 0.00001 -0.00008 -0.56539 -0.58706 72 5YY -0.00003 -0.00003 0.00001 -0.01922 -0.00623 73 5ZZ 0.00003 0.00001 0.00007 0.58521 0.57159 74 5XY 0.00000 0.00002 0.00005 -0.09252 0.04132 75 5XZ 0.11850 0.18538 0.32321 0.00001 -0.00018 76 5YZ -0.24653 -0.24642 -0.10182 0.00002 0.00002 77 5 Br 1S 0.00000 0.00000 0.00000 0.00004 -0.00132 78 2S 0.00000 0.00000 0.00000 0.00055 0.00701 79 3S 0.00000 0.00000 0.00000 -0.00229 -0.00503 80 4S 0.00000 0.00000 0.00000 0.00134 -0.02196 81 5S -0.00002 0.00001 0.00005 -0.06493 0.11688 82 6S 0.00004 -0.00002 -0.00009 0.12820 -0.18146 83 7PX 0.00000 0.00000 0.00000 -0.00069 -0.00220 84 7PY 0.00000 0.00000 0.00000 0.00134 -0.00311 85 7PZ 0.00746 0.00407 -0.01245 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00210 0.00719 87 8PY 0.00000 -0.00001 0.00001 -0.00444 0.01019 88 8PZ -0.02422 -0.01348 0.04078 0.00000 0.00000 89 9PX 0.00000 0.00000 0.00000 0.00527 -0.03083 90 9PY 0.00001 0.00003 -0.00003 0.02541 -0.04533 91 9PZ 0.08778 0.06422 -0.16827 0.00000 0.00002 92 10PX 0.00001 -0.00002 0.00003 -0.08262 0.07622 93 10PY -0.00002 -0.00007 0.00008 -0.09107 0.09777 94 10PZ -0.11711 -0.14431 0.29377 0.00000 -0.00003 95 11XX 0.00000 0.00000 0.00000 -0.00881 -0.00512 96 11YY 0.00000 0.00000 0.00000 0.00036 0.00838 97 11ZZ 0.00000 0.00001 0.00000 0.01236 0.00140 98 11XY 0.00000 -0.00001 0.00001 -0.01320 0.00949 99 11XZ -0.00161 -0.01925 0.02944 0.00000 0.00000 100 11YZ 0.00269 -0.02227 0.02030 0.00000 0.00000 101 12XX -0.00001 0.00002 0.00002 0.04739 0.04642 102 12YY 0.00000 0.00002 -0.00001 -0.00837 -0.02406 103 12ZZ -0.00001 -0.00003 0.00003 -0.08224 0.02050 104 12XY 0.00001 0.00005 -0.00006 0.08687 -0.05801 105 12XZ 0.00731 0.10769 -0.15923 0.00000 0.00001 106 12YZ -0.01412 0.11998 -0.11037 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00004 0.00132 108 2S 0.00000 0.00000 0.00000 0.00055 -0.00702 109 3S 0.00000 0.00000 0.00000 -0.00228 0.00503 110 4S 0.00000 0.00000 0.00000 0.00134 0.02197 111 5S 0.00001 0.00002 -0.00003 -0.06495 -0.11687 112 6S -0.00002 -0.00006 0.00006 0.12825 0.18144 113 7PX 0.00000 0.00000 0.00000 0.00069 -0.00220 114 7PY 0.00000 0.00000 0.00000 -0.00134 -0.00311 115 7PZ 0.00746 -0.00407 -0.01245 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 -0.00210 0.00719 117 8PY 0.00000 0.00001 0.00001 0.00445 0.01020 118 8PZ -0.02421 0.01347 0.04078 0.00000 0.00000 119 9PX -0.00001 0.00000 0.00000 -0.00527 -0.03081 120 9PY 0.00001 -0.00003 -0.00003 -0.02543 -0.04534 121 9PZ 0.08776 -0.06419 -0.16828 0.00000 0.00002 122 10PX 0.00002 0.00001 0.00001 0.08262 0.07619 123 10PY -0.00001 0.00006 0.00007 0.09112 0.09780 124 10PZ -0.11708 0.14426 0.29380 0.00001 -0.00003 125 11XX 0.00000 0.00000 0.00000 -0.00882 0.00513 126 11YY 0.00000 0.00000 0.00000 0.00036 -0.00838 127 11ZZ 0.00000 0.00001 0.00000 0.01236 -0.00141 128 11XY 0.00000 -0.00001 -0.00001 -0.01320 -0.00948 129 11XZ 0.00161 -0.01924 -0.02944 0.00000 0.00000 130 11YZ -0.00269 -0.02227 -0.02031 0.00000 0.00000 131 12XX 0.00000 0.00001 -0.00003 0.04739 -0.04645 132 12YY 0.00001 0.00003 0.00002 -0.00837 0.02410 133 12ZZ 0.00001 -0.00002 -0.00001 -0.08227 -0.02048 134 12XY -0.00001 0.00004 0.00004 0.08691 0.05801 135 12XZ -0.00730 0.10765 0.15923 0.00001 -0.00001 136 12YZ 0.01413 0.11998 0.11040 0.00001 0.00000 137 7 Cl 1S -0.00091 0.00000 -0.00204 0.00086 0.00000 138 2S 0.00856 0.00000 -0.00937 0.00065 0.00000 139 2PX 0.00000 -0.02091 0.00000 0.00000 0.00461 140 2PY 0.00000 -0.02147 0.00001 0.00000 0.01228 141 2PZ -0.04907 0.00000 0.04981 -0.00637 -0.00001 142 3S -0.00160 0.00000 -0.07587 0.02265 -0.00001 143 3PX 0.00000 0.09406 0.00000 0.00000 -0.01566 144 3PY -0.00001 0.08819 -0.00003 0.00000 -0.05619 145 3PZ 0.19871 0.00001 -0.20757 0.02698 0.00003 146 4S -0.12762 -0.00001 0.34403 -0.05438 0.00000 147 4PX -0.00002 -0.20549 -0.00001 0.00001 -0.01936 148 4PY 0.00004 -0.09984 0.00005 0.00000 0.12608 149 4PZ -0.23902 -0.00001 0.27010 -0.02740 -0.00004 150 5XX -0.09138 -0.00007 0.52296 -0.13912 -0.00004 151 5YY -0.33368 0.00007 -0.16953 -0.00011 0.00000 152 5ZZ 0.43766 0.00000 -0.37619 0.14391 0.00004 153 5XY 0.43945 -0.00002 0.13392 0.11028 -0.00005 154 5XZ -0.00004 0.21854 -0.00005 0.00002 -0.13371 155 5YZ -0.00005 0.55570 -0.00005 0.00002 -0.15016 156 8 Cl 1S 0.00091 0.00000 0.00204 0.00086 0.00000 157 2S -0.00856 0.00000 0.00937 0.00065 0.00000 158 2PX 0.00000 0.02091 0.00000 0.00000 0.00461 159 2PY 0.00000 0.02147 0.00001 0.00000 0.01228 160 2PZ -0.04907 0.00000 0.04981 0.00637 -0.00001 161 3S 0.00160 -0.00002 0.07587 0.02265 0.00002 162 3PX 0.00000 -0.09406 0.00000 -0.00001 -0.01567 163 3PY 0.00000 -0.08819 -0.00004 0.00000 -0.05619 164 3PZ 0.19873 0.00000 -0.20758 -0.02700 0.00004 165 4S 0.12763 0.00004 -0.34404 -0.05439 0.00000 166 4PX -0.00001 0.20550 0.00001 0.00002 -0.01936 167 4PY 0.00001 0.09984 0.00008 0.00000 0.12608 168 4PZ -0.23903 -0.00002 0.27011 0.02741 -0.00005 169 5XX 0.09137 0.00002 -0.52294 -0.13913 0.00003 170 5YY 0.33368 0.00000 0.16952 -0.00010 0.00000 171 5ZZ -0.43765 -0.00002 0.37618 0.14393 -0.00003 172 5XY -0.43944 -0.00012 -0.13392 0.11027 -0.00001 173 5XZ -0.00003 0.21854 0.00004 0.00000 0.13371 174 5YZ 0.00000 0.55569 0.00012 0.00000 0.15016 146 147 148 149 150 V V V V V Eigenvalues -- 0.86493 0.86717 0.89138 0.91487 0.91720 1 1 Al 1S 0.00000 0.00000 -0.01202 -0.00292 0.01285 2 2S 0.00000 0.00000 0.01503 0.02204 0.00114 3 2PX 0.00000 -0.00001 0.04030 -0.01911 -0.02103 4 2PY 0.00000 0.00000 0.01362 0.00883 0.01173 5 2PZ 0.02123 0.01318 0.00001 -0.00001 -0.00001 6 3S 0.00010 0.00005 -0.42650 -0.04785 0.56180 7 3PX 0.00001 0.00006 -0.37806 0.12035 0.21743 8 3PY 0.00003 0.00002 -0.10096 -0.06833 -0.06091 9 3PZ -0.10677 -0.10193 -0.00006 0.00005 0.00006 10 4S -0.00015 0.00003 -0.52220 -0.28639 -0.31147 11 4PX 0.00009 -0.00001 -0.01153 -0.08791 0.39872 12 4PY -0.00006 -0.00012 0.63586 -0.69962 -0.62073 13 4PZ -0.14319 -0.20413 -0.00010 0.00005 0.00007 14 5XX 0.00000 0.00004 -0.16188 0.33057 0.29980 15 5YY -0.00001 -0.00001 0.17754 -0.00584 -0.23733 16 5ZZ -0.00002 -0.00001 -0.04960 -0.26421 -0.12828 17 5XY 0.00002 0.00002 -0.15874 0.06144 0.12567 18 5XZ -0.11412 -0.08495 -0.00003 0.00002 0.00001 19 5YZ -0.07743 -0.06375 -0.00003 -0.00003 0.00001 20 2 Al 1S 0.00000 0.00000 -0.01202 -0.00294 -0.01284 21 2S 0.00000 0.00000 0.01503 0.02204 -0.00117 22 2PX 0.00000 0.00001 -0.04030 0.01907 -0.02106 23 2PY 0.00000 0.00000 -0.01363 -0.00881 0.01174 24 2PZ 0.02122 -0.01319 -0.00001 0.00001 -0.00001 25 3S -0.00010 0.00005 -0.42650 -0.04887 -0.56179 26 3PX 0.00001 -0.00006 0.37803 -0.11998 0.21764 27 3PY 0.00002 -0.00002 0.10100 0.06821 -0.06097 28 3PZ -0.10672 0.10199 0.00005 -0.00004 0.00006 29 4S 0.00016 0.00002 -0.52202 -0.28586 0.31195 30 4PX 0.00009 0.00001 0.01166 0.08856 0.39863 31 4PY -0.00005 0.00012 -0.63585 0.69857 -0.62196 32 4PZ -0.14309 0.20423 0.00010 -0.00004 0.00007 33 5XX 0.00000 0.00004 -0.16184 0.33004 -0.30039 34 5YY 0.00001 -0.00001 0.17750 -0.00540 0.23732 35 5ZZ 0.00002 -0.00001 -0.04961 -0.26399 0.12878 36 5XY -0.00001 0.00002 -0.15877 0.06124 -0.12588 37 5XZ 0.11408 -0.08500 -0.00003 0.00002 -0.00001 38 5YZ 0.07742 -0.06380 -0.00003 -0.00003 -0.00002 39 3 Cl 1S 0.00000 0.00000 -0.02164 0.00797 0.01603 40 2S 0.00000 0.00000 0.00030 0.00300 -0.00074 41 2PX 0.00000 0.00000 0.00812 -0.00324 -0.01070 42 2PY 0.00000 0.00000 0.04067 -0.00033 -0.02955 43 2PZ 0.01555 0.00792 0.00000 0.00000 0.00000 44 3S 0.00001 0.00006 -0.53499 0.20619 0.39582 45 3PX 0.00001 0.00001 -0.03231 0.01284 0.04652 46 3PY 0.00000 0.00001 -0.18572 0.00517 0.13622 47 3PZ -0.06495 -0.03404 -0.00002 0.00002 0.00002 48 4S -0.00001 -0.00014 1.14457 -0.52986 -0.84120 49 4PX -0.00002 -0.00001 0.04849 -0.00831 -0.10021 50 4PY 0.00001 -0.00003 0.38573 -0.05854 -0.28742 51 4PZ 0.10774 0.07439 0.00003 -0.00004 -0.00004 52 5XX -0.00011 0.00001 -0.16687 -0.12309 -0.09056 53 5YY 0.00000 0.00001 0.01724 0.04973 -0.06922 54 5ZZ 0.00011 -0.00001 0.05038 0.11178 0.23248 55 5XY 0.00001 -0.00001 0.16262 -0.05716 -0.19326 56 5XZ 0.60489 0.67039 0.00005 -0.00001 0.00000 57 5YZ 0.19428 0.11559 0.00008 -0.00012 -0.00007 58 4 Cl 1S 0.00000 0.00000 -0.02163 0.00794 -0.01605 59 2S 0.00000 0.00000 0.00030 0.00300 0.00073 60 2PX 0.00000 0.00000 -0.00811 0.00322 -0.01070 61 2PY 0.00000 0.00000 -0.04066 0.00028 -0.02955 62 2PZ 0.01554 -0.00792 0.00000 0.00000 0.00000 63 3S 0.00000 0.00006 -0.53497 0.20551 -0.39619 64 3PX 0.00001 -0.00001 0.03228 -0.01274 0.04654 65 3PY 0.00000 -0.00001 0.18571 -0.00492 0.13624 66 3PZ -0.06494 0.03408 0.00002 -0.00001 0.00002 67 4S -0.00001 -0.00014 1.14450 -0.52842 0.84216 68 4PX -0.00002 0.00001 -0.04843 0.00809 -0.10021 69 4PY 0.00001 0.00003 -0.38571 0.05803 -0.28755 70 4PZ 0.10771 -0.07446 -0.00003 0.00003 -0.00003 71 5XX 0.00012 0.00001 -0.16687 -0.12295 0.09072 72 5YY 0.00000 0.00001 0.01727 0.04985 0.06918 73 5ZZ -0.00012 -0.00001 0.05036 0.11139 -0.23266 74 5XY -0.00001 0.00000 0.16260 -0.05688 0.19331 75 5XZ -0.60450 0.67068 0.00005 -0.00002 0.00000 76 5YZ -0.19428 0.11579 0.00007 -0.00010 0.00006 77 5 Br 1S 0.00000 0.00000 0.00074 0.00544 0.00032 78 2S 0.00000 0.00000 -0.00583 -0.03677 -0.00161 79 3S 0.00000 0.00000 0.00908 0.04573 0.00087 80 4S 0.00000 0.00000 0.00930 0.08320 0.00574 81 5S 0.00000 0.00000 -0.39963 -0.55168 0.18821 82 6S -0.00002 -0.00001 0.85964 1.09091 -0.41251 83 7PX 0.00000 0.00000 -0.00122 0.01545 0.00769 84 7PY 0.00000 0.00000 0.01181 0.00167 -0.01106 85 7PZ -0.00516 -0.00474 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00360 -0.05063 -0.02499 87 8PY 0.00000 0.00000 -0.03915 -0.00523 0.03670 88 8PZ 0.01700 0.01558 0.00001 -0.00001 -0.00001 89 9PX 0.00001 0.00001 0.01851 0.19822 0.07984 90 9PY -0.00002 -0.00003 0.19682 -0.00131 -0.18620 91 9PZ -0.07560 -0.06804 -0.00003 0.00002 0.00003 92 10PX -0.00001 0.00001 -0.22168 -0.31250 -0.02340 93 10PY 0.00004 0.00007 -0.54298 0.09609 0.49903 94 10PZ 0.14867 0.13721 0.00006 -0.00004 -0.00005 95 11XX 0.00000 0.00000 0.00190 -0.04154 -0.02232 96 11YY 0.00000 0.00000 -0.03439 0.01258 0.04001 97 11ZZ 0.00000 0.00000 0.02018 -0.03106 -0.01831 98 11XY 0.00000 0.00001 -0.05785 0.01401 0.04542 99 11XZ 0.01850 0.01191 0.00000 0.00000 0.00000 100 11YZ 0.01735 0.01484 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00001 -0.15506 -0.03461 0.18156 102 12YY 0.00000 -0.00003 0.03617 -0.32984 -0.16167 103 12ZZ 0.00002 0.00002 -0.29611 -0.07324 0.19059 104 12XY -0.00002 -0.00005 0.35425 -0.10281 -0.28361 105 12XZ -0.10196 -0.06796 -0.00002 0.00000 0.00002 106 12YZ -0.09386 -0.08095 -0.00002 0.00001 0.00001 107 6 Br 1S 0.00000 0.00000 0.00074 0.00544 -0.00033 108 2S 0.00000 0.00000 -0.00583 -0.03677 0.00168 109 3S 0.00000 0.00000 0.00908 0.04573 -0.00095 110 4S 0.00000 0.00000 0.00931 0.08319 -0.00589 111 5S -0.00001 0.00001 -0.39961 -0.55203 -0.18727 112 6S 0.00002 -0.00001 0.85957 1.09168 0.41066 113 7PX 0.00000 0.00000 0.00122 -0.01544 0.00772 114 7PY 0.00000 0.00000 -0.01181 -0.00170 -0.01106 115 7PZ -0.00516 0.00474 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 -0.00360 0.05058 -0.02508 117 8PY 0.00000 0.00000 0.03914 0.00530 0.03669 118 8PZ 0.01699 -0.01559 -0.00001 0.00000 -0.00001 119 9PX 0.00001 -0.00001 -0.01850 -0.19806 0.08021 120 9PY -0.00001 0.00003 -0.19680 0.00096 -0.18620 121 9PZ -0.07557 0.06809 0.00003 -0.00002 0.00003 122 10PX -0.00001 -0.00001 0.22161 0.31246 -0.02398 123 10PY 0.00003 -0.00007 0.54296 -0.09516 0.49923 124 10PZ 0.14861 -0.13730 -0.00005 0.00003 -0.00005 125 11XX 0.00000 0.00000 0.00191 -0.04151 0.02240 126 11YY 0.00000 0.00000 -0.03440 0.01251 -0.04004 127 11ZZ 0.00000 0.00000 0.02018 -0.03103 0.01837 128 11XY 0.00000 0.00001 -0.05784 0.01392 -0.04544 129 11XZ -0.01849 0.01192 0.00000 0.00000 0.00000 130 11YZ -0.01734 0.01485 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00001 -0.15512 -0.03492 -0.18155 132 12YY 0.00000 -0.00003 0.03624 -0.32958 0.16230 133 12ZZ -0.00001 0.00002 -0.29610 -0.07357 -0.19050 134 12XY 0.00002 -0.00005 0.35419 -0.10227 0.28378 135 12XZ 0.10192 -0.06801 -0.00002 0.00000 -0.00002 136 12YZ 0.09384 -0.08101 -0.00002 0.00000 -0.00001 137 7 Cl 1S -0.00583 0.00000 -0.00222 -0.00822 0.00001 138 2S 0.00228 0.00000 -0.00485 -0.01090 0.00001 139 2PX 0.00000 0.02720 0.00001 0.00001 0.01669 140 2PY 0.00000 -0.01694 0.00000 0.00003 0.03759 141 2PZ -0.00118 0.00000 0.01200 0.00356 -0.00001 142 3S -0.13996 0.00004 -0.06736 -0.23288 0.00026 143 3PX -0.00002 -0.12013 -0.00004 -0.00005 -0.07850 144 3PY 0.00001 0.06938 0.00001 -0.00015 -0.17443 145 3PZ 0.00376 0.00000 -0.04854 -0.01062 0.00002 146 4S 0.28500 -0.00008 0.16079 0.62115 -0.00068 147 4PX 0.00007 0.24123 0.00009 0.00012 0.19493 148 4PY -0.00003 -0.10688 -0.00003 0.00031 0.37417 149 4PZ -0.00663 -0.00002 0.05744 -0.11357 0.00008 150 5XX 0.24140 -0.00005 0.10237 0.58966 -0.00058 151 5YY -0.14053 0.00001 0.04568 -0.30957 0.00027 152 5ZZ -0.11969 0.00004 -0.16564 -0.33182 0.00037 153 5XY 0.08621 0.00002 -0.49800 0.04117 -0.00006 154 5XZ 0.00000 -0.06298 -0.00002 -0.00010 -0.07381 155 5YZ -0.00003 -0.10202 -0.00003 -0.00041 -0.49010 156 8 Cl 1S 0.00583 0.00000 -0.00221 -0.00822 0.00000 157 2S -0.00228 0.00000 -0.00485 -0.01090 0.00001 158 2PX -0.00001 -0.02720 -0.00001 0.00002 0.01669 159 2PY 0.00001 0.01694 0.00000 0.00003 0.03759 160 2PZ -0.00118 0.00000 -0.01200 -0.00356 0.00000 161 3S 0.13996 -0.00004 -0.06735 -0.23288 0.00012 162 3PX 0.00003 0.12013 0.00004 -0.00009 -0.07851 163 3PY -0.00003 -0.06939 0.00001 -0.00015 -0.17443 164 3PZ 0.00376 0.00000 0.04855 0.01063 -0.00001 165 4S -0.28500 0.00010 0.16077 0.62116 -0.00034 166 4PX -0.00004 -0.24123 -0.00010 0.00023 0.19494 167 4PY 0.00005 0.10688 -0.00003 0.00032 0.37417 168 4PZ -0.00663 0.00002 -0.05745 0.11355 -0.00007 169 5XX -0.24139 0.00009 0.10237 0.58967 -0.00043 170 5YY 0.14052 -0.00007 0.04569 -0.30956 0.00019 171 5ZZ 0.11969 -0.00003 -0.16564 -0.33185 0.00027 172 5XY -0.08620 0.00010 -0.49799 0.04117 -0.00007 173 5XZ -0.00005 -0.06298 -0.00007 0.00006 0.07382 174 5YZ 0.00000 -0.10202 -0.00007 0.00044 0.49010 151 152 153 154 155 V V V V V Eigenvalues -- 0.95302 0.96074 0.96508 0.97382 1.00317 1 1 Al 1S -0.01921 0.00000 0.00000 -0.02132 -0.01613 2 2S 0.07239 0.00000 -0.00003 0.03918 0.05075 3 2PX 0.06435 -0.00002 -0.00002 0.04903 -0.00741 4 2PY 0.06766 -0.00001 -0.00002 0.06158 0.04311 5 2PZ 0.00000 0.02466 -0.02499 0.00001 0.00000 6 3S -0.48087 0.00020 0.00006 -0.72016 -0.44005 7 3PX -0.63131 0.00012 0.00019 -0.46393 -0.05242 8 3PY -0.56616 0.00010 0.00019 -0.54763 -0.34717 9 3PZ 0.00001 -0.12994 0.11113 -0.00007 0.00001 10 4S -1.98254 0.00003 0.00080 -0.77457 -0.94706 11 4PX 0.25028 0.00012 -0.00019 -0.27322 0.50249 12 4PY -0.60001 0.00004 0.00024 -0.70306 -0.14693 13 4PZ 0.00000 -0.15119 0.12498 -0.00008 0.00000 14 5XX -0.17010 0.00012 0.00002 -0.28999 -0.10090 15 5YY -0.04902 0.00001 0.00003 -0.05026 -0.05331 16 5ZZ 0.17706 -0.00013 -0.00003 0.31589 0.09434 17 5XY -0.19176 0.00001 0.00008 -0.12930 -0.41425 18 5XZ -0.00001 0.06393 -0.08044 0.00003 0.00001 19 5YZ -0.00014 0.35230 -0.33597 0.00012 -0.00004 20 2 Al 1S 0.01921 0.00001 -0.00001 -0.02132 -0.01613 21 2S -0.07238 -0.00001 0.00003 0.03920 0.05076 22 2PX 0.06435 0.00002 -0.00002 -0.04902 0.00741 23 2PY 0.06766 0.00002 -0.00003 -0.06158 -0.04312 24 2PZ 0.00000 -0.02466 -0.02499 -0.00001 0.00000 25 3S 0.48073 0.00023 -0.00015 -0.72017 -0.44015 26 3PX -0.63129 -0.00018 0.00025 0.46384 0.05243 27 3PY -0.56618 -0.00015 0.00025 0.54769 0.34723 28 3PZ 0.00000 0.12991 0.11116 0.00006 -0.00001 29 4S 1.98255 0.00022 -0.00089 -0.77486 -0.94726 30 4PX 0.25035 -0.00008 -0.00015 0.27302 -0.50246 31 4PY -0.60000 -0.00010 0.00031 0.70316 0.14712 32 4PZ 0.00000 0.15116 0.12502 0.00006 -0.00001 33 5XX 0.17003 0.00013 -0.00007 -0.28995 -0.10080 34 5YY 0.04905 0.00002 -0.00003 -0.05028 -0.05339 35 5ZZ -0.17699 -0.00014 0.00007 0.31590 0.09436 36 5XY 0.19170 0.00003 -0.00009 -0.12938 -0.41425 37 5XZ 0.00001 0.06386 0.08042 0.00002 0.00000 38 5YZ 0.00011 0.35221 0.33608 0.00008 -0.00004 39 3 Cl 1S -0.00442 0.00000 0.00000 0.00222 -0.00743 40 2S -0.00375 0.00000 0.00000 -0.00007 -0.00278 41 2PX 0.01629 -0.00001 0.00000 0.00952 -0.03401 42 2PY 0.01856 0.00000 0.00000 0.00879 0.00989 43 2PZ -0.00001 0.01610 -0.01814 0.00001 0.00000 44 3S -0.12011 0.00002 0.00002 0.05629 -0.19397 45 3PX -0.07219 0.00003 0.00001 -0.04728 0.16266 46 3PY -0.08816 0.00002 0.00002 -0.04304 -0.04998 47 3PZ 0.00003 -0.07970 0.08880 -0.00003 0.00000 48 4S 0.25873 -0.00002 -0.00006 -0.21671 0.39493 49 4PX 0.14200 -0.00008 -0.00001 0.15216 -0.39019 50 4PY 0.21080 -0.00003 -0.00005 0.07515 0.13587 51 4PZ -0.00006 0.20429 -0.21526 0.00009 -0.00001 52 5XX -0.13948 0.00000 0.00004 -0.00324 0.11196 53 5YY 0.13406 -0.00002 -0.00005 0.16020 -0.06883 54 5ZZ -0.01903 0.00002 0.00002 -0.15055 -0.07694 55 5XY 0.25978 -0.00014 -0.00001 0.26526 -0.53166 56 5XZ 0.00003 -0.05566 0.09242 -0.00003 0.00002 57 5YZ -0.00023 0.62925 -0.60357 0.00021 -0.00005 58 4 Cl 1S 0.00442 0.00000 0.00000 0.00222 -0.00743 59 2S 0.00375 0.00000 0.00000 -0.00007 -0.00278 60 2PX 0.01628 0.00001 0.00000 -0.00952 0.03400 61 2PY 0.01856 0.00000 0.00000 -0.00879 -0.00989 62 2PZ 0.00000 -0.01610 -0.01815 0.00000 0.00000 63 3S 0.12013 0.00002 -0.00002 0.05629 -0.19390 64 3PX -0.07217 -0.00003 0.00002 0.04728 -0.16263 65 3PY -0.08816 -0.00002 0.00002 0.04305 0.04997 66 3PZ 0.00002 0.07967 0.08881 0.00002 -0.00001 67 4S -0.25878 -0.00002 0.00004 -0.21669 0.39476 68 4PX 0.14196 0.00008 -0.00003 -0.15214 0.39013 69 4PY 0.21083 0.00004 -0.00007 -0.07519 -0.13583 70 4PZ -0.00005 -0.20423 -0.21531 -0.00006 0.00002 71 5XX 0.13953 0.00001 -0.00004 -0.00332 0.11203 72 5YY -0.13411 -0.00003 0.00007 0.16026 -0.06888 73 5ZZ 0.01904 0.00002 -0.00004 -0.15053 -0.07694 74 5XY -0.25986 -0.00015 0.00005 0.26516 -0.53158 75 5XZ -0.00003 -0.05570 -0.09251 -0.00002 0.00002 76 5YZ 0.00018 0.62908 0.60372 0.00014 -0.00004 77 5 Br 1S 0.00635 0.00000 0.00000 0.00645 -0.00109 78 2S -0.04623 0.00000 0.00001 -0.04574 0.00402 79 3S 0.06459 -0.00001 -0.00002 0.06160 0.00232 80 4S 0.09100 -0.00001 -0.00003 0.09463 -0.02373 81 5S -1.66947 0.00027 0.00052 -1.57802 -0.58533 82 6S 3.76329 -0.00062 -0.00118 3.51870 1.47263 83 7PX 0.01200 0.00000 0.00000 0.00835 0.00224 84 7PY 0.00232 0.00000 0.00000 0.00276 -0.01156 85 7PZ 0.00000 -0.00359 0.00340 0.00000 0.00000 86 8PX -0.04055 0.00000 0.00002 -0.02855 -0.00827 87 8PY -0.00857 0.00001 0.00000 -0.00994 0.03732 88 8PZ 0.00000 0.01157 -0.01091 0.00000 0.00000 89 9PX 0.26008 -0.00001 -0.00009 0.20714 0.11072 90 9PY 0.10741 -0.00004 -0.00001 0.11022 -0.10224 91 9PZ 0.00001 -0.03545 0.03223 -0.00001 0.00000 92 10PX -1.06955 0.00013 0.00036 -0.92484 -0.62445 93 10PY -0.62883 0.00017 0.00015 -0.60134 -0.11193 94 10PZ -0.00003 0.03570 -0.02718 -0.00001 -0.00001 95 11XX -0.07338 0.00001 0.00003 -0.06618 -0.04800 96 11YY -0.03335 0.00001 0.00001 -0.03410 0.01464 97 11ZZ 0.01986 -0.00001 0.00000 0.01824 0.02820 98 11XY -0.07999 0.00002 0.00002 -0.07330 -0.04262 99 11XZ 0.00000 -0.01466 0.01502 -0.00001 0.00000 100 11YZ 0.00000 -0.00302 0.00409 0.00000 0.00000 101 12XX -0.25230 0.00006 0.00006 -0.24173 0.05723 102 12YY -0.51494 0.00004 0.00019 -0.45714 -0.32909 103 12ZZ -0.85743 0.00017 0.00025 -0.79463 -0.44573 104 12XY 0.52042 -0.00013 -0.00014 0.48113 0.30329 105 12XZ -0.00001 0.07972 -0.08185 0.00005 0.00001 106 12YZ 0.00000 0.01931 -0.02537 0.00002 0.00001 107 6 Br 1S -0.00635 0.00000 0.00000 0.00645 -0.00109 108 2S 0.04623 0.00001 -0.00002 -0.04574 0.00401 109 3S -0.06459 -0.00001 0.00003 0.06160 0.00234 110 4S -0.09102 -0.00001 0.00004 0.09462 -0.02370 111 5S 1.66945 0.00041 -0.00070 -1.57805 -0.58565 112 6S -3.76320 -0.00094 0.00158 3.51880 1.47329 113 7PX 0.01200 0.00000 -0.00001 -0.00835 -0.00224 114 7PY 0.00233 0.00000 0.00000 -0.00276 0.01156 115 7PZ 0.00000 0.00359 0.00340 0.00000 0.00000 116 8PX -0.04055 0.00000 0.00002 0.02854 0.00829 117 8PY -0.00859 0.00000 0.00000 0.00994 -0.03732 118 8PZ 0.00000 -0.01157 -0.01091 0.00000 0.00000 119 9PX 0.26010 0.00003 -0.00012 -0.20712 -0.11079 120 9PY 0.10746 0.00004 -0.00003 -0.11023 0.10223 121 9PZ 0.00001 0.03545 0.03224 0.00000 0.00000 122 10PX -1.06945 -0.00023 0.00046 0.92480 0.62461 123 10PY -0.62894 -0.00022 0.00023 0.60145 0.11203 124 10PZ -0.00003 -0.03570 -0.02718 0.00002 0.00001 125 11XX 0.07336 0.00001 -0.00003 -0.06617 -0.04801 126 11YY 0.03337 0.00001 -0.00001 -0.03411 0.01463 127 11ZZ -0.01985 -0.00001 0.00001 0.01824 0.02819 128 11XY 0.07999 0.00003 -0.00003 -0.07330 -0.04263 129 11XZ 0.00000 -0.01466 -0.01502 -0.00001 0.00000 130 11YZ 0.00000 -0.00302 -0.00409 0.00000 0.00000 131 12XX 0.25243 0.00008 -0.00010 -0.24183 0.05713 132 12YY 0.51481 0.00009 -0.00023 -0.45708 -0.32912 133 12ZZ 0.85738 0.00024 -0.00035 -0.79465 -0.44584 134 12XY -0.52041 -0.00017 0.00020 0.48118 0.30337 135 12XZ 0.00000 0.07969 0.08187 0.00004 0.00001 136 12YZ -0.00001 0.01931 0.02539 0.00002 0.00001 137 7 Cl 1S 0.00000 0.00000 0.00385 -0.01220 -0.02246 138 2S 0.00000 0.00000 0.00089 -0.01278 -0.02102 139 2PX 0.04994 0.01292 -0.00002 0.00000 -0.00001 140 2PY 0.00044 -0.00833 0.00000 0.00000 0.00000 141 2PZ -0.00001 0.00000 -0.00367 -0.01565 -0.02294 142 3S -0.00001 0.00002 0.10170 -0.34034 -0.62456 143 3PX -0.23811 -0.05550 0.00008 0.00000 0.00003 144 3PY -0.00935 0.04918 0.00001 0.00002 0.00001 145 3PZ 0.00003 -0.00003 0.01504 0.08718 0.11958 146 4S 0.00000 -0.00003 -0.23376 0.84862 1.64063 147 4PX 0.71830 0.12194 -0.00027 0.00001 -0.00009 148 4PY 0.07968 -0.14777 -0.00006 -0.00008 -0.00005 149 4PZ -0.00007 0.00005 -0.00687 -0.32180 -0.51565 150 5XX 0.00005 0.00003 0.09907 0.02931 -0.07139 151 5YY -0.00010 0.00010 -0.14509 -0.34151 -0.04634 152 5ZZ 0.00005 -0.00012 0.05707 0.24552 0.00902 153 5XY 0.00001 -0.00005 0.24929 0.22247 -0.06790 154 5XZ -0.31030 0.08109 0.00011 0.00002 0.00003 155 5YZ -0.23704 0.22005 0.00015 0.00008 0.00001 156 8 Cl 1S 0.00000 0.00000 -0.00385 -0.01220 -0.02246 157 2S 0.00000 0.00000 -0.00090 -0.01278 -0.02102 158 2PX 0.04994 -0.01292 -0.00002 -0.00001 0.00000 159 2PY 0.00044 0.00833 0.00000 0.00001 0.00000 160 2PZ 0.00000 0.00000 -0.00367 0.01565 0.02294 161 3S -0.00005 0.00005 -0.10173 -0.34033 -0.62456 162 3PX -0.23811 0.05548 0.00010 0.00003 0.00002 163 3PY -0.00934 -0.04918 0.00000 -0.00003 0.00002 164 3PZ -0.00001 0.00002 0.01503 -0.08718 -0.11958 165 4S 0.00010 -0.00009 0.23383 0.84860 1.64065 166 4PX 0.71831 -0.12187 -0.00031 -0.00008 -0.00006 167 4PY 0.07967 0.14779 -0.00003 0.00008 -0.00008 168 4PZ 0.00001 -0.00005 -0.00684 0.32181 0.51565 169 5XX -0.00006 0.00011 -0.09908 0.02932 -0.07139 170 5YY 0.00006 0.00001 0.14506 -0.34153 -0.04633 171 5ZZ 0.00000 -0.00011 -0.05704 0.24553 0.00902 172 5XY -0.00008 -0.00001 -0.24927 0.22249 -0.06791 173 5XZ 0.31029 0.08112 -0.00011 0.00002 -0.00006 174 5YZ 0.23702 0.22008 -0.00008 0.00007 -0.00007 156 157 158 159 160 V V V V V Eigenvalues -- 1.02797 1.09690 1.09728 1.10331 1.15212 1 1 Al 1S 0.00682 -0.00051 0.00894 0.01597 -0.00001 2 2S -0.10987 0.00676 -0.11931 -0.05770 0.00003 3 2PX -0.00908 -0.00615 0.10793 0.13583 -0.00006 4 2PY -0.03215 -0.00228 0.04001 0.03480 -0.00002 5 2PZ 0.00000 0.08192 0.00464 -0.00001 -0.08386 6 3S -0.23539 -0.00406 0.07275 0.57212 -0.00039 7 3PX 0.21453 0.04344 -0.76176 -1.13094 0.00045 8 3PY 0.26642 0.02488 -0.43723 -0.31463 0.00017 9 3PZ -0.00001 -0.62550 -0.03548 -0.00001 0.49773 10 4S 3.49937 -0.11557 2.04256 0.38533 -0.00029 11 4PX -1.61446 0.05822 -1.02702 -0.44505 0.00021 12 4PY 0.55916 -0.01181 0.20987 -0.21361 0.00008 13 4PZ 0.00003 -0.06983 -0.00391 0.00012 0.35011 14 5XX 0.07330 0.02238 -0.39402 -0.18403 0.00012 15 5YY 0.13170 0.01751 -0.30791 -0.26266 0.00010 16 5ZZ -0.04803 -0.00792 0.13858 0.03414 0.00002 17 5XY 0.49509 0.02703 -0.47413 -0.53436 0.00022 18 5XZ -0.00001 0.54771 0.03102 -0.00004 -0.47807 19 5YZ 0.00004 -0.22287 -0.01264 0.00000 0.19345 20 2 Al 1S -0.00682 0.00050 -0.00892 0.01598 -0.00001 21 2S 0.10986 -0.00673 0.11925 -0.05781 0.00002 22 2PX -0.00908 -0.00608 0.10781 -0.13592 0.00004 23 2PY -0.03215 -0.00226 0.04000 -0.03485 0.00001 24 2PZ 0.00000 0.08191 0.00465 0.00005 0.08387 25 3S 0.23550 0.00380 -0.07227 0.57216 -0.00033 26 3PX 0.21452 0.04286 -0.76078 1.13156 -0.00036 27 3PY 0.26642 0.02472 -0.43707 0.31513 -0.00012 28 3PZ 0.00000 -0.62546 -0.03552 -0.00029 -0.49780 29 4S -3.49934 0.11536 -2.04210 0.38743 -0.00008 30 4PX -1.61456 0.05799 -1.02658 0.44606 -0.00011 31 4PY 0.55890 -0.01191 0.20993 0.21343 -0.00009 32 4PZ 0.00002 -0.06979 -0.00395 -0.00015 -0.35011 33 5XX -0.07321 -0.02227 0.39379 -0.18425 0.00008 34 5YY -0.13180 -0.01738 0.30779 -0.26303 0.00007 35 5ZZ 0.04799 0.00790 -0.13855 0.03426 0.00001 36 5XY -0.49510 -0.02675 0.47371 -0.53474 0.00016 37 5XZ 0.00002 -0.54768 -0.03107 -0.00031 -0.47816 38 5YZ -0.00004 0.22280 0.01266 0.00011 0.19340 39 3 Cl 1S 0.00849 -0.00058 0.01023 0.00627 0.00000 40 2S 0.01184 -0.00054 0.00959 0.01023 -0.00001 41 2PX 0.03262 -0.00112 0.01984 0.00750 0.00000 42 2PY -0.00426 0.00067 -0.01178 0.00063 0.00000 43 2PZ 0.00000 -0.00459 -0.00026 0.00000 -0.00592 44 3S 0.24515 -0.01615 0.28512 0.18464 -0.00013 45 3PX -0.16304 0.00514 -0.09070 -0.03613 0.00002 46 3PY 0.02835 -0.00363 0.06417 0.00969 -0.00001 47 3PZ 0.00000 0.02131 0.00121 0.00001 0.02727 48 4S -0.70747 0.04409 -0.77795 -0.54722 0.00036 49 4PX 0.49028 -0.01602 0.28233 0.17529 -0.00009 50 4PY -0.21475 0.01861 -0.32866 -0.19569 0.00016 51 4PZ 0.00001 -0.00896 -0.00051 -0.00003 -0.09801 52 5XX -0.01506 -0.00729 0.12857 0.10145 -0.00008 53 5YY 0.07214 0.00629 -0.11126 -0.13313 0.00012 54 5ZZ -0.00831 -0.00177 0.03144 0.07166 -0.00007 55 5XY 0.52152 -0.00142 0.02516 0.03741 -0.00002 56 5XZ -0.00003 -0.01997 -0.00113 0.00001 0.02224 57 5YZ 0.00003 -0.03721 -0.00211 -0.00001 -0.00076 58 4 Cl 1S -0.00850 0.00058 -0.01022 0.00628 0.00000 59 2S -0.01184 0.00054 -0.00958 0.01024 -0.00001 60 2PX 0.03263 -0.00112 0.01983 -0.00752 0.00000 61 2PY -0.00426 0.00067 -0.01178 -0.00062 0.00000 62 2PZ 0.00000 -0.00459 -0.00026 0.00000 0.00592 63 3S -0.24520 0.01606 -0.28494 0.18492 -0.00008 64 3PX -0.16308 0.00512 -0.09068 0.03623 -0.00001 65 3PY 0.02834 -0.00362 0.06414 -0.00975 0.00000 66 3PZ 0.00000 0.02130 0.00120 0.00000 -0.02726 67 4S 0.70757 -0.04381 0.77744 -0.54798 0.00024 68 4PX 0.49039 -0.01593 0.28221 -0.17561 0.00006 69 4PY -0.21469 0.01851 -0.32844 0.19599 -0.00011 70 4PZ 0.00001 -0.00896 -0.00049 0.00002 0.09800 71 5XX 0.01522 0.00724 -0.12847 0.10155 -0.00006 72 5YY -0.07230 -0.00623 0.11114 -0.13321 0.00009 73 5ZZ 0.00830 0.00173 -0.03138 0.07169 -0.00005 74 5XY -0.52156 0.00140 -0.02514 0.03749 -0.00002 75 5XZ 0.00003 0.01997 0.00113 0.00002 0.02224 76 5YZ -0.00003 0.03722 0.00211 0.00001 -0.00076 77 5 Br 1S 0.00131 0.00013 -0.00235 0.00091 0.00000 78 2S -0.00400 -0.00080 0.01417 -0.00649 0.00000 79 3S -0.00529 0.00077 -0.01375 0.00873 0.00000 80 4S 0.02892 0.00230 -0.04078 0.01371 0.00000 81 5S 0.75223 0.02547 -0.44367 -0.78816 0.00026 82 6S -1.97358 -0.06632 1.15713 1.85961 -0.00064 83 7PX -0.00416 0.00067 -0.01189 -0.00586 0.00000 84 7PY 0.01263 0.00029 -0.00504 -0.00282 0.00000 85 7PZ 0.00000 0.00139 0.00008 0.00000 0.00274 86 8PX 0.01470 -0.00217 0.03818 0.01834 -0.00001 87 8PY -0.04085 -0.00090 0.01577 0.00850 -0.00001 88 8PZ 0.00000 -0.00457 -0.00026 0.00000 -0.00899 89 9PX -0.14806 0.00436 -0.07728 0.00700 0.00001 90 9PY 0.11646 -0.00041 0.00695 0.03336 0.00000 91 9PZ 0.00000 0.01887 0.00107 0.00002 0.03808 92 10PX 0.82012 0.01572 -0.27351 -0.49204 0.00016 93 10PY 0.10951 0.02409 -0.42203 -0.48218 0.00017 94 10PZ 0.00001 -0.00165 -0.00012 -0.00006 -0.10619 95 11XX 0.04823 0.00116 -0.02019 -0.03047 0.00001 96 11YY -0.02078 0.00038 -0.00671 -0.00883 0.00000 97 11ZZ -0.01692 -0.00250 0.04388 0.02750 -0.00001 98 11XY 0.04803 0.00322 -0.05647 -0.05978 0.00002 99 11XZ 0.00000 -0.00288 -0.00017 0.00000 -0.00209 100 11YZ 0.00000 -0.00268 -0.00015 0.00000 0.00020 101 12XX 0.01048 -0.00003 0.00086 -0.06258 0.00002 102 12YY 0.44350 0.00590 -0.10261 -0.20972 0.00007 103 12ZZ 0.46880 0.02613 -0.45774 -0.48621 0.00017 104 12XY -0.34045 -0.02372 0.41572 0.43181 -0.00016 105 12XZ -0.00001 0.01124 0.00065 0.00002 0.01544 106 12YZ 0.00000 0.01277 0.00074 0.00002 0.00216 107 6 Br 1S -0.00132 -0.00013 0.00235 0.00091 0.00000 108 2S 0.00401 0.00080 -0.01417 -0.00648 0.00000 109 3S 0.00528 -0.00078 0.01375 0.00872 0.00000 110 4S -0.02894 -0.00231 0.04077 0.01367 0.00000 111 5S -0.75207 -0.02505 0.44310 -0.78848 0.00022 112 6S 1.97326 0.06534 -1.15572 1.86046 -0.00052 113 7PX -0.00416 0.00067 -0.01188 0.00587 0.00000 114 7PY 0.01262 0.00029 -0.00505 0.00282 0.00000 115 7PZ 0.00000 0.00139 0.00008 0.00000 -0.00274 116 8PX 0.01470 -0.00216 0.03816 -0.01838 0.00001 117 8PY -0.04084 -0.00089 0.01578 -0.00851 0.00000 118 8PZ 0.00000 -0.00457 -0.00026 0.00000 0.00900 119 9PX -0.14804 0.00436 -0.07725 -0.00692 0.00000 120 9PY 0.11643 -0.00039 0.00689 -0.03339 0.00001 121 9PZ 0.00000 0.01889 0.00107 -0.00001 -0.03809 122 10PX 0.82001 0.01546 -0.27315 0.49216 -0.00013 123 10PY 0.10961 0.02383 -0.42163 0.48261 -0.00013 124 10PZ 0.00001 -0.00167 -0.00011 0.00006 0.10620 125 11XX -0.04821 -0.00114 0.02016 -0.03048 0.00001 126 11YY 0.02077 -0.00038 0.00672 -0.00885 0.00000 127 11ZZ 0.01693 0.00248 -0.04386 0.02753 -0.00001 128 11XY -0.04804 -0.00319 0.05642 -0.05983 0.00002 129 11XZ 0.00000 0.00288 0.00016 0.00000 -0.00209 130 11YZ 0.00000 0.00268 0.00015 0.00000 0.00020 131 12XX -0.01053 0.00006 -0.00085 -0.06266 0.00002 132 12YY -0.44339 -0.00579 0.10238 -0.20970 0.00006 133 12ZZ -0.46875 -0.02587 0.45737 -0.48658 0.00013 134 12XY 0.34051 0.02349 -0.41538 0.43218 -0.00012 135 12XZ 0.00002 -0.01125 -0.00065 0.00002 0.01544 136 12YZ 0.00001 -0.01277 -0.00074 0.00001 0.00216 137 7 Cl 1S 0.00000 -0.01915 -0.00107 0.02426 -0.00001 138 2S 0.00000 -0.05103 -0.00288 0.04460 -0.00002 139 2PX -0.05926 0.00252 -0.04443 0.00001 -0.01483 140 2PY 0.03840 -0.00075 0.01319 0.00000 0.00570 141 2PZ 0.00000 -0.02020 -0.00113 0.02001 0.00000 142 3S -0.00002 -0.61436 -0.03448 0.73442 -0.00029 143 3PX 0.28295 -0.01330 0.23442 -0.00005 0.12297 144 3PY -0.18327 0.00434 -0.07632 0.00001 -0.04788 145 3PZ 0.00000 0.15862 0.00890 -0.15051 0.00003 146 4S 0.00007 1.42196 0.07979 -1.85601 0.00082 147 4PX -0.91046 0.04938 -0.87272 0.00019 -0.70696 148 4PY 0.48791 -0.02330 0.41078 -0.00007 0.27899 149 4PZ 0.00004 -0.79665 -0.04474 0.90423 -0.00036 150 5XX -0.00003 0.15428 0.00882 0.12287 0.00001 151 5YY 0.00007 -0.54634 -0.03080 0.38890 -0.00019 152 5ZZ -0.00004 0.23275 0.01302 -0.36268 0.00012 153 5XY -0.00001 -0.38110 -0.02146 0.25447 -0.00008 154 5XZ 0.08257 -0.02850 0.50366 -0.00004 0.64710 155 5YZ -0.15243 0.01238 -0.21754 -0.00004 -0.25637 156 8 Cl 1S 0.00000 0.01914 0.00110 0.02427 -0.00001 157 2S 0.00000 0.05101 0.00292 0.04462 -0.00002 158 2PX -0.05926 0.00252 -0.04443 0.00003 0.01483 159 2PY 0.03840 -0.00075 0.01319 -0.00001 -0.00570 160 2PZ 0.00000 -0.02018 -0.00115 -0.02002 0.00000 161 3S 0.00006 0.61397 0.03516 0.73471 -0.00024 162 3PX 0.28295 -0.01329 0.23441 -0.00018 -0.12298 163 3PY -0.18327 0.00432 -0.07632 0.00005 0.04789 164 3PZ 0.00001 0.15853 0.00903 0.15058 -0.00002 165 4S -0.00014 -1.42100 -0.08154 -1.85672 0.00067 166 4PX -0.91047 0.04935 -0.87266 0.00069 0.70706 167 4PY 0.48791 -0.02319 0.41076 -0.00025 -0.27904 168 4PZ -0.00001 -0.79618 -0.04555 -0.90462 0.00028 169 5XX 0.00002 -0.15436 -0.00868 0.12279 -0.00005 170 5YY -0.00003 0.54614 0.03110 0.38916 -0.00009 171 5ZZ 0.00001 -0.23254 -0.01332 -0.36279 0.00009 172 5XY -0.00002 0.38097 0.02171 0.25465 -0.00011 173 5XZ -0.08257 0.02849 -0.50359 0.00045 0.64716 174 5YZ 0.15244 -0.01225 0.21751 -0.00015 -0.25640 161 162 163 164 165 V V V V V Eigenvalues -- 1.25948 1.26503 1.67591 1.72990 2.04453 1 1 Al 1S -0.01111 -0.01169 -0.00013 0.00149 0.09833 2 2S 0.02970 0.02035 0.00328 -0.00817 -0.40705 3 2PX 0.03460 0.02037 -0.02420 -0.00930 0.01070 4 2PY -0.11240 -0.10767 -0.01116 -0.01540 -0.00549 5 2PZ 0.00001 0.00001 0.00000 0.00000 0.00000 6 3S -0.45682 -0.46623 -0.04801 -0.02315 5.41289 7 3PX -0.27437 -0.09579 0.02116 -0.10427 -0.09802 8 3PY 0.86153 0.80366 -0.02249 0.00022 0.01612 9 3PZ -0.00008 -0.00007 0.00001 0.00000 0.00001 10 4S -0.16759 -0.23791 -1.15106 -0.94261 -0.62832 11 4PX 0.02432 0.02605 -0.22715 -0.52030 0.03673 12 4PY 0.38585 0.21345 -0.44379 -0.93057 0.00402 13 4PZ -0.00003 -0.00002 -0.00003 -0.00003 0.00000 14 5XX 0.40663 0.34691 0.05322 0.06385 -2.21090 15 5YY -0.44538 -0.50609 0.05855 0.02469 -2.29099 16 5ZZ 0.34719 0.32794 0.01072 0.00020 -2.21480 17 5XY 0.04711 0.09254 0.08801 0.05560 -0.04627 18 5XZ 0.00005 0.00004 0.00000 0.00000 -0.00002 19 5YZ 0.00001 0.00001 0.00001 0.00001 0.00001 20 2 Al 1S -0.01111 0.01169 0.00013 0.00149 -0.09830 21 2S 0.02971 -0.02034 -0.00328 -0.00817 0.40693 22 2PX -0.03461 0.02038 -0.02419 0.00930 0.01070 23 2PY 0.11240 -0.10767 -0.01116 0.01540 -0.00549 24 2PZ -0.00001 0.00001 0.00000 0.00000 0.00000 25 3S -0.45678 0.46624 0.04796 -0.02314 -5.41124 26 3PX 0.27449 -0.09586 0.02113 0.10427 -0.09802 27 3PY -0.86150 0.80364 -0.02245 -0.00018 0.01612 28 3PZ 0.00007 -0.00005 0.00001 0.00000 0.00001 29 4S -0.16782 0.23782 1.15113 -0.94275 0.62811 30 4PX -0.02437 0.02597 -0.22696 0.52020 0.03670 31 4PY -0.38578 0.21351 -0.44373 0.93074 0.00403 32 4PZ 0.00003 -0.00001 -0.00003 0.00004 0.00000 33 5XX 0.40661 -0.34689 -0.05321 0.06383 2.21019 34 5YY -0.44539 0.50607 -0.05854 0.02473 2.29028 35 5ZZ 0.34718 -0.32795 -0.01070 0.00022 2.21413 36 5XY 0.04721 -0.09266 -0.08801 0.05560 0.04626 37 5XZ 0.00004 -0.00003 0.00000 0.00000 0.00002 38 5YZ 0.00001 -0.00002 -0.00001 0.00001 -0.00001 39 3 Cl 1S -0.01290 -0.01018 0.00037 0.00410 0.00236 40 2S -0.04564 -0.04695 -0.00504 -0.00262 -0.02731 41 2PX 0.00096 -0.00109 0.01073 0.00236 0.00284 42 2PY -0.02011 -0.02638 -0.00021 -0.00039 -0.02524 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 44 3S -0.45538 -0.38721 -0.00066 0.11067 -0.00100 45 3PX 0.00196 0.01109 -0.05275 -0.01658 -0.01108 46 3PY 0.03226 0.05983 -0.00224 -0.00147 0.09500 47 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 48 4S 1.37753 1.23358 0.08152 -0.26109 0.06323 49 4PX -0.08166 -0.10726 0.14066 0.11484 0.00558 50 4PY 0.75219 0.70569 0.08005 0.05347 -0.00551 51 4PZ -0.00002 -0.00002 0.00001 0.00002 0.00000 52 5XX -0.36496 -0.35880 -0.03146 -0.02439 -0.08596 53 5YY 0.63846 0.64358 0.01021 0.02365 0.13366 54 5ZZ -0.36213 -0.37076 0.00871 -0.01619 -0.08527 55 5XY -0.11894 -0.12718 0.03188 0.03288 -0.02593 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ -0.00004 -0.00004 0.00000 0.00000 -0.00001 58 4 Cl 1S -0.01290 0.01018 -0.00037 0.00410 -0.00236 59 2S -0.04564 0.04695 0.00504 -0.00262 0.02731 60 2PX -0.00096 -0.00108 0.01073 -0.00237 0.00284 61 2PY 0.02011 -0.02638 -0.00021 0.00039 -0.02523 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S -0.45539 0.38719 0.00074 0.11073 0.00098 64 3PX -0.00196 0.01107 -0.05272 0.01660 -0.01110 65 3PY -0.03225 0.05984 -0.00225 0.00147 0.09497 66 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 67 4S 1.37756 -1.23356 -0.08169 -0.26122 -0.06319 68 4PX 0.08178 -0.10730 0.14058 -0.11488 0.00559 69 4PY -0.75219 0.70566 0.08012 -0.05345 -0.00551 70 4PZ 0.00002 -0.00002 0.00001 -0.00002 0.00000 71 5XX -0.36493 0.35877 0.03147 -0.02440 0.08593 72 5YY 0.63844 -0.64355 -0.01023 0.02364 -0.13361 73 5ZZ -0.36214 0.37075 -0.00870 -0.01618 0.08525 74 5XY -0.11908 0.12731 -0.03186 0.03288 0.02595 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ -0.00004 0.00004 0.00000 0.00000 0.00001 77 5 Br 1S 0.00090 -0.00036 -0.04520 -0.04487 -0.00072 78 2S -0.00444 0.00176 0.22368 0.22293 0.00954 79 3S 0.00183 -0.00083 -0.09151 -0.09153 -0.02251 80 4S 0.01809 -0.00650 -0.95389 -0.95963 -0.00153 81 5S 0.13290 0.12757 -1.09861 -1.46527 -0.08156 82 6S -0.43085 -0.29724 6.34662 7.28247 0.05450 83 7PX 0.00141 -0.00066 0.01289 0.01442 -0.00713 84 7PY 0.00338 0.00372 0.00745 0.00844 -0.00513 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX -0.00451 0.00223 -0.04278 -0.04797 0.02356 87 8PY -0.01096 -0.01202 -0.02475 -0.02809 0.01694 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00711 -0.01740 0.19203 0.22499 -0.05180 90 9PY 0.03359 0.03399 0.11143 0.13004 -0.03366 91 9PZ -0.00001 0.00000 0.00000 0.00000 0.00000 92 10PX 0.10254 0.12389 -0.43167 -0.56278 -0.01289 93 10PY -0.01823 0.00791 -0.24902 -0.31750 -0.02423 94 10PZ 0.00002 0.00001 0.00000 -0.00001 0.00000 95 11XX -0.00140 -0.00062 0.02023 0.01888 0.00706 96 11YY 0.00027 0.00399 0.02519 0.02976 0.00982 97 11ZZ -0.00032 -0.00302 0.02824 0.02881 0.01433 98 11XY 0.00797 0.00948 -0.00451 -0.00852 -0.00742 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.06601 0.02713 -2.10566 -2.24948 0.07153 102 12YY 0.07073 0.00876 -2.13419 -2.31588 0.02622 103 12ZZ 0.08094 0.05933 -2.14400 -2.30735 -0.05028 104 12XY -0.05723 -0.06979 0.01710 0.04593 0.11652 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00090 0.00037 0.04519 -0.04487 0.00072 108 2S -0.00445 -0.00177 -0.22367 0.22294 -0.00953 109 3S 0.00184 0.00083 0.09151 -0.09154 0.02251 110 4S 0.01811 0.00652 0.95385 -0.95967 0.00153 111 5S 0.13281 -0.12763 1.09854 -1.46535 0.08152 112 6S -0.43071 0.29733 -6.34630 7.28282 -0.05446 113 7PX -0.00141 -0.00066 0.01289 -0.01441 -0.00713 114 7PY -0.00338 0.00372 0.00745 -0.00845 -0.00513 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00451 0.00224 -0.04278 0.04797 0.02355 117 8PY 0.01095 -0.01202 -0.02475 0.02810 0.01693 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX -0.00713 -0.01742 0.19203 -0.22498 -0.05179 120 9PY -0.03358 0.03399 0.11144 -0.13007 -0.03365 121 9PZ 0.00001 0.00000 0.00000 -0.00001 0.00000 122 10PX -0.10247 0.12395 -0.43164 0.56277 -0.01286 123 10PY 0.01821 0.00792 -0.24904 0.31758 -0.02423 124 10PZ -0.00002 0.00001 -0.00001 0.00001 0.00000 125 11XX -0.00141 0.00062 -0.02022 0.01888 -0.00706 126 11YY 0.00027 -0.00399 -0.02519 0.02976 -0.00981 127 11ZZ -0.00032 0.00302 -0.02823 0.02881 -0.01433 128 11XY 0.00797 -0.00948 0.00451 -0.00852 0.00742 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.06604 -0.02712 2.10556 -2.24959 -0.07147 132 12YY 0.07070 -0.00875 2.13410 -2.31597 -0.02624 133 12ZZ 0.08093 -0.05933 2.14391 -2.30745 0.05027 134 12XY -0.05722 0.06979 -0.01710 0.04594 -0.11650 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00513 0.00000 0.00000 -0.00184 0.00000 138 2S 0.02524 -0.00001 0.00000 -0.01230 0.00000 139 2PX 0.00000 0.00742 0.00636 0.00000 -0.01364 140 2PY 0.00000 -0.00162 0.00282 0.00000 0.00450 141 2PZ -0.00272 0.00000 0.00000 0.01248 0.00000 142 3S 0.19326 -0.00003 0.00001 -0.07884 -0.00001 143 3PX 0.00001 -0.01429 -0.03876 0.00000 0.01539 144 3PY -0.00001 0.00234 -0.01432 0.00001 -0.00181 145 3PZ -0.02199 -0.00001 0.00001 -0.05556 0.00002 146 4S -0.52495 0.00013 -0.00006 0.40484 0.00004 147 4PX 0.00003 -0.12497 0.29399 0.00000 -0.00615 148 4PY 0.00000 -0.03727 0.05661 -0.00006 -0.00657 149 4PZ 0.32299 -0.00004 0.00001 0.00832 -0.00001 150 5XX -0.02382 0.00002 0.00000 0.03374 -0.00002 151 5YY 0.21088 -0.00003 0.00000 -0.04477 -0.00001 152 5ZZ -0.12240 0.00001 0.00000 -0.01172 0.00000 153 5XY 0.06180 -0.00001 0.00000 0.02628 -0.00001 154 5XZ -0.00006 0.19898 -0.04610 0.00000 -0.15925 155 5YZ 0.00001 -0.06777 -0.01344 0.00001 0.06274 156 8 Cl 1S 0.00513 0.00000 0.00000 -0.00184 0.00000 157 2S 0.02525 0.00000 0.00000 -0.01230 -0.00001 158 2PX 0.00000 0.00742 0.00636 0.00000 -0.01365 159 2PY 0.00000 -0.00162 0.00282 0.00000 0.00450 160 2PZ 0.00272 0.00000 0.00000 -0.01248 -0.00001 161 3S 0.19326 0.00000 0.00002 -0.07884 -0.00002 162 3PX 0.00001 -0.01429 -0.03876 0.00000 0.01539 163 3PY 0.00000 0.00234 -0.01432 -0.00001 -0.00181 164 3PZ 0.02198 -0.00001 0.00000 0.05557 0.00002 165 4S -0.52497 -0.00001 -0.00005 0.40484 0.00007 166 4PX -0.00010 -0.12499 0.29399 -0.00001 -0.00615 167 4PY 0.00003 -0.03727 0.05661 0.00000 -0.00657 168 4PZ -0.32300 -0.00002 0.00000 -0.00833 0.00002 169 5XX -0.02383 -0.00001 0.00000 0.03374 0.00000 170 5YY 0.21088 0.00002 -0.00001 -0.04477 -0.00003 171 5ZZ -0.12240 -0.00001 0.00001 -0.01172 0.00001 172 5XY 0.06181 0.00004 0.00000 0.02628 -0.00002 173 5XZ -0.00005 -0.19899 0.04610 0.00000 0.15926 174 5YZ 0.00005 0.06778 0.01344 0.00000 -0.06274 166 167 168 169 170 V V V V V Eigenvalues -- 2.05008 4.20693 4.24358 4.26281 4.28556 1 1 Al 1S 0.09710 0.00000 -0.00317 0.00265 -0.00437 2 2S -0.40180 0.00000 0.01671 -0.02252 0.02052 3 2PX -0.00260 0.00000 -0.00922 0.00261 -0.00428 4 2PY 0.00075 0.00000 0.00047 -0.00745 0.00780 5 2PZ 0.00000 -0.00263 0.00000 0.00000 0.00000 6 3S 5.45478 -0.00006 -0.06889 0.13540 -0.22265 7 3PX 0.01473 0.00001 0.13428 0.00132 0.05375 8 3PY -0.04052 0.00000 -0.08447 -0.05691 0.02828 9 3PZ 0.00001 0.09329 0.00000 0.00000 0.00000 10 4S -0.71603 -0.00010 -0.26961 0.59348 -0.40545 11 4PX 0.05599 0.00006 0.09780 -0.18102 0.18170 12 4PY -0.01114 -0.00003 -0.22983 -0.08521 0.23230 13 4PZ 0.00000 0.12105 0.00000 0.00001 -0.00001 14 5XX -2.32495 0.00002 -0.01809 -0.05343 0.04874 15 5YY -2.34762 0.00002 0.01259 -0.06850 0.06995 16 5ZZ -2.22145 0.00003 -0.00998 -0.06656 0.05714 17 5XY -0.01536 0.00000 0.01581 -0.00291 0.01192 18 5XZ -0.00001 -0.04269 0.00001 0.00000 0.00000 19 5YZ 0.00001 0.01848 0.00000 0.00000 0.00000 20 2 Al 1S 0.09713 0.00000 -0.00317 -0.00265 -0.00437 21 2S -0.40192 0.00000 0.01672 0.02252 0.02052 22 2PX 0.00260 0.00000 0.00922 0.00261 0.00428 23 2PY -0.00075 0.00000 -0.00047 -0.00745 -0.00780 24 2PZ 0.00000 -0.00263 0.00000 0.00000 0.00000 25 3S 5.45642 0.00003 -0.06892 -0.13542 -0.22267 26 3PX -0.01471 -0.00001 -0.13429 0.00133 -0.05374 27 3PY 0.04051 0.00000 0.08445 -0.05692 -0.02828 28 3PZ 0.00000 0.09329 -0.00001 0.00000 0.00000 29 4S -0.71622 0.00007 -0.26972 -0.59342 -0.40541 30 4PX -0.05600 0.00005 -0.09787 -0.18100 -0.18164 31 4PY 0.01115 -0.00002 0.22982 -0.08530 -0.23229 32 4PZ 0.00000 0.12105 -0.00001 0.00001 0.00001 33 5XX -2.32561 -0.00002 -0.01808 0.05344 0.04874 34 5YY -2.34831 -0.00001 0.01261 0.06850 0.06996 35 5ZZ -2.22212 -0.00002 -0.00997 0.06657 0.05714 36 5XY -0.01536 0.00000 0.01580 0.00291 0.01191 37 5XZ -0.00001 0.04269 0.00000 0.00000 0.00000 38 5YZ 0.00000 -0.01847 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00150 0.00000 -0.05666 -0.11877 0.10372 40 2S -0.02928 0.00001 0.27390 0.58448 -0.51891 41 2PX 0.00180 0.00000 -0.00103 0.00307 -0.00310 42 2PY -0.02741 0.00000 -0.00404 -0.00628 0.00509 43 2PZ 0.00000 -0.00080 0.00000 0.00000 0.00000 44 3S -0.03162 -0.00004 -1.82350 -3.81408 3.33149 45 3PX -0.00367 0.00000 0.00693 -0.01630 0.01786 46 3PY 0.10139 0.00000 0.01963 0.03670 -0.03219 47 3PZ 0.00000 0.00551 0.00000 0.00000 0.00000 48 4S 0.12429 0.00001 -0.15238 -0.46366 0.52205 49 4PX -0.03170 -0.00002 -0.03852 0.06021 -0.07686 50 4PY 0.00727 0.00000 -0.05090 -0.16380 0.16252 51 4PZ 0.00000 -0.03482 0.00000 0.00000 0.00000 52 5XX -0.08178 0.00002 0.83654 1.76566 -1.56191 53 5YY 0.13952 0.00002 0.82205 1.74561 -1.54392 54 5ZZ -0.09401 0.00002 0.83178 1.76556 -1.56315 55 5XY -0.03725 0.00000 -0.00748 0.00550 -0.01058 56 5XZ 0.00000 -0.00072 0.00000 0.00000 0.00000 57 5YZ -0.00001 -0.00639 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00150 0.00000 -0.05664 0.11878 0.10372 59 2S -0.02929 0.00000 0.27382 -0.58454 -0.51888 60 2PX -0.00181 0.00000 0.00102 0.00307 0.00310 61 2PY 0.02741 0.00000 0.00404 -0.00628 -0.00509 62 2PZ 0.00000 -0.00080 0.00000 0.00000 0.00000 63 3S -0.03162 0.00000 -1.82297 3.81451 3.33130 64 3PX 0.00368 0.00000 -0.00693 -0.01631 -0.01786 65 3PY -0.10141 0.00000 -0.01963 0.03670 0.03219 66 3PZ 0.00000 0.00551 0.00000 0.00000 0.00000 67 4S 0.12429 -0.00001 -0.15233 0.46372 0.52201 68 4PX 0.03170 -0.00001 0.03852 0.06022 0.07687 69 4PY -0.00727 0.00000 0.05088 -0.16380 -0.16250 70 4PZ 0.00000 -0.03483 0.00000 0.00000 0.00000 71 5XX -0.08180 0.00000 0.83629 -1.76586 -1.56181 72 5YY 0.13955 0.00000 0.82180 -1.74581 -1.54384 73 5ZZ -0.09403 0.00000 0.83153 -1.76576 -1.56306 74 5XY -0.03729 0.00000 -0.00748 -0.00550 -0.01058 75 5XZ 0.00000 0.00072 0.00000 0.00000 0.00000 76 5YZ -0.00001 0.00639 0.00000 0.00000 0.00000 77 5 Br 1S -0.00074 0.00000 -0.00048 -0.00008 0.00057 78 2S 0.00889 0.00000 0.00566 0.00215 -0.00800 79 3S -0.02010 0.00000 -0.01125 -0.00585 0.01812 80 4S -0.00311 0.00000 -0.01161 -0.00049 0.01001 81 5S -0.16152 -0.00001 -0.15306 0.05262 0.02769 82 6S 0.24467 0.00002 0.41379 -0.14085 -0.09886 83 7PX -0.00671 0.00000 0.00100 -0.00009 0.00017 84 7PY -0.00599 0.00000 -0.00087 -0.00086 0.00001 85 7PZ 0.00000 0.00044 0.00000 0.00000 0.00000 86 8PX 0.02202 0.00000 -0.00347 0.00033 -0.00061 87 8PY 0.01977 0.00000 0.00290 0.00292 -0.00008 88 8PZ 0.00000 -0.00152 0.00000 0.00000 0.00000 89 9PX -0.03690 0.00000 0.02396 -0.00302 0.00472 90 9PY -0.04330 0.00000 -0.01408 -0.01621 0.00310 91 9PZ 0.00000 0.00985 0.00000 0.00000 0.00000 92 10PX -0.07268 -0.00002 -0.10135 0.02784 -0.01791 93 10PY -0.01369 0.00001 0.03171 0.05147 -0.01951 94 10PZ 0.00000 -0.03920 0.00000 0.00000 0.00001 95 11XX 0.00227 0.00000 0.00217 0.00151 -0.00902 96 11YY 0.00987 0.00000 0.00877 0.00397 -0.00997 97 11ZZ 0.01532 0.00000 0.00631 0.00354 -0.00789 98 11XY -0.00739 0.00000 0.00069 0.00196 -0.00089 99 11XZ 0.00000 -0.00043 0.00000 0.00000 0.00000 100 11YZ 0.00000 -0.00172 0.00000 0.00000 0.00000 101 12XX 0.06058 0.00000 -0.05090 0.03222 0.02349 102 12YY -0.01812 -0.00001 -0.10045 0.01529 0.02968 103 12ZZ -0.10071 0.00000 -0.08117 0.01934 0.01704 104 12XY 0.11925 0.00000 -0.00461 -0.01179 0.00496 105 12XZ 0.00001 0.00561 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.01155 0.00000 0.00000 0.00000 107 6 Br 1S -0.00074 0.00000 -0.00048 0.00008 0.00057 108 2S 0.00890 0.00000 0.00566 -0.00215 -0.00800 109 3S -0.02011 0.00000 -0.01125 0.00586 0.01811 110 4S -0.00311 0.00000 -0.01161 0.00050 0.01000 111 5S -0.16154 0.00000 -0.15307 -0.05254 0.02764 112 6S 0.24468 0.00000 0.41380 0.14066 -0.09873 113 7PX 0.00671 0.00000 -0.00100 -0.00009 -0.00017 114 7PY 0.00600 0.00000 0.00087 -0.00086 -0.00001 115 7PZ 0.00000 0.00044 0.00000 0.00000 0.00000 116 8PX -0.02203 0.00000 0.00347 0.00033 0.00061 117 8PY -0.01977 0.00000 -0.00290 0.00292 0.00008 118 8PZ 0.00000 -0.00152 0.00000 0.00000 0.00000 119 9PX 0.03692 0.00000 -0.02396 -0.00301 -0.00472 120 9PY 0.04332 0.00000 0.01408 -0.01621 -0.00310 121 9PZ 0.00000 0.00985 0.00000 0.00000 0.00000 122 10PX 0.07268 -0.00001 0.10136 0.02779 0.01793 123 10PY 0.01370 0.00000 -0.03170 0.05148 0.01951 124 10PZ 0.00000 -0.03920 0.00001 0.00000 -0.00001 125 11XX 0.00228 0.00000 0.00217 -0.00151 -0.00902 126 11YY 0.00987 0.00000 0.00877 -0.00398 -0.00997 127 11ZZ 0.01532 0.00000 0.00631 -0.00354 -0.00789 128 11XY -0.00739 0.00000 0.00069 -0.00196 -0.00089 129 11XZ 0.00000 0.00043 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00172 0.00000 0.00000 0.00000 131 12XX 0.06058 0.00000 -0.05090 -0.03219 0.02346 132 12YY -0.01808 0.00000 -0.10045 -0.01524 0.02965 133 12ZZ -0.10072 0.00000 -0.08116 -0.01930 0.01701 134 12XY 0.11929 0.00000 -0.00461 0.01179 0.00496 135 12XZ 0.00001 -0.00561 0.00000 0.00000 0.00000 136 12YZ 0.00000 -0.01155 0.00000 0.00000 0.00000 137 7 Cl 1S -0.00018 -0.11894 0.10291 -0.00001 0.05488 138 2S -0.04788 0.58569 -0.52616 0.00003 -0.29061 139 2PX 0.00001 0.00000 0.00000 -0.00332 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00310 0.00000 141 2PZ 0.01623 0.00543 -0.00614 0.00000 -0.00067 142 3S -0.09709 -3.81625 3.29668 -0.00016 1.75308 143 3PX -0.00002 0.00000 0.00000 0.01904 0.00000 144 3PY 0.00001 0.00000 0.00000 -0.01967 0.00000 145 3PZ -0.01233 -0.03489 0.04224 0.00000 0.01145 146 4S 0.32809 -0.40124 0.64962 -0.00004 0.51703 147 4PX 0.00000 0.00003 -0.00002 -0.11135 0.00000 148 4PY -0.00001 0.00000 0.00000 0.11221 -0.00001 149 4PZ -0.09529 0.12845 -0.24100 0.00001 -0.14625 150 5XX -0.02766 1.75013 -1.56030 0.00008 -0.85974 151 5YY -0.15293 1.77925 -1.58773 0.00008 -0.85624 152 5ZZ 0.03084 1.75160 -1.54490 0.00008 -0.84584 153 5XY -0.06646 0.01554 -0.00304 0.00000 -0.01645 154 5XZ 0.00005 0.00000 0.00000 0.00398 0.00000 155 5YZ 0.00000 0.00000 0.00000 -0.01168 0.00000 156 8 Cl 1S -0.00017 0.11895 0.10290 -0.00001 0.05488 157 2S -0.04788 -0.58574 -0.52612 0.00003 -0.29060 158 2PX 0.00000 0.00000 0.00000 -0.00332 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00310 0.00000 160 2PZ -0.01623 0.00543 0.00613 0.00000 0.00067 161 3S -0.09709 3.81653 3.29641 -0.00020 1.75298 162 3PX 0.00002 0.00000 0.00000 0.01904 0.00000 163 3PY -0.00001 0.00000 0.00000 -0.01967 0.00000 164 3PZ 0.01234 -0.03489 -0.04224 0.00000 -0.01145 165 4S 0.32810 0.40131 0.64960 -0.00006 0.51702 166 4PX 0.00000 0.00002 0.00000 -0.11135 -0.00001 167 4PY -0.00001 -0.00002 0.00000 0.11221 -0.00002 168 4PZ 0.09529 0.12847 0.24099 -0.00002 0.14624 169 5XX -0.02766 -1.75026 -1.56017 0.00010 -0.85969 170 5YY -0.15293 -1.77939 -1.58760 0.00010 -0.85619 171 5ZZ 0.03084 -1.75173 -1.54477 0.00010 -0.84579 172 5XY -0.06646 -0.01554 -0.00304 0.00000 -0.01645 173 5XZ -0.00001 0.00000 0.00000 -0.00398 0.00000 174 5YZ -0.00001 0.00000 0.00000 0.01168 0.00000 171 172 173 174 V V V V Eigenvalues -- 8.73597 8.79116 75.73858 76.80190 1 1 Al 1S 0.00079 0.00138 -0.00091 0.00175 2 2S -0.00186 -0.00603 0.00197 -0.00733 3 2PX -0.00457 -0.00110 0.00299 0.00190 4 2PY -0.00157 -0.00340 -0.00040 -0.00224 5 2PZ 0.00000 0.00000 0.00000 0.00000 6 3S 0.04982 0.05849 -0.08506 0.10002 7 3PX 0.00925 -0.02278 -0.01147 -0.03457 8 3PY -0.00225 0.00782 0.00429 0.01220 9 3PZ 0.00000 0.00000 0.00000 0.00000 10 4S -0.46956 -0.39825 0.67786 -0.59553 11 4PX -0.10989 -0.23501 0.17748 -0.35491 12 4PY -0.18354 -0.38880 0.26919 -0.57437 13 4PZ -0.00001 -0.00001 0.00002 -0.00002 14 5XX -0.00261 -0.00211 0.01179 -0.01061 15 5YY -0.00183 -0.00657 0.00873 -0.01437 16 5ZZ -0.01197 -0.01680 0.01972 -0.02562 17 5XY 0.02176 0.01474 -0.02527 0.01555 18 5XZ 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S -0.00079 0.00138 0.00091 0.00175 21 2S 0.00186 -0.00603 -0.00196 -0.00733 22 2PX -0.00456 0.00110 0.00299 -0.00190 23 2PY -0.00158 0.00340 -0.00040 0.00224 24 2PZ 0.00000 0.00000 0.00000 0.00000 25 3S -0.04983 0.05852 0.08508 0.10005 26 3PX 0.00924 0.02278 -0.01145 0.03457 27 3PY -0.00224 -0.00781 0.00428 -0.01219 28 3PZ 0.00000 0.00000 0.00000 0.00000 29 4S 0.46959 -0.39833 -0.67791 -0.59562 30 4PX -0.10983 0.23495 0.17740 0.35481 31 4PY -0.18353 0.38886 0.26920 0.57446 32 4PZ -0.00001 0.00001 0.00002 0.00002 33 5XX 0.00261 -0.00212 -0.01178 -0.01062 34 5YY 0.00183 -0.00657 -0.00873 -0.01436 35 5ZZ 0.01197 -0.01680 -0.01973 -0.02562 36 5XY -0.02176 0.01474 0.02527 0.01555 37 5XZ 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S -0.00014 -0.00024 0.00011 0.00032 40 2S -0.00070 0.00751 0.00115 0.00757 41 2PX 0.00343 0.00142 -0.00490 0.00218 42 2PY 0.00001 0.00012 -0.00010 0.00035 43 2PZ 0.00000 0.00000 0.00000 0.00000 44 3S -0.00863 -0.01145 0.00902 0.00657 45 3PX -0.01774 -0.00865 0.02574 -0.01306 46 3PY -0.00089 -0.00113 0.00142 -0.00229 47 3PZ 0.00000 0.00000 0.00000 0.00000 48 4S 0.03085 -0.10864 -0.04063 -0.15657 49 4PX 0.05282 0.05000 -0.07857 0.07416 50 4PY 0.03132 0.01744 -0.04388 0.02597 51 4PZ 0.00000 0.00001 -0.00001 0.00001 52 5XX -0.00274 0.01806 0.00388 0.01585 53 5YY 0.00518 0.02604 -0.00592 0.02596 54 5ZZ 0.00346 0.01897 -0.00370 0.01688 55 5XY 0.00433 0.00541 -0.00510 0.00648 56 5XZ 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00014 -0.00024 -0.00011 0.00032 59 2S 0.00070 0.00751 -0.00116 0.00757 60 2PX 0.00343 -0.00143 -0.00490 -0.00218 61 2PY 0.00001 -0.00012 -0.00010 -0.00035 62 2PZ 0.00000 0.00000 0.00000 0.00000 63 3S 0.00862 -0.01145 -0.00903 0.00658 64 3PX -0.01773 0.00865 0.02573 0.01307 65 3PY -0.00089 0.00113 0.00142 0.00229 66 3PZ 0.00000 0.00000 0.00000 0.00000 67 4S -0.03090 -0.10867 0.04069 -0.15662 68 4PX 0.05280 -0.05001 -0.07854 -0.07417 69 4PY 0.03134 -0.01744 -0.04391 -0.02597 70 4PZ 0.00000 -0.00001 -0.00001 -0.00001 71 5XX 0.00275 0.01807 -0.00389 0.01586 72 5YY -0.00517 0.02605 0.00591 0.02596 73 5ZZ -0.00345 0.01898 0.00369 0.01688 74 5XY -0.00433 0.00541 0.00509 0.00648 75 5XZ 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.08196 0.08250 0.67267 -0.67705 78 2S -1.29631 -1.29638 2.40657 -2.43678 79 3S 3.96706 3.97467 -7.38670 7.48728 80 4S -1.49374 -1.53026 -14.09889 14.16402 81 5S 1.34696 1.20934 -5.54617 5.40915 82 6S 3.17423 3.59009 -5.17784 5.82177 83 7PX 0.00367 0.00414 -0.00467 0.00530 84 7PY 0.00218 0.00256 -0.00279 0.00330 85 7PZ 0.00000 0.00000 0.00000 0.00000 86 8PX -0.01238 -0.01397 0.01642 -0.01868 87 8PY -0.00735 -0.00865 0.00980 -0.01162 88 8PZ 0.00000 0.00000 0.00000 0.00000 89 9PX 0.06068 0.07088 -0.08422 0.09891 90 9PY 0.03581 0.04290 -0.05026 0.06046 91 9PZ 0.00000 0.00000 0.00000 0.00000 92 10PX -0.15893 -0.20194 0.23145 -0.29465 93 10PY -0.09348 -0.11762 0.13903 -0.17436 94 10PZ 0.00000 0.00000 0.00000 -0.00001 95 11XX -1.39577 -1.38964 10.90528 -11.00074 96 11YY -1.39454 -1.38731 10.90361 -10.99763 97 11ZZ -1.39422 -1.38818 10.90304 -10.99870 98 11XY -0.00057 -0.00137 0.00090 -0.00197 99 11XZ 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 101 12XX -1.34132 -1.42454 2.49968 -2.64291 102 12YY -1.35009 -1.44112 2.51215 -2.66579 103 12ZZ -1.35121 -1.43555 2.51512 -2.65920 104 12XY 0.00309 0.00911 -0.00584 0.01401 105 12XZ 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S -0.08195 0.08251 -0.67268 -0.67704 108 2S 1.29628 -1.29641 -2.40660 -2.43675 109 3S -3.96698 3.97475 7.38679 7.48719 110 4S 1.49371 -1.53029 14.09906 14.16384 111 5S -1.34694 1.20935 5.54624 5.40907 112 6S -3.17414 3.59019 5.17789 5.82175 113 7PX 0.00367 -0.00414 -0.00467 -0.00530 114 7PY 0.00218 -0.00257 -0.00279 -0.00330 115 7PZ 0.00000 0.00000 0.00000 0.00000 116 8PX -0.01238 0.01397 0.01642 0.01868 117 8PY -0.00736 0.00865 0.00980 0.01163 118 8PZ 0.00000 0.00000 0.00000 0.00000 119 9PX 0.06067 -0.07088 -0.08422 -0.09890 120 9PY 0.03582 -0.04291 -0.05027 -0.06047 121 9PZ 0.00000 0.00000 0.00000 0.00000 122 10PX -0.15892 0.20193 0.23145 0.29464 123 10PY -0.09349 0.11764 0.13905 0.17439 124 10PZ 0.00000 0.00000 0.00000 0.00001 125 11XX 1.39574 -1.38967 -10.90542 -11.00060 126 11YY 1.39451 -1.38734 -10.90375 -10.99749 127 11ZZ 1.39419 -1.38821 -10.90318 -10.99856 128 11XY 0.00057 -0.00137 -0.00090 -0.00197 129 11XZ 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 131 12XX 1.34128 -1.42457 -2.49971 -2.64288 132 12YY 1.35006 -1.44115 -2.51218 -2.66576 133 12ZZ 1.35118 -1.43558 -2.51515 -2.65917 134 12XY -0.00309 0.00912 0.00584 0.01401 135 12XZ 0.00000 0.00000 0.00000 0.00000 136 12YZ 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 -0.00038 0.00000 -0.00070 138 2S 0.00000 -0.00610 0.00000 -0.00753 139 2PX 0.00247 0.00000 -0.00357 0.00000 140 2PY 0.00133 0.00000 -0.00198 0.00000 141 2PZ 0.00000 0.00335 0.00000 0.00441 142 3S 0.00000 -0.01974 0.00000 -0.03284 143 3PX -0.01444 0.00000 0.02047 0.00000 144 3PY -0.00679 0.00000 0.01018 0.00001 145 3PZ 0.00000 -0.01581 0.00000 -0.02166 146 4S -0.00002 0.15298 0.00003 0.21597 147 4PX 0.10763 0.00000 -0.15080 0.00000 148 4PY 0.02768 -0.00002 -0.04296 -0.00003 149 4PZ 0.00000 -0.00184 0.00000 -0.00071 150 5XX 0.00000 0.00081 0.00000 0.00257 151 5YY 0.00000 -0.01512 0.00000 -0.01713 152 5ZZ 0.00000 -0.00720 0.00000 -0.00742 153 5XY 0.00000 0.00488 0.00000 0.00626 154 5XZ -0.00736 0.00000 0.00861 0.00000 155 5YZ -0.00234 0.00000 0.00294 0.00000 156 8 Cl 1S 0.00000 -0.00038 0.00000 -0.00070 157 2S 0.00000 -0.00610 0.00000 -0.00753 158 2PX 0.00247 0.00000 -0.00357 0.00000 159 2PY 0.00133 0.00000 -0.00198 0.00000 160 2PZ 0.00000 -0.00335 0.00000 -0.00441 161 3S 0.00000 -0.01974 0.00000 -0.03284 162 3PX -0.01444 0.00000 0.02047 0.00000 163 3PY -0.00679 0.00000 0.01018 0.00000 164 3PZ 0.00000 0.01581 0.00000 0.02166 165 4S -0.00002 0.15298 0.00003 0.21597 166 4PX 0.10763 0.00000 -0.15080 0.00000 167 4PY 0.02768 0.00000 -0.04296 0.00000 168 4PZ 0.00000 0.00184 0.00000 0.00071 169 5XX 0.00000 0.00081 0.00000 0.00257 170 5YY 0.00000 -0.01512 0.00000 -0.01713 171 5ZZ 0.00000 -0.00720 0.00000 -0.00742 172 5XY 0.00000 0.00488 0.00000 0.00626 173 5XZ 0.00736 0.00000 -0.00861 0.00000 174 5YZ 0.00234 0.00000 -0.00294 0.00000 Density Matrix: 1 2 3 4 5 1 1 Al 1S 2.12840 2 2S -0.53037 2.18957 3 2PX -0.00153 0.00641 2.00062 4 2PY 0.00058 -0.00200 0.00382 2.00842 5 2PZ 0.00000 0.00000 0.00000 0.00000 1.99289 6 3S -0.03992 -0.09271 -0.02640 0.01100 0.00000 7 3PX 0.00275 -0.00979 -0.01022 -0.00939 0.00000 8 3PY -0.00156 0.00532 -0.00907 -0.02973 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00836 10 4S 0.00941 -0.01579 0.00272 -0.00778 0.00000 11 4PX 0.00020 -0.00037 -0.01971 0.00386 0.00000 12 4PY 0.00065 -0.00321 0.00215 -0.00964 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.01783 14 5XX 0.02598 -0.02860 0.00214 -0.00961 0.00000 15 5YY 0.02801 -0.03792 0.00079 0.00990 0.00000 16 5ZZ 0.02457 -0.02059 0.00986 -0.00504 0.00000 17 5XY 0.00064 -0.00347 -0.00599 -0.00626 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00465 19 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00093 20 2 Al 1S -0.00004 0.00008 0.00022 -0.00010 0.00000 21 2S 0.00008 -0.00030 -0.00104 0.00048 0.00000 22 2PX -0.00022 0.00104 -0.00435 0.00197 0.00000 23 2PY 0.00010 -0.00048 0.00197 -0.00006 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00365 25 3S -0.00114 0.00372 -0.00016 -0.00016 0.00000 26 3PX -0.00046 0.00224 0.00859 -0.00395 0.00000 27 3PY 0.00011 -0.00062 -0.00404 -0.00023 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.01052 29 4S -0.00054 0.00149 -0.01088 0.00498 0.00000 30 4PX -0.00115 0.00259 -0.00285 0.00162 0.00000 31 4PY -0.00007 0.00067 0.00214 -0.00056 0.00000 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00008 33 5XX 0.00101 -0.00412 0.00687 -0.00383 0.00000 34 5YY 0.00026 -0.00139 0.00048 0.00118 0.00000 35 5ZZ -0.00174 0.00759 -0.00635 0.00247 0.00000 36 5XY -0.00039 0.00143 -0.00461 0.00034 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00283 38 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00112 39 3 Cl 1S 0.00047 -0.00229 -0.00043 0.00485 0.00000 40 2S -0.00217 0.01046 0.00195 -0.02148 0.00000 41 2PX 0.00126 -0.00692 0.01709 0.00680 0.00000 42 2PY -0.01138 0.05343 0.00564 -0.05393 0.00000 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.02042 44 3S 0.00338 -0.01502 -0.00375 0.04371 0.00000 45 3PX -0.00310 0.01859 -0.04349 -0.01717 0.00000 46 3PY 0.02845 -0.13248 -0.01432 0.13661 -0.00001 47 3PZ 0.00000 0.00000 0.00000 -0.00001 -0.05200 48 4S 0.00058 0.00554 -0.00021 0.00431 0.00000 49 4PX -0.00137 0.00775 -0.02032 -0.00851 0.00000 50 4PY 0.01282 -0.05021 -0.00690 0.05939 0.00000 51 4PZ 0.00000 0.00000 0.00000 0.00000 -0.02632 52 5XX -0.00101 0.00390 0.00078 -0.00261 0.00000 53 5YY 0.00142 -0.00971 -0.00138 0.00522 0.00000 54 5ZZ -0.00107 0.00419 0.00042 -0.00268 0.00000 55 5XY -0.00027 0.00164 -0.00310 -0.00158 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00051 57 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00308 58 4 Cl 1S 0.00002 -0.00019 0.00016 0.00003 0.00000 59 2S -0.00006 0.00077 -0.00062 -0.00021 0.00000 60 2PX 0.00015 -0.00045 0.00085 -0.00114 0.00000 61 2PY 0.00022 -0.00151 0.00008 0.00067 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00269 63 3S 0.00029 -0.00155 0.00155 0.00030 0.00000 64 3PX -0.00032 0.00196 -0.00215 0.00295 0.00000 65 3PY -0.00062 0.00394 -0.00031 -0.00170 0.00000 66 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00695 67 4S -0.00027 -0.00023 0.00169 0.00002 0.00000 68 4PX -0.00011 0.00066 -0.00211 0.00244 0.00000 69 4PY -0.00006 0.00145 -0.00095 -0.00109 0.00000 70 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00399 71 5XX 0.00008 -0.00009 0.00022 -0.00019 0.00000 72 5YY 0.00007 -0.00015 0.00005 0.00004 0.00000 73 5ZZ 0.00007 0.00007 -0.00002 -0.00009 0.00000 74 5XY 0.00001 -0.00012 0.00008 -0.00005 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00010 76 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00013 77 5 Br 1S -0.00016 0.00117 0.00198 0.00157 0.00000 78 2S 0.00146 -0.00798 -0.01318 -0.01043 0.00000 79 3S -0.00216 0.00984 0.01565 0.01233 0.00000 80 4S -0.00314 0.01555 0.02742 0.02195 0.00000 81 5S 0.00151 -0.01461 -0.03059 -0.02383 0.00000 82 6S -0.00060 0.01528 0.01074 0.00631 0.00000 83 7PX -0.00350 0.01681 0.01020 0.01400 0.00000 84 7PY -0.00271 0.01346 0.01349 0.00472 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00771 86 8PX 0.01100 -0.05358 -0.03000 -0.04203 0.00000 87 8PY 0.00871 -0.04024 -0.04034 -0.01345 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.02366 89 9PX -0.01957 0.09595 0.05455 0.07632 0.00000 90 9PY -0.01550 0.07075 0.07349 0.02469 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 -0.04283 92 10PX -0.01485 0.06525 0.03812 0.05485 0.00000 93 10PY -0.01193 0.04809 0.05248 0.01455 0.00000 94 10PZ 0.00000 0.00000 0.00000 0.00000 -0.03469 95 11XX 0.00084 -0.00250 -0.00751 -0.00467 0.00000 96 11YY 0.00115 -0.00451 -0.00658 -0.00647 0.00000 97 11ZZ 0.00180 -0.00663 -0.00730 -0.00570 0.00000 98 11XY -0.00090 0.00360 0.00040 -0.00001 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00083 100 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00059 101 12XX 0.00189 -0.01108 -0.00653 -0.00949 0.00000 102 12YY 0.00107 -0.00669 -0.00899 -0.00126 0.00000 103 12ZZ -0.00046 0.00057 -0.00352 -0.00257 0.00000 104 12XY 0.00221 -0.01076 -0.00539 -0.00229 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00401 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00302 107 6 Br 1S 0.00003 -0.00010 0.00009 -0.00001 0.00000 108 2S 0.00007 0.00020 -0.00020 -0.00012 0.00000 109 3S -0.00038 0.00044 -0.00033 0.00038 0.00000 110 4S -0.00021 0.00018 -0.00003 0.00060 0.00000 111 5S 0.00101 -0.00310 0.00085 -0.00025 0.00000 112 6S -0.00308 0.00580 0.00059 -0.00235 0.00000 113 7PX 0.00003 -0.00086 -0.00036 -0.00022 0.00000 114 7PY 0.00013 -0.00037 0.00033 -0.00007 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00118 116 8PX -0.00011 0.00119 0.00149 0.00063 0.00000 117 8PY -0.00034 0.00194 -0.00095 0.00023 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00349 119 9PX 0.00032 -0.00180 -0.00241 -0.00115 0.00000 120 9PY 0.00066 -0.00397 0.00173 -0.00040 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00643 122 10PX -0.00020 -0.00065 -0.00251 -0.00179 0.00000 123 10PY 0.00017 -0.00223 0.00273 -0.00085 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00568 125 11XX 0.00033 -0.00038 0.00023 -0.00015 0.00000 126 11YY 0.00032 0.00012 0.00008 -0.00013 0.00000 127 11ZZ 0.00031 -0.00030 0.00014 -0.00019 0.00000 128 11XY 0.00000 -0.00005 0.00013 0.00003 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00014 130 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 131 12XX 0.00074 -0.00144 0.00049 -0.00011 0.00000 132 12YY 0.00076 -0.00148 0.00104 0.00012 0.00000 133 12ZZ 0.00081 -0.00132 0.00059 0.00025 0.00000 134 12XY -0.00003 0.00001 -0.00006 -0.00015 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00009 136 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00019 137 7 Cl 1S 0.00012 -0.00064 0.00183 -0.00067 -0.00244 138 2S -0.00087 0.00388 -0.00835 0.00308 0.01116 139 2PX -0.00498 0.02312 -0.01702 0.00986 0.02431 140 2PY 0.00202 -0.00937 0.00980 0.00404 -0.00964 141 2PZ 0.00447 -0.02140 0.02248 -0.00892 -0.01815 142 3S -0.00011 0.00103 0.01456 -0.00524 -0.01969 143 3PX 0.01253 -0.05951 0.04395 -0.02520 -0.06212 144 3PY -0.00509 0.02407 -0.02504 -0.00986 0.02466 145 3PZ -0.01117 0.05217 -0.05689 0.02254 0.04662 146 4S 0.00318 -0.00501 0.00551 -0.00119 -0.00993 147 4PX 0.00589 -0.02401 0.01987 -0.01115 -0.02871 148 4PY -0.00237 0.00989 -0.01139 -0.00561 0.01125 149 4PZ -0.00669 0.02451 -0.02760 0.01081 0.02644 150 5XX -0.00027 -0.00009 -0.00210 -0.00054 -0.00118 151 5YY -0.00085 0.00289 -0.00120 0.00175 0.00102 152 5ZZ 0.00034 -0.00293 0.00438 -0.00170 -0.00082 153 5XY -0.00028 0.00141 -0.00061 -0.00130 0.00118 154 5XZ -0.00123 0.00632 -0.00205 0.00182 0.00348 155 5YZ 0.00047 -0.00242 0.00180 0.00168 -0.00138 156 8 Cl 1S 0.00012 -0.00064 0.00183 -0.00067 0.00244 157 2S -0.00087 0.00389 -0.00835 0.00308 -0.01116 158 2PX -0.00498 0.02313 -0.01702 0.00987 -0.02432 159 2PY 0.00202 -0.00937 0.00980 0.00404 0.00964 160 2PZ -0.00447 0.02141 -0.02248 0.00892 -0.01815 161 3S -0.00011 0.00103 0.01456 -0.00524 0.01969 162 3PX 0.01253 -0.05952 0.04395 -0.02521 0.06213 163 3PY -0.00509 0.02408 -0.02505 -0.00987 -0.02466 164 3PZ 0.01117 -0.05219 0.05690 -0.02255 0.04662 165 4S 0.00318 -0.00501 0.00551 -0.00119 0.00993 166 4PX 0.00589 -0.02401 0.01987 -0.01115 0.02872 167 4PY -0.00237 0.00989 -0.01139 -0.00561 -0.01125 168 4PZ 0.00669 -0.02451 0.02761 -0.01081 0.02644 169 5XX -0.00027 -0.00009 -0.00210 -0.00054 0.00118 170 5YY -0.00086 0.00289 -0.00120 0.00175 -0.00102 171 5ZZ 0.00034 -0.00293 0.00438 -0.00170 0.00082 172 5XY -0.00028 0.00141 -0.00061 -0.00130 -0.00118 173 5XZ 0.00123 -0.00632 0.00205 -0.00182 0.00348 174 5YZ -0.00047 0.00242 -0.00180 -0.00168 -0.00138 6 7 8 9 10 6 3S 0.61154 7 3PX 0.03581 0.19532 8 3PY -0.02571 0.02363 0.24756 9 3PZ 0.00000 0.00001 -0.00001 0.13323 10 4S -0.02139 -0.00961 0.01486 0.00000 0.03775 11 4PX 0.01476 0.01747 -0.00584 0.00000 -0.02822 12 4PY 0.00059 -0.00338 -0.00425 0.00000 0.01804 13 4PZ 0.00000 0.00000 0.00000 0.01382 0.00000 14 5XX -0.01608 -0.00292 0.02929 0.00000 -0.00547 15 5YY 0.00565 0.01164 -0.03511 0.00000 0.00784 16 5ZZ -0.04377 -0.02320 0.01286 0.00000 0.00050 17 5XY 0.00657 0.02690 0.01759 0.00000 0.01051 18 5XZ 0.00001 0.00000 0.00000 -0.02212 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00725 0.00000 20 2 Al 1S -0.00114 0.00046 -0.00011 0.00000 -0.00054 21 2S 0.00372 -0.00224 0.00062 0.00000 0.00149 22 2PX 0.00016 0.00859 -0.00404 0.00000 0.01088 23 2PY 0.00016 -0.00395 -0.00023 0.00000 -0.00498 24 2PZ 0.00000 0.00000 0.00000 0.01052 0.00000 25 3S -0.01686 -0.00180 0.00085 0.00000 0.01724 26 3PX 0.00180 -0.02579 0.01098 0.00000 -0.02775 27 3PY -0.00085 0.01098 -0.00186 0.00000 0.01061 28 3PZ 0.00000 0.00000 0.00000 -0.02637 0.00000 29 4S 0.01724 0.02775 -0.01062 0.00000 -0.02568 30 4PX 0.00770 0.00973 0.00051 0.00000 -0.02319 31 4PY -0.00597 -0.00318 0.01071 0.00000 0.00930 32 4PZ 0.00000 0.00000 0.00000 -0.00267 0.00000 33 5XX 0.01008 -0.01590 0.00917 0.00000 0.00108 34 5YY 0.00371 -0.00072 -0.00292 0.00000 -0.00306 35 5ZZ -0.01557 0.01395 -0.00520 0.00000 -0.00169 36 5XY -0.00348 0.01113 -0.00064 0.00000 -0.00184 37 5XZ 0.00000 0.00000 0.00000 -0.00705 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00284 0.00000 39 3 Cl 1S 0.00137 0.00052 -0.00780 0.00000 -0.00882 40 2S -0.00527 -0.00249 0.03331 0.00000 0.03376 41 2PX 0.00991 -0.04393 -0.01908 0.00000 0.01833 42 2PY -0.13926 -0.01217 0.14514 -0.00001 0.00926 43 2PZ 0.00000 0.00000 -0.00001 -0.05321 0.00000 44 3S -0.00633 0.00512 -0.06644 0.00000 -0.03074 45 3PX -0.01697 0.11105 0.04945 0.00000 -0.08258 46 3PY 0.37014 0.03114 -0.35837 0.00002 -0.01302 47 3PZ -0.00001 0.00000 0.00002 0.13458 0.00000 48 4S -0.05388 -0.00061 0.03882 0.00000 -0.00813 49 4PX -0.00457 0.04724 0.01866 0.00000 -0.04038 50 4PY 0.12361 0.01259 -0.12372 0.00001 -0.00408 51 4PZ 0.00000 0.00000 0.00001 0.06440 0.00000 52 5XX -0.00897 -0.00180 0.00626 0.00000 0.00083 53 5YY 0.03075 0.00243 -0.01995 0.00000 -0.00219 54 5ZZ -0.00952 -0.00096 0.00656 0.00000 0.00040 55 5XY -0.00321 0.00702 0.00469 0.00000 -0.00284 56 5XZ 0.00000 0.00000 0.00000 -0.00113 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00692 0.00000 58 4 Cl 1S -0.00008 -0.00052 -0.00010 0.00000 0.00235 59 2S 0.00045 0.00230 0.00063 0.00000 -0.00979 60 2PX 0.00256 -0.00402 0.00432 0.00000 0.00934 61 2PY 0.00084 0.00073 -0.00256 0.00000 0.00755 62 2PZ 0.00000 0.00000 0.00000 -0.00761 0.00000 63 3S 0.00086 -0.00329 -0.00114 0.00000 0.00707 64 3PX -0.00140 0.01149 -0.01157 0.00000 -0.05360 65 3PY -0.00269 -0.00241 0.00741 0.00000 -0.01742 66 3PZ 0.00000 0.00000 0.00000 0.01848 0.00000 67 4S 0.00069 -0.00980 -0.00247 0.00000 -0.00092 68 4PX -0.00160 0.00553 -0.00636 0.00000 -0.02462 69 4PY -0.00173 0.00343 0.00219 0.00000 -0.00574 70 4PZ 0.00000 0.00000 0.00000 0.01222 0.00000 71 5XX 0.00018 -0.00014 0.00044 0.00000 -0.00072 72 5YY -0.00032 0.00055 -0.00028 0.00000 0.00165 73 5ZZ -0.00030 0.00057 0.00006 0.00000 -0.00040 74 5XY 0.00029 -0.00047 0.00019 0.00000 0.00206 75 5XZ 0.00000 0.00000 0.00000 -0.00023 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00016 0.00000 77 5 Br 1S 0.00399 -0.00377 -0.00235 0.00000 -0.03504 78 2S -0.01904 0.02341 0.01553 0.00000 0.16653 79 3S 0.01222 -0.02583 -0.01849 0.00000 -0.11023 80 4S 0.02444 -0.04239 -0.03074 0.00000 -0.16317 81 5S 0.00726 0.05657 0.04590 0.00000 -0.00927 82 6S -0.09123 -0.07291 -0.06008 0.00000 -0.02990 83 7PX -0.03545 -0.02397 -0.03491 0.00000 0.02449 84 7PY -0.02507 -0.03246 -0.01220 0.00000 0.00600 85 7PZ 0.00000 0.00000 0.00000 0.01956 0.00000 86 8PX 0.12794 0.07689 0.10909 0.00001 0.01279 87 8PY 0.11259 0.10018 0.03546 0.00000 -0.03203 88 8PZ 0.00000 0.00000 0.00000 -0.06060 0.00000 89 9PX -0.23221 -0.13878 -0.19650 -0.00001 -0.05836 90 9PY -0.21235 -0.18019 -0.06306 -0.00001 0.06366 91 9PZ 0.00000 -0.00001 0.00000 0.10931 0.00000 92 10PX -0.14409 -0.08019 -0.12376 -0.00001 -0.03973 93 10PY -0.13485 -0.11234 -0.02895 0.00000 0.05218 94 10PZ 0.00000 -0.00001 0.00000 0.08494 0.00000 95 11XX -0.01528 0.00977 0.00052 0.00000 0.05931 96 11YY -0.01207 0.00893 0.01163 0.00000 0.07799 97 11ZZ 0.00493 0.01783 0.01298 0.00000 0.06822 98 11XY -0.02037 -0.01023 -0.00669 0.00000 -0.00402 99 11XZ 0.00000 0.00000 0.00000 0.00376 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00310 0.00000 101 12XX 0.02416 0.01839 0.02265 0.00000 0.02596 102 12YY 0.01691 0.02094 0.00849 0.00000 0.01877 103 12ZZ -0.00238 0.01139 0.00915 0.00000 0.02272 104 12XY 0.02666 0.01014 0.00596 0.00000 -0.00155 105 12XZ 0.00000 0.00000 0.00000 -0.00662 0.00000 106 12YZ 0.00000 0.00000 0.00000 -0.00492 0.00000 107 6 Br 1S 0.00026 -0.00104 0.00025 0.00000 0.00264 108 2S -0.00124 0.00477 -0.00097 0.00000 -0.01160 109 3S 0.00072 -0.00283 0.00027 0.00000 0.00621 110 4S 0.00118 -0.00342 -0.00064 0.00000 0.00861 111 5S 0.00199 0.00219 -0.00310 0.00000 0.00907 112 6S -0.00476 -0.01609 0.01918 0.00000 -0.00503 113 7PX -0.00266 0.00167 0.00052 0.00000 0.01402 114 7PY 0.00252 -0.00160 0.00017 0.00000 -0.00197 115 7PZ 0.00000 0.00000 0.00000 0.00376 0.00000 116 8PX 0.00131 -0.00743 -0.00128 0.00000 0.00271 117 8PY -0.00251 0.00381 -0.00076 0.00000 -0.02323 118 8PZ 0.00000 0.00000 0.00000 -0.00987 0.00000 119 9PX 0.00073 0.01452 0.00220 0.00000 -0.02350 120 9PY 0.00245 -0.00668 0.00144 0.00000 0.05399 121 9PZ 0.00000 0.00000 0.00000 0.01725 0.00000 122 10PX -0.00064 0.00701 0.00500 0.00000 -0.01955 123 10PY 0.00271 -0.00914 0.00269 0.00000 0.03899 124 10PZ 0.00000 0.00000 0.00000 0.01703 0.00000 125 11XX -0.00104 0.00168 -0.00037 0.00000 0.00152 126 11YY 0.00079 0.00203 -0.00040 0.00000 -0.01228 127 11ZZ -0.00115 0.00211 -0.00038 0.00000 -0.00215 128 11XY -0.00049 -0.00048 -0.00012 0.00000 0.00196 129 11XZ 0.00000 0.00000 0.00000 0.00041 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00011 0.00000 131 12XX 0.00036 0.00298 -0.00257 0.00000 -0.00161 132 12YY 0.00088 0.00163 -0.00270 0.00000 0.00285 133 12ZZ 0.00021 0.00341 -0.00299 0.00000 -0.00026 134 12XY -0.00053 0.00026 0.00017 0.00000 0.00197 135 12XZ 0.00000 0.00000 0.00000 0.00021 0.00000 136 12YZ 0.00000 0.00000 0.00000 0.00069 0.00000 137 7 Cl 1S -0.00170 -0.00242 0.00082 0.00371 -0.00505 138 2S 0.00543 0.01041 -0.00350 -0.01647 0.01959 139 2PX -0.05566 0.04402 -0.02541 -0.05938 0.03150 140 2PY 0.02293 -0.02604 -0.01172 0.02351 -0.01236 141 2PZ 0.04548 -0.05831 0.02256 0.04225 -0.00514 142 3S -0.02750 -0.02207 0.00753 0.03079 -0.01959 143 3PX 0.13486 -0.11066 0.06460 0.15282 -0.00377 144 3PY -0.05550 0.06589 0.03038 -0.06057 0.00312 145 3PZ -0.12780 0.14926 -0.05786 -0.11058 0.01651 146 4S -0.01585 0.01270 -0.00644 0.00173 -0.01175 147 4PX 0.05092 -0.04556 0.02438 0.05722 -0.00980 148 4PY -0.02152 0.02521 0.01015 -0.02242 0.00367 149 4PZ -0.04762 0.05548 -0.02115 -0.04953 0.00731 150 5XX 0.00160 0.00398 0.00112 0.00184 0.00032 151 5YY -0.00510 0.00207 -0.00326 -0.00179 0.00066 152 5ZZ 0.00800 -0.01040 0.00394 0.00234 -0.00115 153 5XY -0.00327 0.00113 0.00258 -0.00197 0.00031 154 5XZ -0.01504 0.00518 -0.00396 -0.00787 -0.00034 155 5YZ 0.00586 -0.00407 -0.00324 0.00314 -0.00003 156 8 Cl 1S -0.00170 -0.00242 0.00082 -0.00371 -0.00505 157 2S 0.00543 0.01041 -0.00351 0.01647 0.01960 158 2PX -0.05567 0.04402 -0.02542 0.05939 0.03150 159 2PY 0.02294 -0.02604 -0.01172 -0.02352 -0.01236 160 2PZ -0.04549 0.05832 -0.02257 0.04226 0.00514 161 3S -0.02749 -0.02208 0.00753 -0.03080 -0.01960 162 3PX 0.13490 -0.11067 0.06461 -0.15284 -0.00378 163 3PY -0.05551 0.06590 0.03039 0.06058 0.00312 164 3PZ 0.12783 -0.14929 0.05787 -0.11058 -0.01651 165 4S -0.01585 0.01270 -0.00644 -0.00173 -0.01175 166 4PX 0.05093 -0.04556 0.02438 -0.05722 -0.00980 167 4PY -0.02153 0.02521 0.01016 0.02242 0.00367 168 4PZ 0.04762 -0.05548 0.02115 -0.04952 -0.00731 169 5XX 0.00160 0.00398 0.00112 -0.00184 0.00032 170 5YY -0.00510 0.00207 -0.00326 0.00179 0.00066 171 5ZZ 0.00800 -0.01040 0.00394 -0.00234 -0.00115 172 5XY -0.00327 0.00113 0.00258 0.00197 0.00031 173 5XZ 0.01504 -0.00518 0.00396 -0.00787 0.00034 174 5YZ -0.00586 0.00407 0.00324 0.00314 0.00003 11 12 13 14 15 11 4PX 0.04392 12 4PY -0.01065 0.02399 13 4PZ 0.00000 0.00000 0.02010 14 5XX 0.00735 -0.01171 0.00000 0.01413 15 5YY -0.01170 0.01459 0.00000 -0.01230 0.01904 16 5ZZ 0.00283 -0.00291 0.00000 0.00273 -0.00702 17 5XY -0.01659 -0.00205 0.00000 0.00059 0.00141 18 5XZ 0.00000 0.00000 0.01161 0.00000 0.00000 19 5YZ 0.00000 0.00000 -0.00393 0.00000 0.00000 20 2 Al 1S 0.00115 0.00007 0.00000 0.00101 0.00026 21 2S -0.00260 -0.00067 0.00000 -0.00412 -0.00139 22 2PX -0.00285 0.00214 0.00000 -0.00687 -0.00048 23 2PY 0.00162 -0.00056 0.00000 0.00383 -0.00118 24 2PZ 0.00000 0.00000 0.00008 0.00000 0.00000 25 3S -0.00770 0.00597 0.00000 0.01008 0.00371 26 3PX 0.00973 -0.00318 0.00000 0.01590 0.00072 27 3PY 0.00051 0.01072 0.00000 -0.00917 0.00293 28 3PZ 0.00000 0.00000 -0.00267 0.00000 0.00000 29 4S 0.02319 -0.00931 0.00000 0.00108 -0.00306 30 4PX 0.01785 -0.00737 0.00000 -0.00149 -0.00271 31 4PY -0.00737 0.00599 0.00000 -0.00148 0.00322 32 4PZ 0.00000 0.00000 0.00211 0.00000 0.00000 33 5XX 0.00149 0.00148 0.00000 0.00293 -0.00206 34 5YY 0.00271 -0.00322 0.00000 -0.00206 -0.00299 35 5ZZ -0.00214 0.00051 0.00000 0.00021 0.00412 36 5XY 0.00301 0.00206 0.00000 -0.00554 0.00225 37 5XZ 0.00000 0.00000 -0.00273 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00097 0.00000 0.00000 39 3 Cl 1S 0.00178 0.00558 0.00000 -0.00245 0.00471 40 2S -0.00682 -0.02046 0.00000 0.01043 -0.02059 41 2PX -0.04124 -0.00258 0.00000 -0.00544 0.01038 42 2PY -0.00290 -0.01510 0.00000 0.02576 -0.03953 43 2PZ 0.00000 0.00000 -0.02375 0.00000 0.00000 44 3S 0.00222 0.01915 0.00000 -0.02029 0.03858 45 3PX 0.14975 0.00451 0.00000 0.01416 -0.02475 46 3PY 0.00942 0.04163 0.00000 -0.06780 0.07938 47 3PZ 0.00000 0.00000 0.07940 0.00000 -0.00001 48 4S -0.00064 0.01350 0.00000 -0.00220 0.00963 49 4PX 0.07264 0.00425 0.00000 0.00546 -0.01096 50 4PY 0.00434 0.01795 0.00000 -0.02491 0.02979 51 4PZ 0.00000 0.00000 0.03897 0.00000 0.00000 52 5XX -0.00099 -0.00116 0.00000 0.00156 -0.00194 53 5YY 0.00149 0.00136 0.00000 -0.00341 0.00378 54 5ZZ 0.00000 -0.00081 0.00000 0.00136 -0.00192 55 5XY 0.00510 -0.00055 0.00000 0.00106 -0.00128 56 5XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00275 0.00000 0.00000 58 4 Cl 1S -0.00024 0.00203 0.00000 0.00011 -0.00030 59 2S 0.00162 -0.00753 0.00000 -0.00052 0.00134 60 2PX -0.00677 0.00100 0.00000 0.00191 0.00067 61 2PY -0.00031 0.00147 0.00000 -0.00220 -0.00189 62 2PZ 0.00000 0.00000 0.00016 0.00000 0.00000 63 3S -0.00198 0.00520 0.00000 0.00056 -0.00259 64 3PX 0.03321 -0.00763 0.00000 -0.00527 -0.00245 65 3PY 0.00033 -0.00305 0.00000 0.00609 0.00517 66 3PZ 0.00000 0.00000 -0.00200 0.00000 0.00000 67 4S -0.00070 -0.00207 0.00000 0.00345 -0.00333 68 4PX 0.01485 -0.00374 0.00000 -0.00281 -0.00164 69 4PY 0.00030 0.00097 0.00000 0.00127 0.00354 70 4PZ 0.00000 0.00000 -0.00143 0.00000 0.00000 71 5XX 0.00025 0.00002 0.00000 -0.00004 0.00016 72 5YY -0.00031 0.00061 0.00000 -0.00018 -0.00002 73 5ZZ -0.00001 -0.00006 0.00000 -0.00003 0.00024 74 5XY -0.00121 0.00000 0.00000 0.00011 -0.00020 75 5XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 76 5YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 77 5 Br 1S -0.01463 -0.02354 0.00000 -0.00115 -0.00026 78 2S 0.07080 0.11307 0.00000 0.00713 0.00137 79 3S -0.04920 -0.07701 0.00000 -0.00774 -0.00108 80 4S -0.07335 -0.11483 0.00000 -0.01378 -0.00187 81 5S 0.00827 0.00419 0.00000 0.01121 0.00122 82 6S -0.02466 -0.02568 0.00000 0.00630 0.00107 83 7PX 0.00201 0.00873 0.00000 -0.00216 -0.00946 84 7PY 0.00312 0.00868 0.00000 -0.01354 0.00548 85 7PZ 0.00000 0.00000 0.00518 0.00000 0.00000 86 8PX -0.03533 0.01704 0.00000 -0.00737 0.01754 87 8PY 0.02906 -0.04422 0.00000 0.02933 -0.02640 88 8PZ 0.00000 0.00000 -0.04163 0.00000 0.00000 89 9PX 0.07635 -0.04846 0.00000 0.01843 -0.02811 90 9PY -0.06862 0.08768 0.00000 -0.04883 0.05116 91 9PZ 0.00000 0.00000 0.08620 0.00000 0.00000 92 10PX 0.06173 -0.03553 0.00000 0.01652 -0.02417 93 10PY -0.05067 0.07266 0.00000 -0.03907 0.04105 94 10PZ 0.00000 0.00000 0.06942 0.00000 0.00000 95 11XX 0.03686 0.04155 0.00000 0.00503 0.00023 96 11YY 0.02261 0.05344 0.00000 0.00272 0.00167 97 11ZZ 0.02973 0.04625 0.00000 0.00304 -0.00010 98 11XY 0.00096 0.00097 0.00000 0.00069 0.00195 99 11XZ 0.00000 0.00000 0.00312 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00334 0.00000 0.00000 101 12XX 0.00862 0.02140 0.00000 -0.00039 0.00216 102 12YY 0.01748 0.01341 0.00000 0.00317 -0.00194 103 12ZZ 0.01241 0.01729 0.00000 0.00089 0.00016 104 12XY 0.00186 -0.00182 0.00000 0.00130 -0.00114 105 12XZ 0.00000 0.00000 -0.00360 0.00000 0.00000 106 12YZ 0.00000 0.00000 -0.00324 0.00000 0.00000 107 6 Br 1S -0.00495 -0.00846 0.00000 0.00007 -0.00013 108 2S 0.02330 0.04098 0.00000 -0.00046 0.00061 109 3S -0.01498 -0.02838 0.00000 0.00049 -0.00036 110 4S -0.02183 -0.04298 0.00000 0.00107 -0.00053 111 5S -0.00393 0.00112 0.00000 -0.00090 -0.00077 112 6S -0.00188 0.00080 0.00000 -0.00114 0.00158 113 7PX -0.00693 -0.00142 0.00000 -0.00152 -0.00029 114 7PY 0.00142 -0.00151 0.00000 -0.00020 -0.00031 115 7PZ 0.00000 0.00000 0.00065 0.00000 0.00000 116 8PX -0.00359 0.00602 0.00000 0.00578 0.00058 117 8PY 0.00797 -0.00622 0.00000 0.00043 0.00087 118 8PZ 0.00000 0.00000 0.00038 0.00000 0.00000 119 9PX 0.01670 -0.01187 0.00000 -0.01098 -0.00107 120 9PY -0.01959 0.01561 0.00000 -0.00067 -0.00149 121 9PZ 0.00000 0.00000 -0.00167 0.00000 0.00000 122 10PX 0.01254 -0.00843 0.00000 -0.00910 0.00002 123 10PY -0.01391 0.01159 0.00000 0.00097 -0.00162 124 10PZ 0.00000 0.00000 -0.00173 0.00000 0.00000 125 11XX 0.00690 0.01848 0.00000 -0.00028 0.00016 126 11YY 0.01397 0.01641 0.00000 -0.00017 0.00018 127 11ZZ 0.00773 0.01672 0.00000 -0.00020 0.00038 128 11XY -0.00156 -0.00012 0.00000 0.00026 0.00006 129 11XZ 0.00000 0.00000 -0.00012 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00063 0.00000 0.00000 131 12XX 0.00349 0.00430 0.00000 0.00007 -0.00014 132 12YY 0.00188 0.00601 0.00000 0.00036 -0.00033 133 12ZZ 0.00270 0.00499 0.00000 0.00012 -0.00003 134 12XY -0.00056 0.00070 0.00000 -0.00003 0.00015 135 12XZ 0.00000 0.00000 0.00004 0.00000 0.00000 136 12YZ 0.00000 0.00000 0.00001 0.00000 0.00000 137 7 Cl 1S 0.00304 -0.00127 -0.00273 0.00035 -0.00130 138 2S -0.01276 0.00530 0.01093 -0.00127 0.00579 139 2PX -0.02260 0.00528 0.01034 0.00380 0.01031 140 2PY 0.00385 -0.01283 -0.00387 0.00832 -0.01454 141 2PZ 0.00565 -0.00271 -0.01305 0.01570 -0.00837 142 3S 0.01824 -0.00668 -0.01452 0.00214 -0.01138 143 3PX 0.03046 0.00424 -0.01408 -0.01332 -0.02695 144 3PY 0.00755 0.04113 0.00510 -0.02036 0.03748 145 3PZ -0.01108 0.00763 0.03993 -0.03518 0.02401 146 4S 0.01655 -0.00711 -0.01452 0.00146 -0.00632 147 4PX 0.02020 -0.00141 -0.01000 -0.00489 -0.01287 148 4PY 0.00062 0.01981 0.00411 -0.01097 0.01857 149 4PZ -0.00803 0.00422 0.01968 -0.01540 0.01066 150 5XX -0.00031 0.00026 0.00088 -0.00059 0.00042 151 5YY -0.00086 0.00037 0.00076 -0.00104 0.00092 152 5ZZ 0.00061 -0.00042 -0.00154 0.00231 -0.00156 153 5XY -0.00036 0.00019 0.00009 0.00002 -0.00003 154 5XZ -0.00055 -0.00050 0.00028 0.00096 0.00116 155 5YZ -0.00054 -0.00167 -0.00014 0.00036 -0.00124 156 8 Cl 1S 0.00304 -0.00127 0.00273 0.00035 -0.00130 157 2S -0.01276 0.00530 -0.01093 -0.00127 0.00580 158 2PX -0.02260 0.00528 -0.01034 0.00380 0.01032 159 2PY 0.00385 -0.01283 0.00387 0.00832 -0.01454 160 2PZ -0.00565 0.00272 -0.01304 -0.01570 0.00837 161 3S 0.01824 -0.00668 0.01452 0.00214 -0.01138 162 3PX 0.03046 0.00424 0.01408 -0.01333 -0.02695 163 3PY 0.00755 0.04114 -0.00510 -0.02036 0.03749 164 3PZ 0.01109 -0.00764 0.03993 0.03518 -0.02401 165 4S 0.01656 -0.00711 0.01452 0.00146 -0.00632 166 4PX 0.02020 -0.00141 0.01000 -0.00490 -0.01287 167 4PY 0.00063 0.01981 -0.00411 -0.01097 0.01857 168 4PZ 0.00803 -0.00422 0.01967 0.01541 -0.01066 169 5XX -0.00031 0.00026 -0.00088 -0.00059 0.00042 170 5YY -0.00086 0.00037 -0.00076 -0.00104 0.00092 171 5ZZ 0.00061 -0.00042 0.00154 0.00231 -0.00156 172 5XY -0.00036 0.00019 -0.00009 0.00002 -0.00003 173 5XZ 0.00055 0.00050 0.00028 -0.00096 -0.00116 174 5YZ 0.00054 0.00167 -0.00014 -0.00037 0.00124 16 17 18 19 20 16 5ZZ 0.01159 17 5XY -0.00409 0.01846 18 5XZ 0.00000 0.00000 0.01513 19 5YZ 0.00000 0.00000 -0.00221 0.01162 20 2 Al 1S -0.00174 -0.00039 0.00000 0.00000 2.12840 21 2S 0.00759 0.00143 0.00000 0.00000 -0.53037 22 2PX 0.00635 0.00461 0.00000 0.00000 0.00153 23 2PY -0.00247 -0.00034 0.00000 0.00000 -0.00058 24 2PZ 0.00000 0.00000 -0.00283 0.00112 0.00000 25 3S -0.01557 -0.00347 0.00000 0.00000 -0.03992 26 3PX -0.01395 -0.01113 0.00000 0.00000 -0.00275 27 3PY 0.00519 0.00064 0.00000 0.00000 0.00156 28 3PZ 0.00000 0.00000 0.00705 -0.00284 0.00000 29 4S -0.00169 -0.00184 0.00000 0.00000 0.00941 30 4PX 0.00214 -0.00301 0.00000 0.00000 -0.00020 31 4PY -0.00051 -0.00206 0.00000 0.00000 -0.00065 32 4PZ 0.00000 0.00000 0.00273 -0.00097 0.00000 33 5XX 0.00021 -0.00554 0.00000 0.00000 0.02598 34 5YY 0.00412 0.00225 0.00000 0.00000 0.02801 35 5ZZ -0.00386 0.00230 0.00000 0.00000 0.02457 36 5XY 0.00230 0.00118 0.00000 0.00000 0.00064 37 5XZ 0.00000 0.00000 0.00009 0.00043 0.00000 38 5YZ 0.00000 0.00000 0.00043 0.00101 0.00000 39 3 Cl 1S -0.00188 -0.00092 0.00000 0.00000 0.00002 40 2S 0.00801 0.00405 0.00000 0.00000 -0.00006 41 2PX -0.00363 0.03152 0.00000 0.00000 -0.00015 42 2PY 0.01890 0.01174 0.00000 0.00000 -0.00022 43 2PZ 0.00000 0.00000 -0.00453 0.03149 0.00000 44 3S -0.01549 -0.00791 0.00000 0.00000 0.00029 45 3PX 0.00822 -0.07945 0.00000 0.00000 0.00032 46 3PY -0.05123 -0.02723 0.00000 -0.00001 0.00062 47 3PZ 0.00001 0.00000 0.01149 -0.07953 0.00000 48 4S 0.00000 -0.00273 0.00000 0.00000 -0.00027 49 4PX 0.00426 -0.04202 0.00000 0.00000 0.00011 50 4PY -0.01799 -0.01209 0.00000 0.00000 0.00006 51 4PZ 0.00000 0.00000 0.00512 -0.04412 0.00000 52 5XX 0.00124 0.00097 0.00000 0.00000 0.00008 53 5YY -0.00336 -0.00130 0.00000 0.00000 0.00007 54 5ZZ 0.00143 0.00032 0.00000 0.00000 0.00007 55 5XY 0.00020 -0.00187 0.00000 0.00000 0.00001 56 5XZ 0.00000 0.00000 0.00039 0.00034 0.00000 57 5YZ 0.00000 0.00000 -0.00014 -0.00233 0.00000 58 4 Cl 1S 0.00016 0.00008 0.00000 0.00000 0.00047 59 2S -0.00069 -0.00043 0.00000 0.00000 -0.00217 60 2PX -0.00116 -0.00156 0.00000 0.00000 -0.00126 61 2PY 0.00302 0.00149 0.00000 0.00000 0.01138 62 2PZ 0.00000 0.00000 0.00176 0.00085 0.00000 63 3S 0.00206 0.00087 0.00000 0.00000 0.00338 64 3PX 0.00414 0.00463 0.00000 0.00000 0.00311 65 3PY -0.00779 -0.00430 0.00000 0.00000 -0.02845 66 3PZ 0.00000 0.00000 -0.00416 -0.00282 0.00000 67 4S 0.00068 0.00095 0.00000 0.00000 0.00058 68 4PX 0.00278 0.00366 0.00000 0.00000 0.00138 69 4PY -0.00383 -0.00179 0.00000 0.00000 -0.01282 70 4PZ 0.00000 0.00000 -0.00329 -0.00127 0.00000 71 5XX -0.00005 -0.00021 0.00000 0.00000 -0.00101 72 5YY 0.00000 0.00008 0.00000 0.00000 0.00142 73 5ZZ -0.00015 -0.00003 0.00000 0.00000 -0.00107 74 5XY 0.00020 0.00008 0.00000 0.00000 -0.00027 75 5XZ 0.00000 0.00000 0.00011 0.00006 0.00000 76 5YZ 0.00000 0.00000 -0.00023 0.00007 0.00000 77 5 Br 1S 0.00018 -0.00091 0.00000 0.00000 0.00003 78 2S -0.00259 0.00788 0.00000 0.00000 0.00007 79 3S 0.00507 -0.01175 0.00000 0.00000 -0.00038 80 4S 0.00923 -0.02206 0.00000 0.00000 -0.00021 81 5S -0.01312 0.02506 0.00000 0.00000 0.00101 82 6S 0.00386 0.00686 0.00000 0.00000 -0.00308 83 7PX 0.00373 -0.01337 0.00000 0.00000 -0.00003 84 7PY 0.00098 -0.00845 0.00000 0.00000 -0.00013 85 7PZ 0.00000 0.00000 0.00891 0.00581 0.00000 86 8PX -0.01733 0.03392 0.00000 0.00000 0.00011 87 8PY -0.01081 0.01919 0.00000 0.00000 0.00034 88 8PZ 0.00000 0.00000 -0.02741 -0.01928 0.00000 89 9PX 0.03259 -0.05819 0.00000 0.00000 -0.00032 90 9PY 0.02155 -0.03162 0.00000 0.00000 -0.00066 91 9PZ 0.00000 0.00000 0.04970 0.03495 0.00000 92 10PX 0.02131 -0.03875 0.00000 0.00000 0.00020 93 10PY 0.01261 -0.02026 0.00000 0.00000 -0.00017 94 10PZ 0.00000 0.00000 0.04195 0.03129 0.00000 95 11XX -0.00098 0.00356 0.00000 0.00000 0.00033 96 11YY -0.00092 0.00518 0.00000 0.00000 0.00032 97 11ZZ -0.00367 0.00536 0.00000 0.00000 0.00031 98 11XY 0.00257 -0.00153 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00074 0.00141 0.00000 100 11YZ 0.00000 0.00000 0.00082 0.00066 0.00000 101 12XX -0.00344 0.00430 0.00000 0.00000 0.00074 102 12YY -0.00276 0.00198 0.00000 0.00000 0.00076 103 12ZZ -0.00077 0.00124 0.00000 0.00000 0.00081 104 12XY -0.00239 0.00257 0.00000 0.00000 -0.00003 105 12XZ 0.00000 0.00000 -0.00176 -0.00211 0.00000 106 12YZ 0.00000 0.00000 -0.00161 -0.00100 0.00000 107 6 Br 1S -0.00028 -0.00016 0.00000 0.00000 -0.00016 108 2S 0.00153 0.00056 0.00000 0.00000 0.00146 109 3S -0.00135 -0.00004 0.00000 0.00000 -0.00216 110 4S -0.00242 0.00040 0.00000 0.00000 -0.00314 111 5S 0.00143 0.00053 0.00000 0.00000 0.00151 112 6S 0.00134 -0.00811 0.00000 0.00000 -0.00060 113 7PX 0.00068 0.00015 0.00000 0.00000 0.00350 114 7PY 0.00095 -0.00024 0.00000 0.00000 0.00271 115 7PZ 0.00000 0.00000 -0.00055 0.00073 0.00000 116 8PX -0.00377 -0.00061 0.00000 0.00000 -0.01100 117 8PY -0.00181 0.00027 0.00000 0.00000 -0.00871 118 8PZ 0.00000 0.00000 0.00071 -0.00233 0.00000 119 9PX 0.00756 0.00111 0.00000 0.00000 0.01956 120 9PY 0.00291 -0.00030 0.00000 0.00000 0.01550 121 9PZ 0.00000 0.00000 -0.00090 0.00431 0.00000 122 10PX 0.00618 -0.00089 0.00000 0.00000 0.01485 123 10PY 0.00169 -0.00166 0.00000 0.00000 0.01194 124 10PZ 0.00000 0.00000 -0.00177 0.00414 0.00000 125 11XX 0.00046 0.00012 0.00000 0.00000 0.00084 126 11YY 0.00075 0.00027 0.00000 0.00000 0.00115 127 11ZZ 0.00089 0.00011 0.00000 0.00000 0.00180 128 11XY 0.00007 -0.00005 0.00000 0.00000 -0.00090 129 11XZ 0.00000 0.00000 -0.00019 0.00008 0.00000 130 11YZ 0.00000 0.00000 -0.00012 0.00003 0.00000 131 12XX -0.00012 0.00100 0.00000 0.00000 0.00189 132 12YY 0.00012 0.00076 0.00000 0.00000 0.00107 133 12ZZ -0.00001 0.00125 0.00000 0.00000 -0.00046 134 12XY -0.00020 -0.00021 0.00000 0.00000 0.00221 135 12XZ 0.00000 0.00000 0.00013 -0.00013 0.00000 136 12YZ 0.00000 0.00000 0.00003 0.00017 0.00000 137 7 Cl 1S 0.00220 -0.00098 -0.00281 0.00115 0.00012 138 2S -0.00925 0.00424 0.01226 -0.00502 -0.00087 139 2PX -0.01686 0.01211 0.01874 -0.01248 0.00498 140 2PY 0.00679 0.00698 -0.01239 -0.00728 -0.00202 141 2PZ -0.00107 -0.01381 -0.02162 0.00871 0.00447 142 3S 0.01981 -0.00796 -0.02343 0.00961 -0.00011 143 3PX 0.04025 -0.02936 -0.04577 0.03118 -0.01253 144 3PY -0.01636 -0.01905 0.03089 0.01916 0.00509 145 3PZ 0.00878 0.03399 0.05294 -0.02133 -0.01117 146 4S 0.00895 -0.00506 -0.01363 0.00558 0.00318 147 4PX 0.01823 -0.01543 -0.01975 0.01539 -0.00589 148 4PY -0.00736 -0.00910 0.01515 0.01183 0.00237 149 4PZ 0.00333 0.01520 0.02506 -0.01020 -0.00669 150 5XX -0.00025 0.00090 0.00040 0.00024 -0.00027 151 5YY 0.00010 0.00088 0.00098 -0.00082 -0.00086 152 5ZZ -0.00055 -0.00223 -0.00159 0.00064 0.00034 153 5XY 0.00019 0.00031 0.00065 0.00025 -0.00028 154 5XZ -0.00157 0.00077 0.00213 -0.00125 0.00123 155 5YZ 0.00064 0.00063 -0.00125 -0.00052 -0.00047 156 8 Cl 1S 0.00220 -0.00098 0.00281 -0.00115 0.00012 157 2S -0.00925 0.00424 -0.01227 0.00502 -0.00087 158 2PX -0.01687 0.01211 -0.01874 0.01248 0.00498 159 2PY 0.00679 0.00699 0.01240 0.00728 -0.00202 160 2PZ 0.00108 0.01382 -0.02162 0.00871 -0.00447 161 3S 0.01981 -0.00796 0.02343 -0.00961 -0.00011 162 3PX 0.04026 -0.02936 0.04578 -0.03119 -0.01253 163 3PY -0.01636 -0.01905 -0.03089 -0.01916 0.00509 164 3PZ -0.00879 -0.03400 0.05294 -0.02133 0.01117 165 4S 0.00895 -0.00506 0.01362 -0.00558 0.00318 166 4PX 0.01823 -0.01543 0.01975 -0.01539 -0.00589 167 4PY -0.00736 -0.00910 -0.01515 -0.01183 0.00237 168 4PZ -0.00334 -0.01520 0.02506 -0.01020 0.00669 169 5XX -0.00025 0.00090 -0.00040 -0.00024 -0.00027 170 5YY 0.00010 0.00088 -0.00098 0.00082 -0.00086 171 5ZZ -0.00055 -0.00223 0.00159 -0.00064 0.00034 172 5XY 0.00019 0.00031 -0.00065 -0.00025 -0.00028 173 5XZ 0.00157 -0.00077 0.00213 -0.00125 -0.00123 174 5YZ -0.00064 -0.00063 -0.00125 -0.00052 0.00047 21 22 23 24 25 21 2S 2.18957 22 2PX -0.00641 2.00062 23 2PY 0.00200 0.00382 2.00842 24 2PZ 0.00000 0.00000 0.00000 1.99289 25 3S -0.09271 0.02640 -0.01100 0.00000 0.61154 26 3PX 0.00979 -0.01022 -0.00938 0.00000 -0.03582 27 3PY -0.00531 -0.00907 -0.02974 0.00000 0.02570 28 3PZ 0.00000 0.00000 0.00000 0.00836 0.00000 29 4S -0.01579 -0.00272 0.00778 0.00000 -0.02139 30 4PX 0.00037 -0.01971 0.00386 0.00000 -0.01476 31 4PY 0.00321 0.00214 -0.00964 0.00000 -0.00060 32 4PZ 0.00000 0.00000 0.00000 -0.01783 0.00000 33 5XX -0.02860 -0.00215 0.00961 0.00000 -0.01608 34 5YY -0.03792 -0.00079 -0.00990 0.00000 0.00565 35 5ZZ -0.02059 -0.00986 0.00504 0.00000 -0.04377 36 5XY -0.00347 0.00599 0.00627 0.00000 0.00656 37 5XZ 0.00000 0.00000 0.00000 -0.00465 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00093 0.00000 39 3 Cl 1S -0.00019 -0.00016 -0.00004 0.00000 -0.00008 40 2S 0.00077 0.00062 0.00021 0.00000 0.00045 41 2PX 0.00046 0.00085 -0.00114 0.00000 -0.00256 42 2PY 0.00151 0.00007 0.00067 0.00000 -0.00083 43 2PZ 0.00000 0.00000 0.00000 0.00269 0.00000 44 3S -0.00155 -0.00155 -0.00030 0.00000 0.00085 45 3PX -0.00196 -0.00215 0.00295 0.00000 0.00142 46 3PY -0.00393 -0.00031 -0.00170 0.00000 0.00268 47 3PZ 0.00000 0.00000 0.00000 -0.00695 0.00000 48 4S -0.00023 -0.00169 -0.00002 0.00000 0.00069 49 4PX -0.00066 -0.00211 0.00244 0.00000 0.00160 50 4PY -0.00145 -0.00095 -0.00109 0.00000 0.00173 51 4PZ 0.00000 0.00000 0.00000 -0.00398 0.00000 52 5XX -0.00009 -0.00022 0.00019 0.00000 0.00018 53 5YY -0.00015 -0.00005 -0.00004 0.00000 -0.00032 54 5ZZ 0.00007 0.00002 0.00009 0.00000 -0.00030 55 5XY -0.00012 -0.00008 0.00005 0.00000 0.00029 56 5XZ 0.00000 0.00000 0.00000 -0.00010 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00013 0.00000 58 4 Cl 1S -0.00229 0.00043 -0.00485 0.00000 0.00137 59 2S 0.01046 -0.00195 0.02148 0.00000 -0.00527 60 2PX 0.00692 0.01708 0.00681 0.00000 -0.00993 61 2PY -0.05343 0.00565 -0.05393 0.00000 0.13926 62 2PZ 0.00000 0.00000 0.00000 0.02042 0.00000 63 3S -0.01502 0.00375 -0.04371 0.00000 -0.00633 64 3PX -0.01860 -0.04349 -0.01719 0.00000 0.01701 65 3PY 0.13248 -0.01435 0.13661 -0.00001 -0.37014 66 3PZ 0.00000 0.00000 -0.00001 -0.05200 0.00001 67 4S 0.00554 0.00021 -0.00431 0.00000 -0.05388 68 4PX -0.00776 -0.02032 -0.00852 0.00000 0.00458 69 4PY 0.05021 -0.00691 0.05938 0.00000 -0.12361 70 4PZ 0.00000 0.00000 0.00000 -0.02632 0.00000 71 5XX 0.00390 -0.00078 0.00261 0.00000 -0.00897 72 5YY -0.00971 0.00139 -0.00522 0.00000 0.03075 73 5ZZ 0.00419 -0.00042 0.00268 0.00000 -0.00952 74 5XY 0.00164 0.00310 0.00158 0.00000 -0.00322 75 5XZ 0.00000 0.00000 0.00000 -0.00051 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00308 0.00000 77 5 Br 1S -0.00010 -0.00009 0.00001 0.00000 0.00026 78 2S 0.00020 0.00019 0.00012 0.00000 -0.00124 79 3S 0.00044 0.00033 -0.00038 0.00000 0.00072 80 4S 0.00019 0.00003 -0.00060 0.00000 0.00119 81 5S -0.00310 -0.00085 0.00025 0.00000 0.00199 82 6S 0.00580 -0.00060 0.00235 0.00000 -0.00476 83 7PX 0.00086 -0.00036 -0.00022 0.00000 0.00266 84 7PY 0.00037 0.00033 -0.00007 0.00000 -0.00252 85 7PZ 0.00000 0.00000 0.00000 -0.00118 0.00000 86 8PX -0.00119 0.00149 0.00063 0.00000 -0.00131 87 8PY -0.00194 -0.00095 0.00023 0.00000 0.00251 88 8PZ 0.00000 0.00000 0.00000 0.00350 0.00000 89 9PX 0.00180 -0.00241 -0.00115 0.00000 -0.00074 90 9PY 0.00397 0.00173 -0.00040 0.00000 -0.00245 91 9PZ 0.00000 0.00000 0.00000 -0.00643 0.00000 92 10PX 0.00065 -0.00251 -0.00179 0.00000 0.00064 93 10PY 0.00223 0.00273 -0.00085 0.00000 -0.00270 94 10PZ 0.00000 0.00000 0.00000 -0.00568 0.00000 95 11XX -0.00038 -0.00023 0.00015 0.00000 -0.00104 96 11YY 0.00012 -0.00008 0.00013 0.00000 0.00079 97 11ZZ -0.00030 -0.00014 0.00019 0.00000 -0.00115 98 11XY -0.00005 -0.00013 -0.00003 0.00000 -0.00049 99 11XZ 0.00000 0.00000 0.00000 0.00014 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00003 0.00000 101 12XX -0.00144 -0.00049 0.00011 0.00000 0.00036 102 12YY -0.00148 -0.00104 -0.00012 0.00000 0.00089 103 12ZZ -0.00132 -0.00059 -0.00025 0.00000 0.00021 104 12XY 0.00001 0.00005 0.00015 0.00000 -0.00053 105 12XZ 0.00000 0.00000 0.00000 -0.00009 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00019 0.00000 107 6 Br 1S 0.00117 -0.00198 -0.00157 0.00000 0.00399 108 2S -0.00799 0.01318 0.01043 0.00000 -0.01905 109 3S 0.00984 -0.01565 -0.01233 0.00000 0.01223 110 4S 0.01555 -0.02742 -0.02195 0.00000 0.02444 111 5S -0.01461 0.03059 0.02383 0.00000 0.00726 112 6S 0.01528 -0.01073 -0.00631 0.00000 -0.09123 113 7PX -0.01681 0.01020 0.01400 0.00000 0.03544 114 7PY -0.01346 0.01350 0.00472 0.00000 0.02508 115 7PZ 0.00000 0.00000 0.00000 -0.00771 0.00000 116 8PX 0.05358 -0.02999 -0.04203 0.00000 -0.12793 117 8PY 0.04025 -0.04035 -0.01346 0.00000 -0.11261 118 8PZ 0.00000 0.00000 0.00000 0.02366 0.00000 119 9PX -0.09595 0.05453 0.07633 0.00000 0.23218 120 9PY -0.07076 0.07349 0.02471 0.00000 0.21237 121 9PZ 0.00000 0.00000 0.00000 -0.04283 0.00001 122 10PX -0.06524 0.03811 0.05485 0.00000 0.14408 123 10PY -0.04810 0.05248 0.01456 0.00000 0.13487 124 10PZ 0.00000 0.00000 0.00000 -0.03469 0.00000 125 11XX -0.00250 0.00751 0.00467 0.00000 -0.01528 126 11YY -0.00451 0.00658 0.00647 0.00000 -0.01207 127 11ZZ -0.00663 0.00730 0.00570 0.00000 0.00493 128 11XY 0.00361 -0.00040 0.00001 0.00000 -0.02037 129 11XZ 0.00000 0.00000 0.00000 0.00083 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00059 0.00000 131 12XX -0.01107 0.00653 0.00949 0.00000 0.02416 132 12YY -0.00669 0.00899 0.00126 0.00000 0.01691 133 12ZZ 0.00057 0.00351 0.00257 0.00000 -0.00238 134 12XY -0.01076 0.00539 0.00229 0.00000 0.02666 135 12XZ 0.00000 0.00000 0.00000 -0.00401 0.00000 136 12YZ 0.00000 0.00000 0.00000 -0.00302 0.00000 137 7 Cl 1S -0.00064 -0.00183 0.00067 -0.00244 -0.00170 138 2S 0.00389 0.00835 -0.00308 0.01116 0.00543 139 2PX -0.02313 -0.01703 0.00986 -0.02432 0.05567 140 2PY 0.00937 0.00980 0.00404 0.00964 -0.02293 141 2PZ -0.02141 -0.02248 0.00891 -0.01815 0.04549 142 3S 0.00103 -0.01456 0.00524 -0.01969 -0.02749 143 3PX 0.05952 0.04395 -0.02520 0.06214 -0.13490 144 3PY -0.02407 -0.02504 -0.00987 -0.02465 0.05550 145 3PZ 0.05219 0.05690 -0.02254 0.04662 -0.12783 146 4S -0.00501 -0.00551 0.00119 -0.00993 -0.01585 147 4PX 0.02401 0.01987 -0.01115 0.02872 -0.05093 148 4PY -0.00989 -0.01139 -0.00561 -0.01124 0.02152 149 4PZ 0.02451 0.02761 -0.01080 0.02644 -0.04762 150 5XX -0.00009 0.00210 0.00054 -0.00118 0.00160 151 5YY 0.00289 0.00120 -0.00175 0.00102 -0.00510 152 5ZZ -0.00293 -0.00438 0.00170 -0.00082 0.00800 153 5XY 0.00141 0.00061 0.00130 0.00118 -0.00327 154 5XZ -0.00632 -0.00205 0.00182 -0.00348 0.01504 155 5YZ 0.00242 0.00180 0.00168 0.00138 -0.00586 156 8 Cl 1S -0.00064 -0.00183 0.00067 0.00244 -0.00170 157 2S 0.00388 0.00835 -0.00308 -0.01116 0.00543 158 2PX -0.02313 -0.01702 0.00986 0.02431 0.05566 159 2PY 0.00937 0.00980 0.00404 -0.00964 -0.02293 160 2PZ 0.02141 0.02248 -0.00891 -0.01815 -0.04548 161 3S 0.00103 -0.01456 0.00524 0.01969 -0.02750 162 3PX 0.05951 0.04395 -0.02520 -0.06213 -0.13487 163 3PY -0.02407 -0.02504 -0.00987 0.02465 0.05549 164 3PZ -0.05217 -0.05689 0.02254 0.04662 0.12780 165 4S -0.00501 -0.00551 0.00119 0.00993 -0.01585 166 4PX 0.02401 0.01987 -0.01115 -0.02871 -0.05092 167 4PY -0.00989 -0.01139 -0.00561 0.01124 0.02152 168 4PZ -0.02451 -0.02761 0.01080 0.02644 0.04762 169 5XX -0.00009 0.00210 0.00054 0.00118 0.00160 170 5YY 0.00289 0.00120 -0.00175 -0.00102 -0.00510 171 5ZZ -0.00293 -0.00438 0.00170 0.00082 0.00800 172 5XY 0.00141 0.00061 0.00130 -0.00118 -0.00327 173 5XZ 0.00632 0.00205 -0.00182 -0.00348 -0.01504 174 5YZ -0.00241 -0.00180 -0.00168 0.00138 0.00585 26 27 28 29 30 26 3PX 0.19531 27 3PY 0.02362 0.24756 28 3PZ 0.00001 0.00000 0.13323 29 4S 0.00961 -0.01486 0.00000 0.03775 30 4PX 0.01747 -0.00583 0.00000 0.02823 0.04392 31 4PY -0.00338 -0.00425 0.00000 -0.01804 -0.01065 32 4PZ 0.00000 0.00000 0.01382 0.00000 0.00000 33 5XX 0.00293 -0.02928 0.00000 -0.00547 -0.00736 34 5YY -0.01165 0.03511 0.00000 0.00784 0.01170 35 5ZZ 0.02320 -0.01285 0.00000 0.00050 -0.00283 36 5XY -0.02689 -0.01760 0.00000 0.01051 0.01659 37 5XZ 0.00000 0.00000 0.02212 0.00000 0.00000 38 5YZ 0.00000 0.00000 -0.00724 0.00000 0.00000 39 3 Cl 1S 0.00052 0.00010 0.00000 0.00235 0.00024 40 2S -0.00230 -0.00063 0.00000 -0.00979 -0.00162 41 2PX -0.00402 0.00432 0.00000 -0.00934 -0.00677 42 2PY 0.00073 -0.00256 0.00000 -0.00755 -0.00031 43 2PZ 0.00000 0.00000 -0.00761 0.00000 0.00000 44 3S 0.00329 0.00114 0.00000 0.00707 0.00198 45 3PX 0.01149 -0.01157 0.00000 0.05359 0.03320 46 3PY -0.00242 0.00741 0.00000 0.01741 0.00032 47 3PZ 0.00000 0.00000 0.01847 0.00000 0.00000 48 4S 0.00980 0.00247 0.00000 -0.00092 0.00070 49 4PX 0.00553 -0.00636 0.00000 0.02462 0.01485 50 4PY 0.00343 0.00219 0.00000 0.00574 0.00030 51 4PZ 0.00000 0.00000 0.01222 0.00000 0.00000 52 5XX 0.00014 -0.00044 0.00000 -0.00072 -0.00025 53 5YY -0.00055 0.00028 0.00000 0.00165 0.00031 54 5ZZ -0.00057 -0.00006 0.00000 -0.00040 0.00001 55 5XY 0.00047 -0.00019 0.00000 0.00206 0.00121 56 5XZ 0.00000 0.00000 0.00023 0.00000 0.00000 57 5YZ 0.00000 0.00000 -0.00016 0.00000 0.00000 58 4 Cl 1S -0.00052 0.00780 0.00000 -0.00882 -0.00178 59 2S 0.00249 -0.03331 0.00000 0.03376 0.00682 60 2PX -0.04392 -0.01910 0.00000 -0.01833 -0.04124 61 2PY -0.01219 0.14514 -0.00001 -0.00927 -0.00290 62 2PZ 0.00000 -0.00001 -0.05321 0.00000 0.00000 63 3S -0.00513 0.06644 0.00000 -0.03074 -0.00221 64 3PX 0.11103 0.04950 0.00000 0.08258 0.14975 65 3PY 0.03119 -0.35836 0.00002 0.01303 0.00944 66 3PZ 0.00000 0.00001 0.13458 0.00000 0.00000 67 4S 0.00062 -0.03882 0.00000 -0.00813 0.00064 68 4PX 0.04724 0.01868 0.00000 0.04038 0.07264 69 4PY 0.01261 -0.12371 0.00001 0.00409 0.00435 70 4PZ 0.00000 0.00001 0.06440 0.00000 0.00000 71 5XX 0.00180 -0.00626 0.00000 0.00083 0.00099 72 5YY -0.00244 0.01995 0.00000 -0.00219 -0.00149 73 5ZZ 0.00096 -0.00656 0.00000 0.00040 0.00000 74 5XY -0.00702 -0.00470 0.00000 -0.00284 -0.00510 75 5XZ 0.00000 0.00000 0.00113 0.00000 0.00000 76 5YZ 0.00000 0.00000 -0.00692 0.00000 0.00000 77 5 Br 1S 0.00104 -0.00025 0.00000 0.00264 0.00495 78 2S -0.00476 0.00096 0.00000 -0.01159 -0.02330 79 3S 0.00282 -0.00027 0.00000 0.00620 0.01498 80 4S 0.00341 0.00065 0.00000 0.00860 0.02183 81 5S -0.00219 0.00310 0.00000 0.00907 0.00393 82 6S 0.01609 -0.01918 0.00000 -0.00503 0.00188 83 7PX 0.00167 0.00052 0.00000 -0.01403 -0.00694 84 7PY -0.00160 0.00017 0.00000 0.00198 0.00142 85 7PZ 0.00000 0.00000 0.00376 0.00000 0.00000 86 8PX -0.00743 -0.00128 0.00000 -0.00270 -0.00359 87 8PY 0.00381 -0.00076 0.00000 0.02324 0.00798 88 8PZ 0.00000 0.00000 -0.00988 0.00000 0.00000 89 9PX 0.01451 0.00220 0.00000 0.02349 0.01670 90 9PY -0.00668 0.00144 0.00000 -0.05400 -0.01960 91 9PZ 0.00000 0.00000 0.01726 0.00000 0.00000 92 10PX 0.00701 0.00500 0.00000 0.01955 0.01254 93 10PY -0.00914 0.00269 0.00000 -0.03900 -0.01392 94 10PZ 0.00000 0.00000 0.01704 0.00000 0.00000 95 11XX -0.00168 0.00037 0.00000 0.00152 -0.00690 96 11YY -0.00202 0.00040 0.00000 -0.01227 -0.01397 97 11ZZ -0.00211 0.00038 0.00000 -0.00215 -0.00773 98 11XY 0.00048 0.00012 0.00000 0.00196 0.00156 99 11XZ 0.00000 0.00000 -0.00041 0.00000 0.00000 100 11YZ 0.00000 0.00000 -0.00011 0.00000 0.00000 101 12XX -0.00298 0.00257 0.00000 -0.00160 -0.00349 102 12YY -0.00163 0.00270 0.00000 0.00285 -0.00188 103 12ZZ -0.00341 0.00299 0.00000 -0.00026 -0.00270 104 12XY -0.00026 -0.00017 0.00000 0.00197 0.00056 105 12XZ 0.00000 0.00000 -0.00021 0.00000 0.00000 106 12YZ 0.00000 0.00000 -0.00069 0.00000 0.00000 107 6 Br 1S 0.00377 0.00235 0.00000 -0.03505 0.01463 108 2S -0.02341 -0.01554 0.00000 0.16656 -0.07078 109 3S 0.02583 0.01850 0.00000 -0.11025 0.04918 110 4S 0.04239 0.03074 0.00000 -0.16320 0.07332 111 5S -0.05657 -0.04591 0.00000 -0.00927 -0.00827 112 6S 0.07290 0.06009 0.00000 -0.02990 0.02466 113 7PX -0.02397 -0.03491 0.00000 -0.02449 0.00201 114 7PY -0.03246 -0.01220 0.00000 -0.00601 0.00312 115 7PZ 0.00000 0.00000 0.01956 0.00000 0.00000 116 8PX 0.07687 0.10909 0.00001 -0.01279 -0.03534 117 8PY 0.10019 0.03548 0.00000 0.03203 0.02906 118 8PZ 0.00001 0.00000 -0.06060 0.00000 0.00000 119 9PX -0.13874 -0.19651 -0.00001 0.05836 0.07636 120 9PY -0.18020 -0.06310 -0.00001 -0.06364 -0.06862 121 9PZ -0.00001 0.00000 0.10931 0.00000 0.00000 122 10PX -0.08016 -0.12377 -0.00001 0.03973 0.06174 123 10PY -0.11235 -0.02897 0.00000 -0.05217 -0.05067 124 10PZ -0.00001 0.00000 0.08494 0.00000 0.00000 125 11XX -0.00977 -0.00052 0.00000 0.05932 -0.03685 126 11YY -0.00893 -0.01163 0.00000 0.07800 -0.02260 127 11ZZ -0.01783 -0.01298 0.00000 0.06822 -0.02972 128 11XY 0.01023 0.00669 0.00000 -0.00402 -0.00096 129 11XZ 0.00000 0.00000 -0.00376 0.00000 0.00000 130 11YZ 0.00000 0.00000 -0.00310 0.00000 0.00000 131 12XX -0.01838 -0.02265 0.00000 0.02596 -0.00862 132 12YY -0.02094 -0.00849 0.00000 0.01878 -0.01748 133 12ZZ -0.01139 -0.00915 0.00000 0.02272 -0.01240 134 12XY -0.01014 -0.00596 0.00000 -0.00155 -0.00186 135 12XZ 0.00000 0.00000 0.00662 0.00000 0.00000 136 12YZ 0.00000 0.00000 0.00492 0.00000 0.00000 137 7 Cl 1S 0.00242 -0.00082 0.00371 -0.00505 -0.00304 138 2S -0.01041 0.00350 -0.01647 0.01960 0.01276 139 2PX 0.04403 -0.02541 0.05939 -0.03150 -0.02260 140 2PY -0.02603 -0.01173 -0.02351 0.01236 0.00385 141 2PZ 0.05832 -0.02256 0.04226 -0.00514 -0.00565 142 3S 0.02208 -0.00753 0.03080 -0.01960 -0.01824 143 3PX -0.11068 0.06459 -0.15284 0.00377 0.03047 144 3PY 0.06589 0.03040 0.06056 -0.00311 0.00755 145 3PZ -0.14929 0.05785 -0.11058 0.01651 0.01108 146 4S -0.01271 0.00644 0.00173 -0.01175 -0.01656 147 4PX -0.04556 0.02437 -0.05723 0.00980 0.02020 148 4PY 0.02521 0.01016 0.02242 -0.00366 0.00063 149 4PZ -0.05549 0.02114 -0.04952 0.00731 0.00803 150 5XX -0.00398 -0.00112 0.00184 0.00032 0.00031 151 5YY -0.00207 0.00325 -0.00179 0.00066 0.00087 152 5ZZ 0.01040 -0.00394 0.00234 -0.00115 -0.00061 153 5XY -0.00113 -0.00258 -0.00197 0.00031 0.00036 154 5XZ 0.00518 -0.00396 0.00787 0.00034 -0.00055 155 5YZ -0.00407 -0.00324 -0.00314 0.00003 -0.00054 156 8 Cl 1S 0.00242 -0.00082 -0.00371 -0.00505 -0.00304 157 2S -0.01041 0.00350 0.01647 0.01959 0.01276 158 2PX 0.04402 -0.02541 -0.05939 -0.03150 -0.02260 159 2PY -0.02603 -0.01172 0.02351 0.01236 0.00385 160 2PZ -0.05831 0.02256 0.04225 0.00514 0.00565 161 3S 0.02208 -0.00753 -0.03079 -0.01960 -0.01824 162 3PX -0.11067 0.06458 0.15282 0.00378 0.03047 163 3PY 0.06588 0.03039 -0.06056 -0.00311 0.00754 164 3PZ 0.14927 -0.05785 -0.11058 -0.01651 -0.01108 165 4S -0.01270 0.00644 -0.00173 -0.01175 -0.01655 166 4PX -0.04556 0.02437 0.05722 0.00980 0.02020 167 4PY 0.02521 0.01016 -0.02242 -0.00366 0.00062 168 4PZ 0.05548 -0.02114 -0.04952 -0.00731 -0.00803 169 5XX -0.00398 -0.00112 -0.00184 0.00032 0.00031 170 5YY -0.00207 0.00325 0.00179 0.00066 0.00086 171 5ZZ 0.01040 -0.00394 -0.00234 -0.00115 -0.00061 172 5XY -0.00113 -0.00258 0.00197 0.00031 0.00036 173 5XZ -0.00518 0.00396 0.00787 -0.00034 0.00055 174 5YZ 0.00407 0.00324 -0.00314 -0.00003 0.00054 31 32 33 34 35 31 4PY 0.02399 32 4PZ 0.00000 0.02010 33 5XX 0.01171 0.00000 0.01413 34 5YY -0.01459 0.00000 -0.01230 0.01904 35 5ZZ 0.00291 0.00000 0.00273 -0.00702 0.01159 36 5XY 0.00205 0.00000 0.00059 0.00141 -0.00409 37 5XZ 0.00000 -0.01161 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00393 0.00000 0.00000 0.00000 39 3 Cl 1S -0.00203 0.00000 0.00011 -0.00030 0.00016 40 2S 0.00753 0.00000 -0.00052 0.00134 -0.00069 41 2PX 0.00100 0.00000 -0.00191 -0.00067 0.00116 42 2PY 0.00147 0.00000 0.00220 0.00188 -0.00302 43 2PZ 0.00000 0.00016 0.00000 0.00000 0.00000 44 3S -0.00520 0.00000 0.00056 -0.00259 0.00206 45 3PX -0.00762 0.00000 0.00527 0.00245 -0.00414 46 3PY -0.00304 0.00000 -0.00609 -0.00517 0.00779 47 3PZ 0.00000 -0.00200 0.00000 0.00000 0.00000 48 4S 0.00207 0.00000 0.00345 -0.00333 0.00068 49 4PX -0.00373 0.00000 0.00281 0.00164 -0.00278 50 4PY 0.00097 0.00000 -0.00128 -0.00354 0.00383 51 4PZ 0.00000 -0.00143 0.00000 0.00000 0.00000 52 5XX -0.00002 0.00000 -0.00004 0.00016 -0.00005 53 5YY -0.00061 0.00000 -0.00018 -0.00002 0.00000 54 5ZZ 0.00006 0.00000 -0.00003 0.00024 -0.00015 55 5XY 0.00000 0.00000 0.00011 -0.00020 0.00020 56 5XZ 0.00000 0.00001 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00002 0.00000 0.00000 0.00000 58 4 Cl 1S -0.00558 0.00000 -0.00245 0.00471 -0.00188 59 2S 0.02046 0.00000 0.01043 -0.02059 0.00801 60 2PX -0.00258 0.00000 0.00545 -0.01039 0.00363 61 2PY -0.01510 0.00000 -0.02576 0.03953 -0.01890 62 2PZ 0.00000 -0.02375 0.00000 0.00000 0.00000 63 3S -0.01914 0.00000 -0.02029 0.03858 -0.01549 64 3PX 0.00452 0.00000 -0.01419 0.02477 -0.00822 65 3PY 0.04163 0.00000 0.06780 -0.07937 0.05123 66 3PZ 0.00000 0.07940 0.00000 0.00001 -0.00001 67 4S -0.01350 0.00000 -0.00220 0.00963 0.00000 68 4PX 0.00425 0.00000 -0.00547 0.01097 -0.00426 69 4PY 0.01795 0.00000 0.02490 -0.02979 0.01799 70 4PZ 0.00000 0.03897 0.00000 0.00000 0.00000 71 5XX 0.00116 0.00000 0.00156 -0.00194 0.00124 72 5YY -0.00136 0.00000 -0.00341 0.00378 -0.00336 73 5ZZ 0.00081 0.00000 0.00136 -0.00192 0.00143 74 5XY 0.00055 0.00000 0.00106 -0.00128 0.00020 75 5XZ 0.00000 0.00002 0.00000 0.00000 0.00000 76 5YZ 0.00000 -0.00275 0.00000 0.00000 0.00000 77 5 Br 1S 0.00846 0.00000 0.00007 -0.00013 -0.00028 78 2S -0.04100 0.00000 -0.00045 0.00061 0.00153 79 3S 0.02839 0.00000 0.00049 -0.00036 -0.00135 80 4S 0.04299 0.00000 0.00107 -0.00053 -0.00242 81 5S -0.00112 0.00000 -0.00090 -0.00077 0.00143 82 6S -0.00080 0.00000 -0.00114 0.00157 0.00134 83 7PX -0.00142 0.00000 0.00152 0.00029 -0.00069 84 7PY -0.00151 0.00000 0.00020 0.00031 -0.00095 85 7PZ 0.00000 0.00065 0.00000 0.00000 0.00000 86 8PX 0.00601 0.00000 -0.00578 -0.00058 0.00377 87 8PY -0.00621 0.00000 -0.00043 -0.00087 0.00181 88 8PZ 0.00000 0.00038 0.00000 0.00000 0.00000 89 9PX -0.01187 0.00000 0.01098 0.00107 -0.00757 90 9PY 0.01560 0.00000 0.00067 0.00149 -0.00291 91 9PZ 0.00000 -0.00167 0.00000 0.00000 0.00000 92 10PX -0.00843 0.00000 0.00910 -0.00002 -0.00618 93 10PY 0.01159 0.00000 -0.00097 0.00162 -0.00169 94 10PZ 0.00000 -0.00173 0.00000 0.00000 0.00000 95 11XX -0.01848 0.00000 -0.00028 0.00016 0.00046 96 11YY -0.01642 0.00000 -0.00017 0.00018 0.00075 97 11ZZ -0.01672 0.00000 -0.00020 0.00038 0.00089 98 11XY 0.00012 0.00000 0.00026 0.00006 0.00007 99 11XZ 0.00000 0.00012 0.00000 0.00000 0.00000 100 11YZ 0.00000 -0.00063 0.00000 0.00000 0.00000 101 12XX -0.00430 0.00000 0.00007 -0.00014 -0.00012 102 12YY -0.00601 0.00000 0.00036 -0.00033 0.00012 103 12ZZ -0.00499 0.00000 0.00012 -0.00003 -0.00001 104 12XY -0.00070 0.00000 -0.00003 0.00015 -0.00020 105 12XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 106 12YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 107 6 Br 1S 0.02354 0.00000 -0.00115 -0.00026 0.00018 108 2S -0.11308 -0.00001 0.00713 0.00137 -0.00259 109 3S 0.07701 0.00000 -0.00774 -0.00108 0.00507 110 4S 0.11484 0.00001 -0.01378 -0.00187 0.00923 111 5S -0.00419 0.00000 0.01121 0.00122 -0.01312 112 6S 0.02568 0.00000 0.00630 0.00107 0.00386 113 7PX 0.00873 0.00000 0.00216 0.00946 -0.00373 114 7PY 0.00868 0.00000 0.01354 -0.00548 -0.00098 115 7PZ 0.00000 0.00518 0.00000 0.00000 0.00000 116 8PX 0.01704 0.00000 0.00738 -0.01755 0.01733 117 8PY -0.04421 0.00000 -0.02933 0.02639 0.01081 118 8PZ 0.00000 -0.04163 0.00000 0.00000 0.00000 119 9PX -0.04846 0.00000 -0.01844 0.02812 -0.03258 120 9PY 0.08767 0.00000 0.04882 -0.05115 -0.02156 121 9PZ 0.00000 0.08620 0.00000 0.00000 0.00000 122 10PX -0.03553 0.00000 -0.01653 0.02419 -0.02130 123 10PY 0.07265 0.00000 0.03906 -0.04104 -0.01261 124 10PZ 0.00000 0.06942 0.00000 0.00000 0.00000 125 11XX -0.04155 0.00000 0.00503 0.00023 -0.00099 126 11YY -0.05344 0.00000 0.00272 0.00167 -0.00092 127 11ZZ -0.04626 0.00000 0.00304 -0.00010 -0.00367 128 11XY -0.00096 0.00000 0.00069 0.00195 0.00257 129 11XZ 0.00000 -0.00312 0.00000 0.00000 0.00000 130 11YZ 0.00000 -0.00334 0.00000 0.00000 0.00000 131 12XX -0.02140 0.00000 -0.00039 0.00216 -0.00344 132 12YY -0.01342 0.00000 0.00317 -0.00194 -0.00276 133 12ZZ -0.01729 0.00000 0.00089 0.00016 -0.00077 134 12XY 0.00182 0.00000 0.00130 -0.00114 -0.00239 135 12XZ 0.00000 0.00360 0.00000 0.00000 0.00000 136 12YZ 0.00000 0.00324 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00127 -0.00273 0.00035 -0.00130 0.00220 138 2S -0.00530 0.01093 -0.00127 0.00580 -0.00925 139 2PX 0.00528 -0.01034 -0.00380 -0.01032 0.01687 140 2PY -0.01282 0.00387 -0.00832 0.01454 -0.00679 141 2PZ 0.00272 -0.01304 0.01571 -0.00838 -0.00107 142 3S 0.00668 -0.01452 0.00214 -0.01138 0.01981 143 3PX 0.00424 0.01408 0.01332 0.02696 -0.04026 144 3PY 0.04113 -0.00510 0.02036 -0.03748 0.01635 145 3PZ -0.00764 0.03993 -0.03519 0.02402 0.00879 146 4S 0.00711 -0.01452 0.00147 -0.00632 0.00895 147 4PX -0.00141 0.01000 0.00490 0.01287 -0.01823 148 4PY 0.01981 -0.00411 0.01097 -0.01857 0.00736 149 4PZ -0.00422 0.01967 -0.01541 0.01067 0.00334 150 5XX -0.00026 0.00088 -0.00059 0.00042 -0.00025 151 5YY -0.00037 0.00076 -0.00104 0.00092 0.00010 152 5ZZ 0.00042 -0.00154 0.00231 -0.00156 -0.00055 153 5XY -0.00019 0.00009 0.00002 -0.00003 0.00019 154 5XZ -0.00050 -0.00028 -0.00096 -0.00116 0.00157 155 5YZ -0.00167 0.00014 -0.00036 0.00124 -0.00064 156 8 Cl 1S 0.00127 0.00273 0.00035 -0.00130 0.00220 157 2S -0.00530 -0.01093 -0.00127 0.00580 -0.00925 158 2PX 0.00528 0.01034 -0.00380 -0.01032 0.01686 159 2PY -0.01282 -0.00387 -0.00832 0.01454 -0.00679 160 2PZ -0.00271 -0.01304 -0.01570 0.00837 0.00107 161 3S 0.00668 0.01452 0.00214 -0.01138 0.01981 162 3PX 0.00424 -0.01408 0.01331 0.02696 -0.04026 163 3PY 0.04113 0.00510 0.02036 -0.03748 0.01635 164 3PZ 0.00764 0.03993 0.03518 -0.02401 -0.00879 165 4S 0.00711 0.01452 0.00147 -0.00632 0.00895 166 4PX -0.00141 -0.01000 0.00489 0.01287 -0.01823 167 4PY 0.01981 0.00411 0.01097 -0.01856 0.00736 168 4PZ 0.00422 0.01967 0.01541 -0.01067 -0.00333 169 5XX -0.00026 -0.00088 -0.00059 0.00042 -0.00025 170 5YY -0.00037 -0.00076 -0.00104 0.00092 0.00010 171 5ZZ 0.00042 0.00154 0.00231 -0.00156 -0.00055 172 5XY -0.00019 -0.00009 0.00002 -0.00003 0.00019 173 5XZ 0.00050 -0.00028 0.00096 0.00116 -0.00157 174 5YZ 0.00167 0.00014 0.00036 -0.00124 0.00064 36 37 38 39 40 36 5XY 0.01846 37 5XZ 0.00000 0.01513 38 5YZ 0.00000 -0.00221 0.01162 39 3 Cl 1S 0.00008 0.00000 0.00000 2.16060 40 2S -0.00043 0.00000 0.00000 -0.61775 2.38949 41 2PX 0.00156 0.00000 0.00000 -0.00048 0.00223 42 2PY -0.00149 0.00000 0.00000 0.00397 -0.01830 43 2PZ 0.00000 -0.00176 -0.00085 0.00000 0.00000 44 3S 0.00087 0.00000 0.00000 0.04671 -0.44152 45 3PX -0.00463 0.00000 0.00000 0.00134 -0.00675 46 3PY 0.00430 0.00000 0.00000 -0.01090 0.05017 47 3PZ 0.00000 0.00416 0.00282 0.00000 0.00000 48 4S 0.00095 0.00000 0.00000 0.07191 -0.29795 49 4PX -0.00366 0.00000 0.00000 -0.00001 -0.00106 50 4PY 0.00180 0.00000 0.00000 -0.00519 0.02649 51 4PZ 0.00000 0.00328 0.00127 0.00000 0.00000 52 5XX -0.00021 0.00000 0.00000 0.02218 -0.02382 53 5YY 0.00008 0.00000 0.00000 0.02392 -0.03192 54 5ZZ -0.00003 0.00000 0.00000 0.02224 -0.02408 55 5XY 0.00008 0.00000 0.00000 -0.00026 0.00113 56 5XZ 0.00000 0.00011 0.00006 0.00000 0.00000 57 5YZ 0.00000 -0.00023 0.00007 0.00000 0.00000 58 4 Cl 1S -0.00092 0.00000 0.00000 -0.00002 0.00004 59 2S 0.00406 0.00000 0.00000 0.00004 -0.00007 60 2PX -0.03152 0.00000 0.00000 0.00012 -0.00044 61 2PY -0.01175 0.00000 0.00000 -0.00017 0.00081 62 2PZ 0.00000 0.00453 -0.03149 0.00000 0.00000 63 3S -0.00792 0.00000 0.00000 -0.00023 0.00088 64 3PX 0.07944 0.00000 0.00000 -0.00031 0.00094 65 3PY 0.02726 0.00000 0.00001 0.00044 -0.00206 66 3PZ 0.00000 -0.01150 0.07953 0.00000 0.00000 67 4S -0.00273 0.00000 0.00000 0.00064 -0.00199 68 4PX 0.04202 0.00000 0.00000 -0.00034 0.00137 69 4PY 0.01211 0.00000 0.00000 0.00022 -0.00117 70 4PZ 0.00000 -0.00512 0.04412 0.00000 0.00000 71 5XX 0.00097 0.00000 0.00000 -0.00005 0.00012 72 5YY -0.00130 0.00000 0.00000 -0.00006 0.00020 73 5ZZ 0.00032 0.00000 0.00000 -0.00004 0.00010 74 5XY -0.00187 0.00000 0.00000 -0.00001 0.00005 75 5XZ 0.00000 0.00039 0.00034 0.00000 0.00000 76 5YZ 0.00000 -0.00014 -0.00233 0.00000 0.00000 77 5 Br 1S -0.00016 0.00000 0.00000 0.00002 0.00012 78 2S 0.00056 0.00000 0.00000 0.00000 -0.00085 79 3S -0.00004 0.00000 0.00000 -0.00017 0.00114 80 4S 0.00040 0.00000 0.00000 0.00004 0.00076 81 5S 0.00053 0.00000 0.00000 0.00016 -0.00040 82 6S -0.00811 0.00000 0.00000 -0.00042 -0.00019 83 7PX -0.00015 0.00000 0.00000 0.00010 -0.00033 84 7PY 0.00024 0.00000 0.00000 0.00059 -0.00227 85 7PZ 0.00000 0.00055 -0.00073 0.00000 0.00000 86 8PX 0.00061 0.00000 0.00000 -0.00034 0.00093 87 8PY -0.00027 0.00000 0.00000 -0.00178 0.00777 88 8PZ 0.00000 -0.00071 0.00233 0.00000 0.00000 89 9PX -0.00111 0.00000 0.00000 0.00050 -0.00120 90 9PY 0.00030 0.00000 0.00000 0.00323 -0.01444 91 9PZ 0.00000 0.00090 -0.00431 0.00000 0.00000 92 10PX 0.00089 0.00000 0.00000 -0.00022 0.00217 93 10PY 0.00166 0.00000 0.00000 0.00145 -0.00729 94 10PZ 0.00000 0.00177 -0.00414 0.00000 0.00000 95 11XX 0.00012 0.00000 0.00000 0.00017 -0.00075 96 11YY 0.00027 0.00000 0.00000 0.00015 -0.00098 97 11ZZ 0.00011 0.00000 0.00000 0.00007 -0.00048 98 11XY -0.00005 0.00000 0.00000 0.00009 -0.00053 99 11XZ 0.00000 -0.00019 0.00008 0.00000 0.00000 100 11YZ 0.00000 -0.00012 0.00003 0.00000 0.00000 101 12XX 0.00100 0.00000 0.00000 0.00042 -0.00158 102 12YY 0.00076 0.00000 0.00000 0.00029 -0.00074 103 12ZZ 0.00125 0.00000 0.00000 0.00043 -0.00143 104 12XY -0.00021 0.00000 0.00000 0.00003 -0.00001 105 12XZ 0.00000 0.00013 -0.00013 0.00000 0.00000 106 12YZ 0.00000 0.00003 0.00017 0.00000 0.00000 107 6 Br 1S -0.00091 0.00000 0.00000 0.00002 0.00022 108 2S 0.00788 0.00000 0.00000 -0.00003 -0.00123 109 3S -0.01175 0.00000 0.00000 -0.00010 0.00121 110 4S -0.02207 0.00000 0.00000 0.00006 0.00109 111 5S 0.02506 0.00000 0.00000 0.00089 -0.00325 112 6S 0.00686 0.00000 0.00000 -0.00287 0.01039 113 7PX 0.01337 0.00000 0.00000 -0.00002 0.00027 114 7PY 0.00845 0.00000 0.00000 0.00001 0.00003 115 7PZ 0.00000 -0.00891 -0.00581 0.00000 0.00000 116 8PX -0.03392 0.00000 0.00000 0.00008 -0.00053 117 8PY -0.01920 0.00000 0.00000 -0.00002 0.00006 118 8PZ 0.00000 0.02741 0.01929 0.00000 0.00000 119 9PX 0.05818 0.00000 0.00000 -0.00012 0.00075 120 9PY 0.03164 0.00000 0.00000 0.00005 -0.00023 121 9PZ 0.00000 -0.04970 -0.03495 0.00000 0.00000 122 10PX 0.03874 0.00000 0.00000 -0.00041 0.00188 123 10PY 0.02028 0.00000 0.00000 -0.00008 0.00011 124 10PZ 0.00000 -0.04195 -0.03129 0.00000 0.00000 125 11XX 0.00357 0.00000 0.00000 0.00008 -0.00081 126 11YY 0.00518 0.00000 0.00000 0.00006 -0.00080 127 11ZZ 0.00536 0.00000 0.00000 0.00009 -0.00076 128 11XY -0.00153 0.00000 0.00000 0.00001 0.00002 129 11XZ 0.00000 0.00074 0.00141 0.00000 0.00000 130 11YZ 0.00000 0.00082 0.00066 0.00000 0.00000 131 12XX 0.00430 0.00000 0.00000 0.00051 -0.00197 132 12YY 0.00198 0.00000 0.00000 0.00058 -0.00225 133 12ZZ 0.00124 0.00000 0.00000 0.00046 -0.00182 134 12XY 0.00257 0.00000 0.00000 -0.00001 0.00004 135 12XZ 0.00000 -0.00176 -0.00211 0.00000 0.00000 136 12YZ 0.00000 -0.00161 -0.00100 0.00000 0.00000 137 7 Cl 1S -0.00098 0.00281 -0.00115 -0.00004 0.00012 138 2S 0.00424 -0.01227 0.00502 0.00012 -0.00032 139 2PX -0.01211 0.01874 -0.01248 0.00054 -0.00198 140 2PY -0.00699 -0.01239 -0.00728 -0.00106 0.00466 141 2PZ -0.01381 0.02162 -0.00871 -0.00039 0.00162 142 3S -0.00796 0.02343 -0.00960 -0.00042 0.00153 143 3PX 0.02935 -0.04578 0.03118 -0.00138 0.00558 144 3PY 0.01906 0.03089 0.01917 0.00274 -0.01258 145 3PZ 0.03399 -0.05294 0.02132 0.00091 -0.00364 146 4S -0.00506 0.01362 -0.00558 0.00134 -0.00517 147 4PX 0.01543 -0.01975 0.01539 0.00049 -0.00213 148 4PY 0.00911 0.01515 0.01184 0.00071 -0.00386 149 4PZ 0.01520 -0.02506 0.01020 0.00013 -0.00032 150 5XX 0.00090 -0.00040 -0.00024 -0.00006 0.00028 151 5YY 0.00088 -0.00098 0.00082 0.00004 -0.00011 152 5ZZ -0.00223 0.00159 -0.00064 -0.00008 0.00034 153 5XY 0.00031 -0.00065 -0.00025 0.00000 -0.00007 154 5XZ -0.00077 0.00213 -0.00125 0.00008 -0.00033 155 5YZ -0.00063 -0.00125 -0.00052 -0.00012 0.00060 156 8 Cl 1S -0.00098 -0.00281 0.00115 -0.00004 0.00012 157 2S 0.00424 0.01227 -0.00502 0.00012 -0.00032 158 2PX -0.01211 -0.01874 0.01248 0.00054 -0.00198 159 2PY -0.00699 0.01239 0.00728 -0.00106 0.00466 160 2PZ 0.01381 0.02162 -0.00871 0.00039 -0.00162 161 3S -0.00796 -0.02343 0.00960 -0.00042 0.00153 162 3PX 0.02935 0.04578 -0.03118 -0.00138 0.00558 163 3PY 0.01906 -0.03088 -0.01916 0.00274 -0.01258 164 3PZ -0.03398 -0.05294 0.02132 -0.00091 0.00364 165 4S -0.00506 -0.01363 0.00558 0.00134 -0.00517 166 4PX 0.01542 0.01975 -0.01539 0.00049 -0.00213 167 4PY 0.00911 -0.01515 -0.01183 0.00071 -0.00386 168 4PZ -0.01520 -0.02506 0.01020 -0.00013 0.00032 169 5XX 0.00090 0.00040 0.00024 -0.00006 0.00028 170 5YY 0.00088 0.00098 -0.00082 0.00004 -0.00011 171 5ZZ -0.00223 -0.00159 0.00064 -0.00008 0.00034 172 5XY 0.00031 0.00065 0.00025 0.00000 -0.00007 173 5XZ 0.00077 0.00213 -0.00125 -0.00008 0.00033 174 5YZ 0.00063 -0.00125 -0.00052 0.00012 -0.00060 41 42 43 44 45 41 2PX 2.11893 42 2PY 0.00243 2.09615 43 2PZ 0.00000 0.00000 2.11805 44 3S -0.00454 0.04152 0.00000 1.20401 45 3PX -0.33912 -0.00671 0.00000 0.01088 1.01778 46 3PY -0.00673 -0.27625 0.00000 -0.10954 0.01791 47 3PZ 0.00000 0.00000 -0.33588 0.00000 0.00000 48 4S -0.01022 0.06251 0.00000 0.50942 0.03471 49 4PX -0.22391 -0.00885 0.00000 0.00553 0.51942 50 4PY -0.00967 -0.13890 0.00000 -0.07173 0.02756 51 4PZ 0.00000 0.00000 -0.22778 0.00000 0.00000 52 5XX 0.00206 0.00542 0.00000 -0.01950 -0.00620 53 5YY -0.00056 -0.01711 0.00000 -0.00361 0.00050 54 5ZZ -0.00084 0.00522 0.00000 -0.01897 0.00152 55 5XY -0.01215 0.00173 0.00000 -0.00216 0.03176 56 5XZ 0.00000 0.00000 0.00127 0.00000 0.00000 57 5YZ 0.00000 0.00000 -0.01231 0.00000 0.00000 58 4 Cl 1S -0.00012 0.00017 0.00000 -0.00023 0.00031 59 2S 0.00044 -0.00081 0.00000 0.00088 -0.00094 60 2PX 0.00027 -0.00061 0.00000 0.00161 -0.00091 61 2PY -0.00061 0.00149 0.00000 -0.00173 0.00155 62 2PZ 0.00000 0.00000 -0.00175 0.00000 0.00000 63 3S -0.00161 0.00173 0.00000 -0.00165 0.00448 64 3PX -0.00091 0.00155 0.00000 -0.00448 0.00353 65 3PY 0.00172 -0.00390 0.00000 0.00434 -0.00438 66 3PZ 0.00000 0.00000 0.00472 0.00000 0.00000 67 4S 0.00005 0.00261 0.00000 0.00038 -0.00340 68 4PX 0.00025 0.00151 0.00000 -0.00383 -0.00290 69 4PY 0.00111 -0.00335 0.00000 0.00263 -0.00194 70 4PZ 0.00000 0.00000 0.00263 0.00000 0.00000 71 5XX 0.00001 -0.00008 0.00000 0.00008 0.00022 72 5YY -0.00010 0.00000 0.00000 -0.00012 0.00039 73 5ZZ 0.00001 -0.00020 0.00000 0.00011 0.00011 74 5XY -0.00007 0.00019 0.00000 -0.00001 0.00028 75 5XZ 0.00000 0.00000 -0.00016 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00030 0.00000 0.00000 77 5 Br 1S -0.00034 -0.00067 0.00000 0.00015 0.00034 78 2S 0.00252 0.00436 0.00000 -0.00070 -0.00319 79 3S -0.00317 -0.00504 0.00000 0.00039 0.00437 80 4S -0.00725 -0.00953 0.00000 0.00087 0.01571 81 5S -0.00430 0.01371 0.00000 -0.00156 0.02067 82 6S 0.04319 -0.00726 0.00000 0.01149 -0.14288 83 7PX -0.00010 -0.00299 0.00000 0.00138 0.00014 84 7PY -0.00342 -0.00607 0.00000 0.00668 0.00924 85 7PZ 0.00000 0.00000 0.00247 0.00000 0.00000 86 8PX 0.00073 0.00913 0.00000 -0.00483 -0.00253 87 8PY 0.01030 0.01901 0.00000 -0.01870 -0.02687 88 8PZ 0.00000 0.00000 -0.00708 0.00000 0.00000 89 9PX -0.00165 -0.01699 0.00000 0.00826 0.00680 90 9PY -0.01860 -0.03539 0.00000 0.03234 0.04732 91 9PZ 0.00000 0.00000 0.01213 0.00000 0.00000 92 10PX -0.00318 -0.00544 0.00000 -0.00188 0.00586 93 10PY -0.02499 -0.02817 0.00000 0.02075 0.07043 94 10PZ 0.00000 0.00000 0.01810 0.00000 0.00000 95 11XX 0.00084 0.00156 0.00000 0.00031 0.00045 96 11YY 0.00235 0.00329 0.00000 -0.00012 -0.00359 97 11ZZ 0.00116 0.00200 0.00000 -0.00086 -0.00050 98 11XY 0.00007 0.00047 0.00000 0.00100 -0.00010 99 11XZ 0.00000 0.00000 -0.00028 0.00000 0.00000 100 11YZ 0.00000 0.00000 -0.00070 0.00000 0.00000 101 12XX -0.00598 0.00173 0.00000 0.00061 0.02229 102 12YY -0.00652 0.00025 0.00000 -0.00223 0.02255 103 12ZZ -0.00428 0.00314 0.00000 0.00043 0.01738 104 12XY -0.00029 -0.00226 0.00000 -0.00148 0.00042 105 12XZ 0.00000 0.00000 -0.00032 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00120 0.00000 0.00000 107 6 Br 1S -0.00004 -0.00002 0.00000 0.00060 0.00023 108 2S 0.00003 0.00012 0.00000 -0.00287 -0.00098 109 3S 0.00028 -0.00011 0.00000 0.00199 0.00053 110 4S 0.00020 -0.00037 0.00000 0.00313 0.00015 111 5S 0.00015 -0.00110 0.00000 0.00158 -0.00209 112 6S -0.00162 0.00459 0.00000 -0.00412 0.01016 113 7PX -0.00027 0.00022 0.00000 0.00006 0.00075 114 7PY 0.00025 0.00028 0.00000 0.00012 -0.00066 115 7PZ 0.00000 0.00000 0.00048 0.00000 0.00000 116 8PX 0.00079 -0.00067 0.00000 0.00037 -0.00219 117 8PY -0.00082 -0.00086 0.00000 -0.00006 0.00221 118 8PZ 0.00000 0.00000 -0.00144 0.00000 0.00000 119 9PX -0.00158 0.00124 0.00000 -0.00089 0.00421 120 9PY 0.00168 0.00152 0.00000 -0.00009 -0.00470 121 9PZ 0.00000 0.00000 0.00259 0.00000 0.00000 122 10PX -0.00068 0.00122 0.00000 -0.00106 0.00170 123 10PY 0.00048 0.00185 0.00000 0.00030 -0.00048 124 10PZ 0.00000 0.00000 0.00280 0.00000 0.00000 125 11XX -0.00011 0.00000 0.00000 -0.00115 -0.00058 126 11YY -0.00026 0.00004 0.00000 -0.00141 -0.00017 127 11ZZ -0.00012 0.00010 0.00000 -0.00099 -0.00056 128 11XY 0.00010 0.00003 0.00000 0.00014 -0.00030 129 11XZ 0.00000 0.00000 0.00010 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00004 0.00000 0.00000 131 12XX -0.00021 -0.00059 0.00000 0.00028 -0.00128 132 12YY 0.00015 -0.00057 0.00000 0.00045 -0.00202 133 12ZZ -0.00019 -0.00077 0.00000 0.00016 -0.00196 134 12XY -0.00020 -0.00012 0.00000 0.00011 0.00040 135 12XZ 0.00000 0.00000 -0.00014 0.00000 0.00000 136 12YZ 0.00000 0.00000 -0.00006 0.00000 0.00000 137 7 Cl 1S -0.00085 0.00107 0.00112 -0.00045 0.00222 138 2S 0.00388 -0.00434 -0.00515 0.00177 -0.01065 139 2PX 0.00219 -0.00745 -0.00516 0.00640 -0.00587 140 2PY -0.00713 0.00811 0.00640 -0.01103 0.01879 141 2PZ -0.00454 0.00603 0.00243 -0.00451 0.01180 142 3S -0.00842 0.01231 0.01149 -0.00240 0.02070 143 3PX -0.00585 0.01979 0.01360 -0.01462 0.01495 144 3PY 0.01896 -0.02172 -0.01772 0.02645 -0.04969 145 3PZ 0.01234 -0.01612 -0.00698 0.01132 -0.03211 146 4S -0.01593 0.00070 0.01732 0.00463 0.05170 147 4PX -0.00629 0.00851 0.01320 -0.00097 0.02091 148 4PY 0.01519 -0.01433 -0.00991 0.01278 -0.04291 149 4PZ 0.01104 -0.00677 -0.00671 0.00233 -0.03091 150 5XX -0.00073 -0.00042 -0.00079 -0.00017 0.00124 151 5YY 0.00197 -0.00078 -0.00154 0.00044 -0.00545 152 5ZZ -0.00054 0.00113 0.00108 -0.00063 0.00117 153 5XY -0.00090 0.00189 0.00205 0.00059 0.00237 154 5XZ -0.00050 0.00056 -0.00019 0.00127 0.00107 155 5YZ 0.00150 -0.00095 -0.00041 -0.00166 -0.00362 156 8 Cl 1S -0.00085 0.00107 -0.00112 -0.00045 0.00222 157 2S 0.00388 -0.00434 0.00515 0.00177 -0.01065 158 2PX 0.00219 -0.00745 0.00516 0.00640 -0.00587 159 2PY -0.00713 0.00811 -0.00640 -0.01103 0.01879 160 2PZ 0.00454 -0.00603 0.00243 0.00451 -0.01180 161 3S -0.00842 0.01231 -0.01150 -0.00240 0.02070 162 3PX -0.00585 0.01979 -0.01360 -0.01462 0.01495 163 3PY 0.01896 -0.02173 0.01772 0.02645 -0.04969 164 3PZ -0.01234 0.01612 -0.00697 -0.01132 0.03211 165 4S -0.01593 0.00070 -0.01732 0.00464 0.05170 166 4PX -0.00629 0.00851 -0.01320 -0.00097 0.02091 167 4PY 0.01519 -0.01433 0.00991 0.01278 -0.04291 168 4PZ -0.01104 0.00677 -0.00671 -0.00233 0.03091 169 5XX -0.00073 -0.00042 0.00079 -0.00017 0.00124 170 5YY 0.00197 -0.00078 0.00154 0.00044 -0.00545 171 5ZZ -0.00054 0.00113 -0.00108 -0.00063 0.00117 172 5XY -0.00090 0.00189 -0.00205 0.00059 0.00237 173 5XZ 0.00050 -0.00056 -0.00019 -0.00127 -0.00107 174 5YZ -0.00150 0.00095 -0.00041 0.00166 0.00362 46 47 48 49 50 46 3PY 0.84669 47 3PZ 0.00000 1.00481 48 4S -0.16238 0.00001 0.24557 49 4PX 0.02262 0.00000 0.01609 0.26788 50 4PY 0.30764 0.00001 -0.06892 0.01908 0.11505 51 4PZ 0.00001 0.53476 0.00000 0.00000 0.00001 52 5XX -0.01408 0.00000 -0.00476 -0.00341 -0.00465 53 5YY 0.04923 0.00000 -0.00709 0.00091 0.01747 54 5ZZ -0.01359 0.00000 -0.00422 0.00056 -0.00427 55 5XY -0.00505 0.00000 0.00076 0.01585 -0.00106 56 5XZ 0.00000 -0.00339 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.03245 0.00000 0.00000 0.00000 58 4 Cl 1S -0.00044 0.00000 0.00064 0.00034 -0.00022 59 2S 0.00206 0.00000 -0.00199 -0.00137 0.00117 60 2PX 0.00172 0.00000 -0.00005 0.00025 0.00111 61 2PY -0.00390 0.00000 -0.00261 0.00151 -0.00335 62 2PZ 0.00000 0.00472 0.00000 0.00000 0.00000 63 3S -0.00434 0.00000 0.00038 0.00383 -0.00264 64 3PX -0.00438 0.00000 0.00340 -0.00290 -0.00194 65 3PY 0.01025 0.00000 0.00694 -0.00426 0.00866 66 3PZ 0.00000 -0.01283 0.00000 0.00000 0.00000 67 4S -0.00693 0.00000 -0.00067 -0.00080 -0.00356 68 4PX -0.00426 0.00000 0.00079 -0.00364 -0.00205 69 4PY 0.00866 0.00000 0.00356 -0.00205 0.00538 70 4PZ 0.00000 -0.00668 0.00000 0.00000 0.00000 71 5XX 0.00022 0.00000 0.00031 0.00003 0.00025 72 5YY -0.00002 0.00000 -0.00019 0.00029 -0.00017 73 5ZZ 0.00055 0.00000 0.00011 -0.00001 0.00033 74 5XY -0.00045 0.00000 -0.00037 0.00033 -0.00027 75 5XZ 0.00000 0.00040 0.00000 0.00000 0.00000 76 5YZ 0.00000 -0.00075 0.00000 0.00000 0.00000 77 5 Br 1S 0.00154 0.00000 -0.00375 0.00525 0.00242 78 2S -0.01014 0.00000 0.01945 -0.02659 -0.01215 79 3S 0.01177 0.00000 -0.01586 0.02025 0.00922 80 4S 0.02284 0.00000 -0.02503 0.03563 0.01525 81 5S -0.02835 0.00000 0.01387 0.00513 -0.00612 82 6S 0.00208 -0.00001 -0.00732 -0.06734 0.00006 83 7PX 0.00782 0.00000 -0.00546 0.00204 -0.00002 84 7PY 0.01586 0.00000 0.00041 0.00513 0.00748 85 7PZ 0.00000 -0.00651 0.00000 0.00000 0.00000 86 8PX -0.02352 0.00000 0.01935 -0.00053 -0.00439 87 8PY -0.05009 0.00000 -0.01826 -0.02401 -0.02654 88 8PZ 0.00000 0.01723 0.00000 0.00000 0.00000 89 9PX 0.04339 0.00000 -0.03650 -0.00078 0.01000 90 9PY 0.09382 0.00000 0.03943 0.04631 0.05026 91 9PZ 0.00000 -0.02740 0.00000 0.00000 0.00000 92 10PX 0.01760 0.00000 -0.02755 -0.00275 0.00161 93 10PY 0.07493 0.00000 0.03214 0.05204 0.04067 94 10PZ 0.00000 -0.05131 0.00000 0.00000 0.00000 95 11XX -0.00341 0.00000 0.00592 -0.01179 -0.00507 96 11YY -0.00769 0.00000 0.01227 -0.01096 -0.00563 97 11ZZ -0.00458 0.00000 0.00806 -0.01094 -0.00496 98 11XY -0.00102 0.00000 0.00279 0.00025 0.00059 99 11XZ 0.00000 0.00071 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00182 0.00000 0.00000 0.00000 101 12XX -0.00179 0.00000 0.00794 0.00779 -0.00064 102 12YY 0.00141 0.00000 0.00165 0.00655 -0.00069 103 12ZZ -0.00568 0.00000 0.00540 0.00485 -0.00251 104 12XY 0.00448 0.00000 -0.00167 -0.00044 0.00099 105 12XZ 0.00000 0.00178 0.00000 0.00000 0.00000 106 12YZ 0.00000 -0.00237 0.00000 0.00000 0.00000 107 6 Br 1S 0.00005 0.00000 -0.00561 -0.00012 -0.00056 108 2S -0.00026 0.00000 0.02694 0.00066 0.00271 109 3S 0.00016 0.00000 -0.01829 -0.00056 -0.00188 110 4S 0.00090 0.00000 -0.02766 -0.00125 -0.00274 111 5S 0.00270 0.00000 -0.00182 -0.00069 0.00012 112 6S -0.01146 0.00000 0.00437 0.00515 -0.00073 113 7PX -0.00056 0.00000 -0.00394 0.00061 -0.00103 114 7PY -0.00073 0.00000 -0.00074 -0.00056 -0.00040 115 7PZ 0.00000 -0.00125 0.00000 0.00000 0.00000 116 8PX 0.00166 0.00000 0.00463 -0.00001 0.00174 117 8PY 0.00224 0.00000 0.00021 0.00078 0.00141 118 8PZ 0.00000 0.00365 0.00000 0.00000 0.00000 119 9PX -0.00304 0.00000 -0.00558 -0.00059 -0.00265 120 9PY -0.00393 0.00000 0.00039 -0.00135 -0.00259 121 9PZ 0.00000 -0.00644 0.00000 0.00000 0.00000 122 10PX -0.00299 0.00000 -0.00305 -0.00122 -0.00152 123 10PY -0.00496 0.00000 0.00152 0.00054 -0.00228 124 10PZ 0.00000 -0.00716 0.00000 0.00000 0.00000 125 11XX 0.00008 0.00000 0.01101 0.00026 0.00110 126 11YY -0.00002 0.00000 0.01244 -0.00028 0.00152 127 11ZZ -0.00015 0.00000 0.01008 0.00078 0.00080 128 11XY -0.00006 0.00000 -0.00077 0.00037 -0.00024 129 11XZ 0.00000 -0.00027 0.00000 0.00000 0.00000 130 11YZ 0.00000 -0.00011 0.00000 0.00000 0.00000 131 12XX 0.00165 0.00000 0.00238 -0.00056 0.00044 132 12YY 0.00154 0.00000 0.00283 -0.00080 0.00039 133 12ZZ 0.00206 0.00000 0.00253 -0.00085 0.00064 134 12XY 0.00024 0.00000 0.00006 0.00022 0.00010 135 12XZ 0.00000 0.00028 0.00000 0.00000 0.00000 136 12YZ 0.00000 0.00032 0.00000 0.00000 0.00000 137 7 Cl 1S -0.00261 -0.00291 0.00140 0.00040 -0.00056 138 2S 0.01060 0.01355 -0.00542 -0.00233 0.00224 139 2PX 0.01911 0.01351 -0.00696 -0.00153 0.00594 140 2PY -0.02138 -0.01720 -0.00899 0.01261 -0.01323 141 2PZ -0.01543 -0.00661 0.00236 0.00843 -0.00553 142 3S -0.03020 -0.02893 0.00753 0.00656 -0.00869 143 3PX -0.05071 -0.03477 0.00750 0.00804 -0.02043 144 3PY 0.05822 0.04829 0.03566 -0.03583 0.03591 145 3PZ 0.04205 0.01983 -0.00821 -0.02272 0.01361 146 4S -0.00320 -0.05031 0.00193 0.02339 -0.00049 147 4PX -0.02350 -0.03801 0.00535 0.01004 -0.00923 148 4PY 0.03478 0.02545 0.01512 -0.02649 0.01923 149 4PZ 0.01714 0.01544 -0.00358 -0.01802 0.00560 150 5XX 0.00059 0.00198 -0.00003 0.00053 0.00023 151 5YY 0.00197 0.00417 -0.00042 -0.00285 0.00059 152 5ZZ -0.00325 -0.00247 0.00074 0.00102 -0.00106 153 5XY -0.00479 -0.00536 0.00115 0.00120 -0.00160 154 5XZ -0.00100 0.00062 0.00023 0.00033 -0.00012 155 5YZ 0.00228 0.00107 -0.00256 -0.00142 0.00009 156 8 Cl 1S -0.00261 0.00291 0.00140 0.00040 -0.00056 157 2S 0.01060 -0.01355 -0.00542 -0.00233 0.00224 158 2PX 0.01911 -0.01351 -0.00696 -0.00153 0.00594 159 2PY -0.02138 0.01720 -0.00899 0.01261 -0.01323 160 2PZ 0.01543 -0.00661 -0.00236 -0.00843 0.00553 161 3S -0.03020 0.02894 0.00753 0.00656 -0.00869 162 3PX -0.05071 0.03477 0.00751 0.00804 -0.02042 163 3PY 0.05822 -0.04829 0.03566 -0.03583 0.03591 164 3PZ -0.04205 0.01983 0.00821 0.02272 -0.01361 165 4S -0.00319 0.05031 0.00193 0.02339 -0.00048 166 4PX -0.02349 0.03801 0.00535 0.01004 -0.00923 167 4PY 0.03478 -0.02546 0.01512 -0.02650 0.01923 168 4PZ -0.01714 0.01544 0.00358 0.01802 -0.00560 169 5XX 0.00059 -0.00198 -0.00003 0.00053 0.00023 170 5YY 0.00197 -0.00417 -0.00042 -0.00285 0.00059 171 5ZZ -0.00325 0.00247 0.00074 0.00102 -0.00105 172 5XY -0.00479 0.00536 0.00115 0.00120 -0.00160 173 5XZ 0.00100 0.00062 -0.00023 -0.00033 0.00012 174 5YZ -0.00228 0.00107 0.00256 0.00142 -0.00009 51 52 53 54 55 51 4PZ 0.28695 52 5XX 0.00000 0.00120 53 5YY 0.00000 -0.00032 0.00374 54 5ZZ 0.00000 0.00114 -0.00032 0.00114 55 5XY 0.00000 -0.00006 -0.00031 0.00017 0.00115 56 5XZ -0.00183 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.01713 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 -0.00005 -0.00006 -0.00004 -0.00001 59 2S 0.00000 0.00012 0.00020 0.00010 0.00005 60 2PX 0.00000 -0.00001 0.00010 -0.00001 0.00007 61 2PY 0.00000 0.00008 0.00000 0.00020 -0.00019 62 2PZ 0.00263 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00008 -0.00012 0.00011 -0.00001 64 3PX 0.00000 -0.00022 -0.00039 -0.00011 -0.00028 65 3PY 0.00000 -0.00022 0.00002 -0.00055 0.00045 66 3PZ -0.00668 0.00000 0.00000 0.00000 0.00000 67 4S 0.00000 0.00031 -0.00019 0.00011 -0.00037 68 4PX 0.00000 -0.00003 -0.00029 0.00001 -0.00033 69 4PY 0.00000 -0.00025 0.00017 -0.00033 0.00027 70 4PZ -0.00349 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00000 -0.00002 -0.00001 -0.00002 0.00002 72 5YY 0.00000 -0.00001 0.00001 0.00001 0.00001 73 5ZZ 0.00000 -0.00002 0.00001 -0.00002 0.00003 74 5XY 0.00000 0.00002 0.00001 0.00003 0.00000 75 5XZ 0.00024 0.00000 0.00000 0.00000 0.00000 76 5YZ -0.00044 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00014 0.00081 0.00036 0.00036 78 2S 0.00000 -0.00056 -0.00400 -0.00159 -0.00173 79 3S 0.00000 0.00014 0.00287 0.00082 0.00120 80 4S 0.00000 -0.00002 0.00470 0.00106 0.00207 81 5S 0.00000 0.00048 -0.00160 0.00072 0.00120 82 6S -0.00001 0.00179 -0.00069 0.00072 -0.00578 83 7PX 0.00000 0.00028 0.00003 0.00002 -0.00024 84 7PY 0.00000 0.00042 -0.00034 0.00057 -0.00132 85 7PZ -0.00414 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 -0.00076 -0.00048 -0.00047 0.00040 87 8PY 0.00000 0.00054 0.00185 -0.00039 0.00296 88 8PZ 0.02143 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00128 0.00118 0.00093 -0.00056 90 9PY 0.00000 -0.00160 -0.00335 0.00023 -0.00502 91 9PZ -0.04082 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00000 0.00107 0.00065 0.00076 0.00026 93 10PY 0.00000 -0.00168 -0.00225 0.00001 -0.00258 94 10PZ -0.04892 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00000 -0.00002 -0.00156 -0.00043 -0.00071 96 11YY 0.00000 -0.00034 -0.00202 -0.00075 -0.00070 97 11ZZ 0.00000 -0.00019 -0.00148 -0.00063 -0.00070 98 11XY 0.00000 -0.00013 -0.00050 -0.00007 0.00000 99 11XZ -0.00094 0.00000 0.00000 0.00000 0.00000 100 11YZ -0.00030 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 -0.00044 -0.00038 -0.00034 0.00053 102 12YY 0.00000 -0.00032 0.00012 -0.00033 0.00086 103 12ZZ 0.00000 -0.00014 -0.00082 -0.00010 0.00046 104 12XY 0.00000 -0.00019 0.00082 -0.00024 0.00017 105 12XZ 0.00217 0.00000 0.00000 0.00000 0.00000 106 12YZ -0.00034 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00046 0.00046 0.00031 0.00003 108 2S 0.00000 -0.00215 -0.00216 -0.00143 -0.00015 109 3S 0.00000 0.00133 0.00132 0.00090 0.00008 110 4S 0.00000 0.00195 0.00199 0.00132 0.00010 111 5S 0.00000 0.00024 0.00062 0.00009 -0.00005 112 6S 0.00000 0.00034 -0.00085 0.00032 0.00048 113 7PX 0.00000 0.00025 0.00020 0.00013 0.00013 114 7PY 0.00000 0.00002 0.00015 0.00020 -0.00005 115 7PZ -0.00095 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 -0.00019 -0.00007 -0.00025 -0.00021 117 8PY 0.00000 0.00018 -0.00012 -0.00014 0.00012 118 8PZ 0.00299 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00017 -0.00003 0.00043 0.00033 120 9PY 0.00000 -0.00040 0.00013 0.00012 -0.00022 121 9PZ -0.00538 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00016 -0.00018 0.00034 0.00023 123 10PY 0.00000 -0.00030 0.00000 0.00008 -0.00009 124 10PZ -0.00557 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 -0.00086 -0.00084 -0.00060 -0.00006 126 11YY 0.00000 -0.00093 -0.00093 -0.00064 -0.00009 127 11ZZ 0.00000 -0.00078 -0.00080 -0.00050 -0.00004 128 11XY 0.00000 0.00007 0.00004 0.00005 0.00001 129 11XZ -0.00001 0.00000 0.00000 0.00000 0.00000 130 11YZ -0.00022 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 -0.00024 -0.00010 -0.00019 -0.00006 132 12YY 0.00000 -0.00029 -0.00007 -0.00021 -0.00010 133 12ZZ 0.00000 -0.00027 -0.00008 -0.00021 -0.00008 134 12XY 0.00000 -0.00002 0.00000 0.00000 0.00003 135 12XZ 0.00010 0.00000 0.00000 0.00000 0.00000 136 12YZ 0.00009 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S -0.00131 0.00002 -0.00013 0.00005 0.00005 138 2S 0.00634 -0.00002 0.00052 -0.00018 -0.00026 139 2PX 0.00869 0.00046 -0.00002 -0.00009 0.00055 140 2PY -0.01052 0.00065 -0.00011 0.00046 -0.00100 141 2PZ -0.00405 0.00039 0.00030 -0.00003 -0.00055 142 3S -0.01517 0.00048 -0.00168 0.00098 0.00085 143 3PX -0.02553 -0.00039 0.00013 0.00091 -0.00108 144 3PY 0.02765 -0.00224 -0.00008 -0.00181 0.00235 145 3PZ 0.00898 -0.00061 -0.00006 0.00043 0.00113 146 4S -0.02511 -0.00022 0.00017 0.00036 0.00213 147 4PX -0.02252 -0.00025 0.00001 0.00041 0.00014 148 4PY 0.01376 -0.00113 0.00041 -0.00104 0.00042 149 4PZ 0.00733 -0.00014 -0.00008 0.00015 -0.00022 150 5XX 0.00080 -0.00004 0.00004 -0.00001 0.00009 151 5YY 0.00228 0.00001 0.00000 -0.00001 -0.00015 152 5ZZ -0.00119 0.00005 -0.00004 -0.00003 -0.00012 153 5XY -0.00290 0.00007 -0.00033 0.00009 0.00011 154 5XZ 0.00074 0.00010 -0.00033 0.00005 0.00017 155 5YZ 0.00049 0.00004 0.00032 -0.00001 -0.00030 156 8 Cl 1S 0.00131 0.00002 -0.00013 0.00005 0.00005 157 2S -0.00634 -0.00002 0.00052 -0.00018 -0.00026 158 2PX -0.00869 0.00046 -0.00002 -0.00009 0.00055 159 2PY 0.01052 0.00065 -0.00011 0.00046 -0.00100 160 2PZ -0.00405 -0.00039 -0.00030 0.00003 0.00055 161 3S 0.01518 0.00048 -0.00168 0.00098 0.00085 162 3PX 0.02553 -0.00039 0.00013 0.00091 -0.00108 163 3PY -0.02766 -0.00224 -0.00008 -0.00181 0.00235 164 3PZ 0.00897 0.00061 0.00006 -0.00043 -0.00113 165 4S 0.02511 -0.00022 0.00017 0.00036 0.00213 166 4PX 0.02252 -0.00025 0.00001 0.00041 0.00014 167 4PY -0.01377 -0.00113 0.00041 -0.00104 0.00042 168 4PZ 0.00733 0.00014 0.00008 -0.00015 0.00022 169 5XX -0.00080 -0.00004 0.00004 -0.00001 0.00009 170 5YY -0.00228 0.00001 0.00000 -0.00001 -0.00015 171 5ZZ 0.00119 0.00005 -0.00004 -0.00003 -0.00012 172 5XY 0.00290 0.00007 -0.00033 0.00009 0.00011 173 5XZ 0.00074 -0.00010 0.00033 -0.00005 -0.00017 174 5YZ 0.00049 -0.00004 -0.00032 0.00001 0.00030 56 57 58 59 60 56 5XZ 0.00003 57 5YZ -0.00013 0.00112 58 4 Cl 1S 0.00000 0.00000 2.16060 59 2S 0.00000 0.00000 -0.61775 2.38949 60 2PX 0.00000 0.00000 0.00048 -0.00224 2.11893 61 2PY 0.00000 0.00000 -0.00397 0.01830 0.00243 62 2PZ 0.00016 -0.00030 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.04671 -0.44152 0.00455 64 3PX 0.00000 0.00000 -0.00134 0.00676 -0.33912 65 3PY 0.00000 0.00000 0.01090 -0.05017 -0.00673 66 3PZ -0.00040 0.00075 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.07191 -0.29795 0.01023 68 4PX 0.00000 0.00000 0.00001 0.00107 -0.22391 69 4PY 0.00000 0.00000 0.00519 -0.02649 -0.00968 70 4PZ -0.00024 0.00045 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 0.02218 -0.02382 -0.00206 72 5YY 0.00000 0.00000 0.02392 -0.03192 0.00056 73 5ZZ 0.00000 0.00000 0.02224 -0.02408 0.00084 74 5XY 0.00000 0.00000 -0.00026 0.00113 0.01215 75 5XZ 0.00001 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00002 0.00022 0.00004 78 2S 0.00000 0.00000 -0.00003 -0.00123 -0.00003 79 3S 0.00000 0.00000 -0.00010 0.00122 -0.00028 80 4S 0.00000 0.00000 0.00006 0.00109 -0.00020 81 5S 0.00000 0.00000 0.00089 -0.00325 -0.00015 82 6S 0.00000 0.00000 -0.00287 0.01039 0.00162 83 7PX 0.00000 0.00000 0.00002 -0.00027 -0.00027 84 7PY 0.00000 0.00000 -0.00001 -0.00003 0.00025 85 7PZ 0.00023 0.00058 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 -0.00008 0.00053 0.00078 87 8PY 0.00000 0.00000 0.00002 -0.00006 -0.00082 88 8PZ -0.00073 -0.00125 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00000 0.00012 -0.00075 -0.00158 90 9PY 0.00000 0.00000 -0.00005 0.00023 0.00167 91 9PZ 0.00132 0.00215 0.00000 0.00000 0.00000 92 10PX 0.00000 0.00000 0.00041 -0.00188 -0.00068 93 10PY 0.00000 0.00000 0.00008 -0.00011 0.00047 94 10PZ 0.00123 0.00081 0.00000 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00008 -0.00081 0.00011 96 11YY 0.00000 0.00000 0.00006 -0.00080 0.00026 97 11ZZ 0.00000 0.00000 0.00009 -0.00076 0.00012 98 11XY 0.00000 0.00000 0.00001 0.00002 -0.00010 99 11XZ 0.00001 0.00005 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00004 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00052 -0.00197 0.00021 102 12YY 0.00000 0.00000 0.00058 -0.00226 -0.00015 103 12ZZ 0.00000 0.00000 0.00046 -0.00182 0.00019 104 12XY 0.00000 0.00000 -0.00001 0.00004 0.00020 105 12XZ -0.00006 -0.00010 0.00000 0.00000 0.00000 106 12YZ -0.00003 -0.00021 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00002 0.00012 0.00034 108 2S 0.00000 0.00000 0.00000 -0.00085 -0.00252 109 3S 0.00000 0.00000 -0.00017 0.00114 0.00317 110 4S 0.00000 0.00000 0.00004 0.00076 0.00725 111 5S 0.00000 0.00000 0.00016 -0.00040 0.00430 112 6S 0.00000 0.00000 -0.00042 -0.00020 -0.04319 113 7PX 0.00000 0.00000 -0.00010 0.00033 -0.00010 114 7PY 0.00000 0.00000 -0.00059 0.00227 -0.00342 115 7PZ -0.00005 0.00005 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00034 -0.00093 0.00073 117 8PY 0.00000 0.00000 0.00178 -0.00777 0.01030 118 8PZ 0.00009 -0.00021 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 -0.00050 0.00119 -0.00164 120 9PY 0.00000 0.00000 -0.00323 0.01444 -0.01860 121 9PZ -0.00014 0.00040 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00022 -0.00217 -0.00317 123 10PY 0.00000 0.00000 -0.00145 0.00729 -0.02499 124 10PZ -0.00014 0.00033 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00017 -0.00075 -0.00084 126 11YY 0.00000 0.00000 0.00015 -0.00098 -0.00234 127 11ZZ 0.00000 0.00000 0.00007 -0.00048 -0.00116 128 11XY 0.00000 0.00000 0.00009 -0.00053 -0.00007 129 11XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 130 11YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00042 -0.00158 0.00598 132 12YY 0.00000 0.00000 0.00029 -0.00074 0.00652 133 12ZZ 0.00000 0.00000 0.00043 -0.00143 0.00428 134 12XY 0.00000 0.00000 0.00003 -0.00001 0.00029 135 12XZ -0.00002 0.00004 0.00000 0.00000 0.00000 136 12YZ 0.00000 0.00003 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 -0.00006 -0.00004 0.00012 0.00085 138 2S 0.00005 0.00029 0.00012 -0.00032 -0.00388 139 2PX 0.00022 -0.00076 -0.00054 0.00198 0.00220 140 2PY -0.00088 0.00103 0.00106 -0.00466 -0.00713 141 2PZ -0.00037 0.00053 -0.00039 0.00162 0.00454 142 3S -0.00015 -0.00083 -0.00042 0.00153 0.00842 143 3PX -0.00070 0.00166 0.00138 -0.00558 -0.00585 144 3PY 0.00245 -0.00258 -0.00274 0.01258 0.01896 145 3PZ 0.00108 -0.00133 0.00091 -0.00364 -0.01234 146 4S 0.00001 -0.00178 0.00134 -0.00517 0.01593 147 4PX -0.00015 -0.00025 -0.00049 0.00212 -0.00629 148 4PY 0.00127 -0.00116 -0.00071 0.00386 0.01519 149 4PZ 0.00049 -0.00039 0.00013 -0.00032 -0.01104 150 5XX 0.00000 0.00011 -0.00006 0.00028 0.00073 151 5YY 0.00000 0.00010 0.00004 -0.00011 -0.00197 152 5ZZ -0.00002 -0.00004 -0.00008 0.00034 0.00054 153 5XY 0.00003 -0.00019 0.00000 -0.00007 0.00090 154 5XZ 0.00005 -0.00015 -0.00008 0.00033 -0.00050 155 5YZ -0.00008 0.00017 0.00012 -0.00060 0.00150 156 8 Cl 1S 0.00000 0.00006 -0.00004 0.00012 0.00085 157 2S -0.00005 -0.00029 0.00012 -0.00032 -0.00388 158 2PX -0.00022 0.00076 -0.00054 0.00198 0.00220 159 2PY 0.00088 -0.00103 0.00106 -0.00466 -0.00713 160 2PZ -0.00037 0.00053 0.00039 -0.00162 -0.00454 161 3S 0.00015 0.00083 -0.00042 0.00153 0.00842 162 3PX 0.00070 -0.00166 0.00138 -0.00558 -0.00586 163 3PY -0.00245 0.00258 -0.00274 0.01258 0.01896 164 3PZ 0.00108 -0.00133 -0.00091 0.00364 0.01234 165 4S -0.00001 0.00178 0.00134 -0.00517 0.01593 166 4PX 0.00015 0.00025 -0.00049 0.00213 -0.00629 167 4PY -0.00127 0.00116 -0.00071 0.00386 0.01519 168 4PZ 0.00049 -0.00039 -0.00013 0.00032 0.01104 169 5XX 0.00000 -0.00011 -0.00006 0.00028 0.00073 170 5YY 0.00000 -0.00010 0.00004 -0.00011 -0.00197 171 5ZZ 0.00002 0.00004 -0.00008 0.00034 0.00054 172 5XY -0.00003 0.00019 0.00000 -0.00007 0.00090 173 5XZ 0.00005 -0.00015 0.00008 -0.00033 0.00050 174 5YZ -0.00008 0.00017 -0.00012 0.00060 -0.00150 61 62 63 64 65 61 2PY 2.09615 62 2PZ 0.00000 2.11805 63 3S -0.04152 0.00000 1.20401 64 3PX -0.00672 0.00000 -0.01089 1.01777 65 3PY -0.27625 0.00000 0.10954 0.01793 0.84669 66 3PZ 0.00000 -0.33588 0.00000 0.00000 0.00000 67 4S -0.06251 0.00000 0.50942 -0.03473 0.16238 68 4PX -0.00886 0.00000 -0.00554 0.51941 0.02264 69 4PY -0.13891 0.00000 0.07173 0.02759 0.30765 70 4PZ 0.00000 -0.22778 0.00000 0.00000 0.00001 71 5XX -0.00542 0.00000 -0.01950 0.00620 0.01408 72 5YY 0.01711 0.00000 -0.00361 -0.00050 -0.04923 73 5ZZ -0.00522 0.00000 -0.01897 -0.00152 0.01359 74 5XY -0.00173 0.00000 -0.00216 -0.03176 0.00506 75 5XZ 0.00000 -0.00128 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.01231 0.00000 0.00000 0.00000 77 5 Br 1S 0.00002 0.00000 0.00060 -0.00022 -0.00005 78 2S -0.00012 0.00000 -0.00287 0.00098 0.00026 79 3S 0.00011 0.00000 0.00199 -0.00053 -0.00016 80 4S 0.00037 0.00000 0.00313 -0.00015 -0.00090 81 5S 0.00110 0.00000 0.00158 0.00209 -0.00270 82 6S -0.00460 0.00000 -0.00412 -0.01016 0.01146 83 7PX 0.00022 0.00000 -0.00006 0.00075 -0.00056 84 7PY 0.00028 0.00000 -0.00012 -0.00066 -0.00073 85 7PZ 0.00000 0.00048 0.00000 0.00000 0.00000 86 8PX -0.00067 0.00000 -0.00037 -0.00218 0.00166 87 8PY -0.00086 0.00000 0.00006 0.00221 0.00224 88 8PZ 0.00000 -0.00144 0.00000 0.00000 0.00000 89 9PX 0.00124 0.00000 0.00089 0.00421 -0.00304 90 9PY 0.00152 0.00000 0.00009 -0.00469 -0.00393 91 9PZ 0.00000 0.00259 0.00000 0.00000 0.00000 92 10PX 0.00122 0.00000 0.00106 0.00170 -0.00300 93 10PY 0.00185 0.00000 -0.00030 -0.00047 -0.00496 94 10PZ 0.00000 0.00280 0.00000 0.00000 0.00000 95 11XX -0.00001 0.00000 -0.00115 0.00058 -0.00008 96 11YY -0.00004 0.00000 -0.00141 0.00017 0.00002 97 11ZZ -0.00010 0.00000 -0.00099 0.00056 0.00015 98 11XY -0.00003 0.00000 0.00014 0.00030 0.00006 99 11XZ 0.00000 -0.00010 0.00000 0.00000 0.00000 100 11YZ 0.00000 -0.00004 0.00000 0.00000 0.00000 101 12XX 0.00059 0.00000 0.00028 0.00128 -0.00165 102 12YY 0.00057 0.00000 0.00045 0.00202 -0.00154 103 12ZZ 0.00077 0.00000 0.00016 0.00196 -0.00206 104 12XY 0.00012 0.00000 0.00011 -0.00040 -0.00024 105 12XZ 0.00000 0.00014 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00006 0.00000 0.00000 0.00000 107 6 Br 1S 0.00067 0.00000 0.00015 -0.00034 -0.00154 108 2S -0.00436 0.00000 -0.00070 0.00319 0.01014 109 3S 0.00504 0.00000 0.00039 -0.00437 -0.01177 110 4S 0.00953 0.00000 0.00087 -0.01570 -0.02284 111 5S -0.01371 0.00000 -0.00156 -0.02067 0.02834 112 6S 0.00726 0.00000 0.01149 0.14287 -0.00206 113 7PX -0.00299 0.00000 -0.00138 0.00014 0.00782 114 7PY -0.00607 0.00000 -0.00668 0.00924 0.01586 115 7PZ 0.00000 0.00247 0.00000 0.00000 0.00000 116 8PX 0.00913 0.00000 0.00482 -0.00252 -0.02351 117 8PY 0.01901 0.00000 0.01870 -0.02687 -0.05009 118 8PZ 0.00000 -0.00708 0.00000 0.00000 0.00000 119 9PX -0.01698 0.00000 -0.00826 0.00679 0.04338 120 9PY -0.03539 0.00000 -0.03234 0.04730 0.09383 121 9PZ 0.00000 0.01213 0.00000 0.00000 0.00000 122 10PX -0.00544 0.00000 0.00189 0.00585 0.01759 123 10PY -0.02817 0.00000 -0.02075 0.07042 0.07494 124 10PZ 0.00000 0.01810 0.00000 0.00000 0.00000 125 11XX -0.00156 0.00000 0.00031 -0.00045 0.00341 126 11YY -0.00329 0.00000 -0.00012 0.00359 0.00769 127 11ZZ -0.00200 0.00000 -0.00086 0.00050 0.00458 128 11XY -0.00047 0.00000 0.00100 0.00010 0.00102 129 11XZ 0.00000 0.00028 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00070 0.00000 0.00000 0.00000 131 12XX -0.00173 0.00000 0.00061 -0.02229 0.00179 132 12YY -0.00025 0.00000 -0.00223 -0.02255 -0.00142 133 12ZZ -0.00314 0.00000 0.00043 -0.01738 0.00568 134 12XY 0.00226 0.00000 -0.00148 -0.00042 -0.00448 135 12XZ 0.00000 0.00032 0.00000 0.00000 0.00000 136 12YZ 0.00000 -0.00120 0.00000 0.00000 0.00000 137 7 Cl 1S -0.00107 0.00112 -0.00045 -0.00222 0.00261 138 2S 0.00434 -0.00515 0.00177 0.01065 -0.01060 139 2PX -0.00745 0.00516 -0.00640 -0.00587 0.01911 140 2PY 0.00811 -0.00640 0.01103 0.01879 -0.02138 141 2PZ -0.00603 0.00243 -0.00451 -0.01180 0.01543 142 3S -0.01231 0.01150 -0.00240 -0.02070 0.03020 143 3PX 0.01979 -0.01360 0.01463 0.01496 -0.05072 144 3PY -0.02172 0.01772 -0.02645 -0.04969 0.05821 145 3PZ 0.01612 -0.00698 0.01132 0.03212 -0.04205 146 4S -0.00070 0.01732 0.00464 -0.05170 0.00319 147 4PX 0.00851 -0.01320 0.00097 0.02092 -0.02349 148 4PY -0.01432 0.00991 -0.01278 -0.04291 0.03477 149 4PZ 0.00677 -0.00671 0.00233 0.03091 -0.01714 150 5XX 0.00042 -0.00079 -0.00017 -0.00124 -0.00059 151 5YY 0.00078 -0.00154 0.00044 0.00545 -0.00197 152 5ZZ -0.00113 0.00108 -0.00063 -0.00117 0.00325 153 5XY -0.00189 0.00205 0.00059 -0.00237 0.00479 154 5XZ 0.00056 0.00019 -0.00127 0.00107 -0.00100 155 5YZ -0.00095 0.00041 0.00166 -0.00362 0.00228 156 8 Cl 1S -0.00107 -0.00112 -0.00045 -0.00222 0.00261 157 2S 0.00434 0.00515 0.00177 0.01065 -0.01060 158 2PX -0.00745 -0.00516 -0.00640 -0.00587 0.01911 159 2PY 0.00811 0.00640 0.01103 0.01879 -0.02138 160 2PZ 0.00603 0.00243 0.00451 0.01180 -0.01543 161 3S -0.01231 -0.01149 -0.00240 -0.02070 0.03020 162 3PX 0.01979 0.01360 0.01463 0.01496 -0.05072 163 3PY -0.02172 -0.01772 -0.02645 -0.04969 0.05821 164 3PZ -0.01612 -0.00698 -0.01132 -0.03212 0.04205 165 4S -0.00070 -0.01732 0.00463 -0.05170 0.00319 166 4PX 0.00851 0.01320 0.00097 0.02092 -0.02350 167 4PY -0.01432 -0.00991 -0.01278 -0.04291 0.03477 168 4PZ -0.00677 -0.00671 -0.00233 -0.03091 0.01714 169 5XX 0.00042 0.00080 -0.00017 -0.00124 -0.00059 170 5YY 0.00078 0.00154 0.00044 0.00545 -0.00197 171 5ZZ -0.00113 -0.00108 -0.00063 -0.00117 0.00325 172 5XY -0.00189 -0.00205 0.00059 -0.00237 0.00479 173 5XZ -0.00056 0.00019 0.00127 -0.00107 0.00100 174 5YZ 0.00095 0.00041 -0.00166 0.00362 -0.00228 66 67 68 69 70 66 3PZ 1.00481 67 4S -0.00001 0.24557 68 4PX 0.00000 -0.01610 0.26788 69 4PY 0.00001 0.06892 0.01910 0.11505 70 4PZ 0.53476 0.00000 0.00000 0.00000 0.28695 71 5XX 0.00000 -0.00477 0.00341 0.00465 0.00000 72 5YY 0.00000 -0.00709 -0.00091 -0.01747 0.00000 73 5ZZ 0.00000 -0.00422 -0.00056 0.00427 0.00000 74 5XY 0.00000 0.00076 -0.01585 0.00106 0.00000 75 5XZ 0.00339 0.00000 0.00000 0.00000 0.00183 76 5YZ -0.03245 0.00000 0.00000 0.00000 -0.01713 77 5 Br 1S 0.00000 -0.00562 0.00012 0.00056 0.00000 78 2S 0.00000 0.02696 -0.00065 -0.00271 0.00000 79 3S 0.00000 -0.01830 0.00055 0.00188 0.00000 80 4S 0.00000 -0.02767 0.00124 0.00274 0.00000 81 5S 0.00000 -0.00182 0.00069 -0.00012 0.00000 82 6S 0.00000 0.00437 -0.00515 0.00073 0.00000 83 7PX 0.00000 0.00394 0.00061 -0.00103 0.00000 84 7PY 0.00000 0.00074 -0.00056 -0.00040 0.00000 85 7PZ -0.00125 0.00000 0.00000 0.00000 -0.00095 86 8PX 0.00000 -0.00463 -0.00001 0.00175 0.00000 87 8PY 0.00000 -0.00021 0.00078 0.00141 0.00000 88 8PZ 0.00365 0.00000 0.00000 0.00000 0.00299 89 9PX 0.00000 0.00557 -0.00059 -0.00265 0.00000 90 9PY 0.00000 -0.00038 -0.00135 -0.00259 0.00000 91 9PZ -0.00644 0.00000 0.00000 0.00000 -0.00538 92 10PX 0.00000 0.00305 -0.00122 -0.00152 0.00000 93 10PY 0.00000 -0.00152 0.00054 -0.00228 0.00000 94 10PZ -0.00716 0.00000 0.00000 0.00000 -0.00558 95 11XX 0.00000 0.01101 -0.00025 -0.00110 0.00000 96 11YY 0.00000 0.01245 0.00028 -0.00152 0.00000 97 11ZZ 0.00000 0.01008 -0.00078 -0.00080 0.00000 98 11XY 0.00000 -0.00077 -0.00037 0.00024 0.00000 99 11XZ 0.00027 0.00000 0.00000 0.00000 0.00001 100 11YZ 0.00011 0.00000 0.00000 0.00000 0.00022 101 12XX 0.00000 0.00238 0.00056 -0.00044 0.00000 102 12YY 0.00000 0.00283 0.00080 -0.00039 0.00000 103 12ZZ 0.00000 0.00254 0.00085 -0.00064 0.00000 104 12XY 0.00000 0.00006 -0.00022 -0.00010 0.00000 105 12XZ -0.00028 0.00000 0.00000 0.00000 -0.00010 106 12YZ -0.00032 0.00000 0.00000 0.00000 -0.00009 107 6 Br 1S 0.00000 -0.00375 -0.00525 -0.00242 0.00000 108 2S 0.00000 0.01945 0.02658 0.01216 0.00000 109 3S 0.00000 -0.01586 -0.02024 -0.00922 0.00000 110 4S 0.00000 -0.02503 -0.03563 -0.01525 0.00000 111 5S 0.00000 0.01387 -0.00513 0.00612 0.00000 112 6S 0.00001 -0.00732 0.06733 -0.00005 0.00001 113 7PX 0.00000 0.00546 0.00204 -0.00002 0.00000 114 7PY 0.00000 -0.00041 0.00513 0.00749 0.00000 115 7PZ -0.00651 0.00000 0.00000 0.00000 -0.00414 116 8PX 0.00000 -0.01936 -0.00052 -0.00439 0.00000 117 8PY 0.00000 0.01826 -0.02401 -0.02654 0.00000 118 8PZ 0.01723 0.00000 0.00000 0.00000 0.02143 119 9PX 0.00000 0.03651 -0.00078 0.00999 0.00000 120 9PY 0.00000 -0.03943 0.04630 0.05027 0.00000 121 9PZ -0.02740 0.00001 0.00000 0.00000 -0.04082 122 10PX 0.00000 0.02756 -0.00275 0.00160 0.00000 123 10PY 0.00000 -0.03214 0.05203 0.04067 0.00000 124 10PZ -0.05131 0.00000 0.00000 0.00000 -0.04892 125 11XX 0.00000 0.00592 0.01179 0.00507 0.00000 126 11YY 0.00000 0.01227 0.01095 0.00563 0.00000 127 11ZZ 0.00000 0.00806 0.01094 0.00496 0.00000 128 11XY 0.00000 0.00279 -0.00025 -0.00059 0.00000 129 11XZ -0.00071 0.00000 0.00000 0.00000 0.00094 130 11YZ -0.00182 0.00000 0.00000 0.00000 0.00030 131 12XX 0.00000 0.00794 -0.00779 0.00064 0.00000 132 12YY 0.00000 0.00164 -0.00655 0.00069 0.00000 133 12ZZ 0.00000 0.00540 -0.00485 0.00251 0.00000 134 12XY 0.00000 -0.00167 0.00044 -0.00099 0.00000 135 12XZ -0.00178 0.00000 0.00000 0.00000 -0.00217 136 12YZ 0.00237 0.00000 0.00000 0.00000 0.00034 137 7 Cl 1S -0.00291 0.00140 -0.00040 0.00056 -0.00131 138 2S 0.01355 -0.00542 0.00233 -0.00224 0.00634 139 2PX -0.01351 0.00696 -0.00153 0.00594 -0.00869 140 2PY 0.01720 0.00899 0.01261 -0.01323 0.01052 141 2PZ -0.00661 0.00236 -0.00843 0.00553 -0.00405 142 3S -0.02894 0.00753 -0.00656 0.00869 -0.01518 143 3PX 0.03477 -0.00751 0.00805 -0.02043 0.02554 144 3PY -0.04829 -0.03566 -0.03583 0.03591 -0.02765 145 3PZ 0.01983 -0.00821 0.02272 -0.01360 0.00898 146 4S -0.05031 0.00193 -0.02339 0.00048 -0.02511 147 4PX 0.03801 -0.00536 0.01005 -0.00923 0.02252 148 4PY -0.02545 -0.01512 -0.02650 0.01922 -0.01376 149 4PZ 0.01544 -0.00358 0.01802 -0.00560 0.00733 150 5XX 0.00199 -0.00003 -0.00053 -0.00023 0.00080 151 5YY 0.00417 -0.00042 0.00285 -0.00059 0.00228 152 5ZZ -0.00247 0.00074 -0.00102 0.00105 -0.00119 153 5XY -0.00536 0.00115 -0.00120 0.00160 -0.00290 154 5XZ -0.00062 -0.00023 0.00033 -0.00012 -0.00074 155 5YZ -0.00107 0.00256 -0.00142 0.00009 -0.00049 156 8 Cl 1S 0.00291 0.00140 -0.00040 0.00056 0.00131 157 2S -0.01355 -0.00542 0.00233 -0.00224 -0.00634 158 2PX 0.01351 0.00696 -0.00153 0.00594 0.00869 159 2PY -0.01720 0.00899 0.01261 -0.01323 -0.01052 160 2PZ -0.00661 -0.00236 0.00843 -0.00553 -0.00405 161 3S 0.02893 0.00753 -0.00656 0.00869 0.01518 162 3PX -0.03477 -0.00750 0.00805 -0.02043 -0.02554 163 3PY 0.04828 -0.03566 -0.03583 0.03590 0.02765 164 3PZ 0.01983 0.00821 -0.02272 0.01360 0.00897 165 4S 0.05031 0.00193 -0.02339 0.00048 0.02511 166 4PX -0.03801 -0.00535 0.01005 -0.00923 -0.02252 167 4PY 0.02545 -0.01512 -0.02650 0.01922 0.01376 168 4PZ 0.01544 0.00358 -0.01802 0.00560 0.00733 169 5XX -0.00199 -0.00003 -0.00053 -0.00023 -0.00080 170 5YY -0.00417 -0.00042 0.00285 -0.00059 -0.00228 171 5ZZ 0.00247 0.00074 -0.00102 0.00106 0.00119 172 5XY 0.00536 0.00115 -0.00120 0.00160 0.00290 173 5XZ -0.00062 0.00023 -0.00033 0.00012 -0.00074 174 5YZ -0.00107 -0.00256 0.00142 -0.00009 -0.00049 71 72 73 74 75 71 5XX 0.00120 72 5YY -0.00032 0.00374 73 5ZZ 0.00114 -0.00032 0.00114 74 5XY -0.00006 -0.00031 0.00017 0.00115 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00003 76 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00013 77 5 Br 1S 0.00046 0.00046 0.00031 0.00003 0.00000 78 2S -0.00215 -0.00217 -0.00144 -0.00015 0.00000 79 3S 0.00133 0.00132 0.00090 0.00008 0.00000 80 4S 0.00195 0.00199 0.00132 0.00010 0.00000 81 5S 0.00024 0.00062 0.00009 -0.00005 0.00000 82 6S 0.00034 -0.00085 0.00032 0.00048 0.00000 83 7PX -0.00025 -0.00020 -0.00013 -0.00013 0.00000 84 7PY -0.00002 -0.00015 -0.00020 0.00005 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00005 86 8PX 0.00019 0.00007 0.00025 0.00021 0.00000 87 8PY -0.00018 0.00012 0.00014 -0.00012 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 89 9PX -0.00017 0.00003 -0.00043 -0.00033 0.00000 90 9PY 0.00040 -0.00013 -0.00012 0.00022 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00014 92 10PX -0.00016 0.00018 -0.00034 -0.00023 0.00000 93 10PY 0.00030 0.00000 -0.00008 0.00009 0.00000 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00014 95 11XX -0.00086 -0.00084 -0.00060 -0.00006 0.00000 96 11YY -0.00094 -0.00093 -0.00064 -0.00009 0.00000 97 11ZZ -0.00079 -0.00080 -0.00050 -0.00004 0.00000 98 11XY 0.00007 0.00004 0.00005 0.00001 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX -0.00024 -0.00010 -0.00019 -0.00006 0.00000 102 12YY -0.00029 -0.00007 -0.00021 -0.00010 0.00000 103 12ZZ -0.00027 -0.00008 -0.00021 -0.00008 0.00000 104 12XY -0.00002 0.00000 0.00000 0.00003 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 -0.00002 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00014 0.00081 0.00036 0.00036 0.00000 108 2S -0.00056 -0.00400 -0.00159 -0.00173 0.00000 109 3S 0.00014 0.00287 0.00082 0.00120 0.00000 110 4S -0.00002 0.00470 0.00106 0.00207 0.00000 111 5S 0.00048 -0.00160 0.00072 0.00120 0.00000 112 6S 0.00179 -0.00069 0.00072 -0.00578 0.00000 113 7PX -0.00028 -0.00003 -0.00002 0.00024 0.00000 114 7PY -0.00042 0.00034 -0.00057 0.00132 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00023 116 8PX 0.00076 0.00048 0.00047 -0.00040 0.00000 117 8PY -0.00053 -0.00185 0.00039 -0.00296 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00073 119 9PX -0.00128 -0.00118 -0.00093 0.00056 0.00000 120 9PY 0.00160 0.00335 -0.00023 0.00502 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00132 122 10PX -0.00107 -0.00065 -0.00076 -0.00026 0.00000 123 10PY 0.00168 0.00225 -0.00001 0.00258 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00123 125 11XX -0.00002 -0.00156 -0.00043 -0.00071 0.00000 126 11YY -0.00034 -0.00202 -0.00075 -0.00070 0.00000 127 11ZZ -0.00019 -0.00148 -0.00063 -0.00070 0.00000 128 11XY -0.00012 -0.00050 -0.00006 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00001 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX -0.00044 -0.00038 -0.00034 0.00053 0.00000 132 12YY -0.00032 0.00012 -0.00033 0.00086 0.00000 133 12ZZ -0.00014 -0.00082 -0.00010 0.00046 0.00000 134 12XY -0.00019 0.00082 -0.00024 0.00017 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 -0.00006 136 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 137 7 Cl 1S 0.00002 -0.00013 0.00005 0.00005 0.00000 138 2S -0.00002 0.00052 -0.00018 -0.00026 -0.00005 139 2PX -0.00046 0.00002 0.00009 -0.00055 0.00022 140 2PY -0.00065 0.00011 -0.00046 0.00100 -0.00088 141 2PZ 0.00039 0.00030 -0.00003 -0.00055 0.00037 142 3S 0.00048 -0.00168 0.00098 0.00085 0.00015 143 3PX 0.00039 -0.00013 -0.00091 0.00108 -0.00070 144 3PY 0.00224 0.00008 0.00181 -0.00235 0.00245 145 3PZ -0.00061 -0.00006 0.00043 0.00113 -0.00108 146 4S -0.00022 0.00017 0.00036 0.00213 -0.00001 147 4PX 0.00025 -0.00001 -0.00041 -0.00014 -0.00015 148 4PY 0.00113 -0.00041 0.00104 -0.00042 0.00127 149 4PZ -0.00014 -0.00008 0.00015 -0.00022 -0.00049 150 5XX -0.00004 0.00004 -0.00001 0.00009 0.00000 151 5YY 0.00001 0.00000 -0.00001 -0.00015 0.00000 152 5ZZ 0.00005 -0.00004 -0.00003 -0.00012 0.00002 153 5XY 0.00007 -0.00033 0.00009 0.00011 -0.00003 154 5XZ -0.00010 0.00033 -0.00005 -0.00017 0.00005 155 5YZ -0.00004 -0.00032 0.00001 0.00030 -0.00008 156 8 Cl 1S 0.00002 -0.00013 0.00005 0.00005 0.00000 157 2S -0.00002 0.00052 -0.00018 -0.00026 0.00005 158 2PX -0.00046 0.00002 0.00009 -0.00055 -0.00022 159 2PY -0.00065 0.00011 -0.00046 0.00100 0.00088 160 2PZ -0.00039 -0.00030 0.00003 0.00055 0.00037 161 3S 0.00048 -0.00168 0.00098 0.00085 -0.00015 162 3PX 0.00039 -0.00013 -0.00091 0.00108 0.00070 163 3PY 0.00224 0.00008 0.00181 -0.00235 -0.00245 164 3PZ 0.00061 0.00006 -0.00043 -0.00113 -0.00108 165 4S -0.00022 0.00017 0.00036 0.00213 0.00001 166 4PX 0.00025 -0.00001 -0.00041 -0.00014 0.00015 167 4PY 0.00113 -0.00041 0.00104 -0.00042 -0.00127 168 4PZ 0.00014 0.00008 -0.00015 0.00022 -0.00049 169 5XX -0.00004 0.00004 -0.00001 0.00009 0.00000 170 5YY 0.00001 0.00000 -0.00001 -0.00015 0.00000 171 5ZZ 0.00005 -0.00004 -0.00003 -0.00012 -0.00002 172 5XY 0.00007 -0.00033 0.00009 0.00011 0.00003 173 5XZ 0.00010 -0.00033 0.00005 0.00017 0.00005 174 5YZ 0.00004 0.00032 -0.00001 -0.00030 -0.00008 76 77 78 79 80 76 5YZ 0.00112 77 5 Br 1S 0.00000 2.39615 78 2S 0.00000 -1.27293 4.75259 79 3S 0.00000 0.48905 -2.59637 2.01410 80 4S 0.00000 0.74723 -3.79644 2.98758 4.46558 81 5S 0.00000 0.14013 -0.52232 0.07436 -0.07080 82 6S 0.00000 0.23071 -1.00703 0.49781 0.61995 83 7PX 0.00000 -0.00008 0.00688 -0.01548 -0.01559 84 7PY 0.00000 -0.00018 0.00508 -0.01056 -0.01133 85 7PZ -0.00005 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00147 -0.01218 0.01848 0.02936 87 8PY 0.00000 0.00130 -0.01016 0.01476 0.02340 88 8PZ 0.00021 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00035 0.00598 -0.01808 -0.04222 90 9PY 0.00000 -0.00054 0.00869 -0.01713 -0.03602 91 9PZ -0.00040 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00000 -0.01897 0.09855 -0.08068 -0.13321 93 10PY 0.00000 -0.01216 0.06462 -0.05547 -0.09184 94 10PZ -0.00033 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00000 -0.39295 1.82406 -1.13382 -1.66657 96 11YY 0.00000 -0.39292 1.82421 -1.13441 -1.66728 97 11ZZ 0.00000 -0.39309 1.82519 -1.13531 -1.66938 98 11XY 0.00000 0.00017 -0.00122 0.00142 0.00294 99 11XZ -0.00001 0.00000 0.00000 0.00000 0.00000 100 11YZ -0.00001 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 -0.12498 0.59411 -0.39181 -0.57984 102 12YY 0.00000 -0.12553 0.59599 -0.39167 -0.57894 103 12ZZ 0.00000 -0.12496 0.59241 -0.38773 -0.57230 104 12XY 0.00000 -0.00034 0.00313 -0.00493 -0.00888 105 12XZ 0.00004 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00003 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 -0.00011 -0.00007 0.00125 0.00013 108 2S 0.00000 -0.00007 0.00390 -0.00796 -0.00399 109 3S 0.00000 0.00125 -0.00796 0.00686 0.00523 110 4S 0.00000 0.00013 -0.00399 0.00523 0.00057 111 5S 0.00000 -0.00448 0.02042 -0.01357 -0.02120 112 6S 0.00000 0.01624 -0.07896 0.05353 0.07870 113 7PX 0.00000 0.00001 -0.00046 0.00098 0.00104 114 7PY 0.00000 -0.00002 -0.00015 0.00048 0.00047 115 7PZ -0.00058 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 -0.00011 0.00089 -0.00133 -0.00201 117 8PY 0.00000 0.00000 0.00002 0.00000 -0.00052 118 8PZ 0.00125 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 -0.00006 -0.00027 0.00134 0.00235 120 9PY 0.00000 -0.00017 0.00082 -0.00071 0.00028 121 9PZ -0.00215 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00192 -0.00992 0.00795 0.01223 123 10PY 0.00000 0.00095 -0.00443 0.00266 0.00477 124 10PZ -0.00081 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 -0.00105 0.00710 -0.00547 -0.00484 126 11YY 0.00000 -0.00102 0.00698 -0.00544 -0.00473 127 11ZZ 0.00000 -0.00105 0.00709 -0.00539 -0.00484 128 11XY 0.00000 -0.00003 0.00015 -0.00007 -0.00022 129 11XZ 0.00005 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00004 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 -0.00329 0.01620 -0.01095 -0.01529 132 12YY 0.00000 -0.00356 0.01756 -0.01196 -0.01675 133 12ZZ 0.00000 -0.00333 0.01645 -0.01121 -0.01571 134 12XY 0.00000 0.00022 -0.00105 0.00070 0.00110 135 12XZ -0.00010 0.00000 0.00000 0.00000 0.00000 136 12YZ -0.00021 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00006 -0.00001 -0.00005 0.00018 0.00019 138 2S -0.00029 -0.00029 0.00161 -0.00151 -0.00208 139 2PX -0.00076 -0.00056 0.00394 -0.00497 -0.00895 140 2PY 0.00103 -0.00018 0.00131 -0.00168 -0.00321 141 2PZ -0.00053 0.00036 -0.00193 0.00161 0.00380 142 3S 0.00083 -0.00082 0.00375 -0.00224 -0.00314 143 3PX 0.00166 0.00111 -0.00814 0.01047 0.02118 144 3PY -0.00258 0.00033 -0.00253 0.00330 0.00750 145 3PZ 0.00133 -0.00112 0.00632 -0.00599 -0.01030 146 4S 0.00178 0.00591 -0.02796 0.01820 0.02699 147 4PX -0.00025 0.00504 -0.02516 0.01885 0.03026 148 4PY -0.00116 0.00181 -0.00975 0.00852 0.01462 149 4PZ 0.00039 -0.00021 0.00119 -0.00112 -0.00206 150 5XX -0.00011 0.00009 -0.00045 0.00036 0.00065 151 5YY -0.00010 -0.00050 0.00243 -0.00168 -0.00265 152 5ZZ 0.00004 -0.00019 0.00082 -0.00043 -0.00058 153 5XY 0.00019 0.00015 -0.00067 0.00037 0.00051 154 5XZ -0.00015 -0.00036 0.00192 -0.00163 -0.00285 155 5YZ 0.00017 -0.00011 0.00054 -0.00041 -0.00073 156 8 Cl 1S -0.00006 -0.00001 -0.00005 0.00018 0.00019 157 2S 0.00029 -0.00029 0.00161 -0.00151 -0.00208 158 2PX 0.00076 -0.00056 0.00394 -0.00497 -0.00895 159 2PY -0.00103 -0.00018 0.00131 -0.00168 -0.00321 160 2PZ -0.00053 -0.00036 0.00193 -0.00161 -0.00380 161 3S -0.00083 -0.00082 0.00375 -0.00224 -0.00314 162 3PX -0.00166 0.00111 -0.00814 0.01047 0.02118 163 3PY 0.00258 0.00033 -0.00253 0.00330 0.00750 164 3PZ 0.00133 0.00112 -0.00632 0.00599 0.01030 165 4S -0.00178 0.00591 -0.02796 0.01820 0.02699 166 4PX 0.00025 0.00504 -0.02516 0.01885 0.03026 167 4PY 0.00116 0.00181 -0.00976 0.00852 0.01462 168 4PZ 0.00039 0.00021 -0.00119 0.00112 0.00206 169 5XX 0.00011 0.00009 -0.00045 0.00037 0.00065 170 5YY 0.00010 -0.00050 0.00243 -0.00168 -0.00265 171 5ZZ -0.00004 -0.00019 0.00082 -0.00043 -0.00058 172 5XY -0.00019 0.00015 -0.00067 0.00037 0.00051 173 5XZ -0.00015 0.00036 -0.00192 0.00163 0.00285 174 5YZ 0.00017 0.00011 -0.00054 0.00041 0.00073 81 82 83 84 85 81 5S 1.01477 82 6S 0.64312 0.62911 83 7PX 0.01691 -0.03098 2.30243 84 7PY 0.00995 -0.01179 -0.00192 2.30346 85 7PZ 0.00000 0.00000 0.00000 0.00000 2.30488 86 8PX -0.02044 -0.06661 -0.85784 0.00584 0.00000 87 8PY -0.01909 -0.04189 0.00584 -0.86082 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 -0.86501 89 9PX 0.02317 0.17943 0.05233 -0.01148 0.00000 90 9PY 0.02907 0.10406 -0.01144 0.05894 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.06718 92 10PX 0.03489 0.10546 0.11334 -0.01687 0.00000 93 10PY 0.03883 0.05381 -0.01682 0.11734 0.00000 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.12998 95 11XX -0.15806 -0.36374 0.01395 0.00704 0.00000 96 11YY -0.15129 -0.37935 0.01058 0.00910 0.00000 97 11ZZ -0.14773 -0.38415 0.01018 0.00654 0.00000 98 11XY -0.00879 0.01623 0.00200 0.00225 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00170 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00138 101 12XX -0.02073 -0.12840 0.00643 0.01154 0.00000 102 12YY -0.02712 -0.12568 0.01768 0.00199 0.00000 103 12ZZ -0.03337 -0.12341 0.01575 0.00908 0.00000 104 12XY 0.01153 -0.00236 -0.00279 -0.00468 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 -0.00654 106 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00524 107 6 Br 1S -0.00448 0.01624 -0.00001 0.00002 0.00000 108 2S 0.02041 -0.07895 0.00046 0.00015 0.00000 109 3S -0.01357 0.05352 -0.00098 -0.00048 0.00000 110 4S -0.02120 0.07869 -0.00104 -0.00047 0.00000 111 5S 0.00111 -0.00181 0.00151 0.00039 0.00000 112 6S -0.00181 0.01798 -0.00277 -0.00165 0.00000 113 7PX -0.00151 0.00277 0.00027 0.00014 0.00000 114 7PY -0.00039 0.00165 0.00014 0.00004 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00027 116 8PX 0.00379 -0.00201 -0.00085 -0.00039 0.00000 117 8PY -0.00307 0.01084 -0.00040 -0.00014 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00086 119 9PX -0.00631 0.00182 0.00156 0.00079 0.00000 120 9PY 0.00729 -0.02551 0.00088 0.00019 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00161 122 10PX -0.00686 0.00398 0.00217 0.00004 0.00000 123 10PY 0.00615 -0.01705 0.00022 0.00040 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00161 125 11XX 0.00801 -0.03470 0.00075 0.00046 0.00000 126 11YY 0.00781 -0.03395 0.00069 0.00040 0.00000 127 11ZZ 0.00728 -0.03254 0.00073 0.00047 0.00000 128 11XY -0.00032 0.00131 -0.00001 0.00001 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00009 130 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 131 12XX 0.00174 -0.01184 0.00105 0.00032 0.00000 132 12YY 0.00279 -0.01393 0.00107 0.00056 0.00000 133 12ZZ 0.00238 -0.01246 0.00097 0.00033 0.00000 134 12XY 0.00032 -0.00114 0.00007 -0.00012 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00019 136 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 137 7 Cl 1S -0.00094 0.00259 0.00058 0.00009 -0.00046 138 2S 0.00382 -0.00985 -0.00212 -0.00034 0.00195 139 2PX 0.01165 -0.00209 -0.00510 -0.00138 0.00316 140 2PY -0.00275 0.02045 -0.00114 0.00092 0.00030 141 2PZ -0.00500 0.00360 0.00294 0.00047 -0.00081 142 3S -0.00331 0.00872 0.00694 0.00126 -0.00494 143 3PX -0.01835 -0.02971 0.01385 0.00352 -0.00866 144 3PY 0.00873 -0.05979 0.00298 -0.00250 -0.00084 145 3PZ 0.01659 -0.02445 -0.00782 -0.00103 0.00217 146 4S 0.00372 0.00204 -0.00212 -0.00292 -0.00465 147 4PX -0.00662 -0.00773 0.00436 0.00140 -0.00493 148 4PY -0.00112 -0.02598 0.00365 -0.00053 -0.00016 149 4PZ 0.00457 -0.00835 -0.00377 0.00008 0.00320 150 5XX 0.00024 -0.00216 -0.00080 -0.00061 0.00107 151 5YY 0.00016 0.00083 0.00090 0.00013 -0.00037 152 5ZZ -0.00118 0.00181 0.00089 0.00009 -0.00072 153 5XY 0.00051 -0.00041 -0.00066 0.00044 0.00015 154 5XZ 0.00114 0.00278 0.00100 -0.00006 -0.00009 155 5YZ -0.00073 0.00326 0.00035 -0.00011 -0.00013 156 8 Cl 1S -0.00094 0.00259 0.00058 0.00009 0.00046 157 2S 0.00382 -0.00985 -0.00212 -0.00034 -0.00195 158 2PX 0.01165 -0.00209 -0.00510 -0.00138 -0.00316 159 2PY -0.00275 0.02045 -0.00114 0.00092 -0.00030 160 2PZ 0.00500 -0.00360 -0.00294 -0.00047 -0.00081 161 3S -0.00331 0.00872 0.00694 0.00126 0.00494 162 3PX -0.01835 -0.02971 0.01385 0.00352 0.00866 163 3PY 0.00873 -0.05980 0.00298 -0.00250 0.00084 164 3PZ -0.01659 0.02444 0.00782 0.00103 0.00217 165 4S 0.00372 0.00204 -0.00212 -0.00292 0.00465 166 4PX -0.00662 -0.00774 0.00436 0.00140 0.00493 167 4PY -0.00112 -0.02599 0.00365 -0.00053 0.00016 168 4PZ -0.00457 0.00835 0.00376 -0.00008 0.00320 169 5XX 0.00024 -0.00216 -0.00080 -0.00061 -0.00107 170 5YY 0.00016 0.00083 0.00090 0.00013 0.00037 171 5ZZ -0.00118 0.00181 0.00089 0.00009 0.00072 172 5XY 0.00051 -0.00041 -0.00066 0.00044 -0.00015 173 5XZ -0.00114 -0.00278 -0.00100 0.00006 -0.00009 174 5YZ 0.00073 -0.00326 -0.00035 0.00011 -0.00013 86 87 88 89 90 86 8PX 2.44747 87 8PY -0.01760 2.45590 88 8PZ 0.00000 0.00000 2.46805 89 9PX -0.29688 0.03379 0.00000 0.64116 90 9PY 0.03331 -0.31290 0.00000 -0.06237 0.66905 91 9PZ 0.00000 0.00000 -0.33478 0.00000 0.00000 92 10PX -0.26939 0.05182 0.00000 0.45190 -0.09569 93 10PY 0.05561 -0.29564 0.00000 -0.10486 0.50534 94 10PZ 0.00000 0.00000 -0.34069 0.00000 0.00000 95 11XX -0.01471 -0.00510 0.00000 0.01805 0.00380 96 11YY -0.00526 -0.01074 0.00000 0.00031 0.01405 97 11ZZ -0.00370 -0.00329 0.00000 -0.00258 0.00023 98 11XY -0.00602 -0.00677 0.00000 0.01137 0.01262 99 11XZ 0.00000 0.00000 -0.00491 0.00000 0.00000 100 11YZ 0.00000 0.00000 -0.00399 0.00000 0.00000 101 12XX 0.01948 -0.00966 0.00000 -0.04967 0.00805 102 12YY -0.00886 0.01423 0.00000 -0.00041 -0.03316 103 12ZZ -0.00581 -0.00512 0.00000 -0.00482 0.00112 104 12XY 0.00843 0.01426 0.00000 -0.01540 -0.02599 105 12XZ 0.00000 0.00000 0.01796 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.01436 0.00000 0.00000 107 6 Br 1S 0.00011 0.00000 0.00000 0.00006 0.00017 108 2S -0.00089 -0.00002 0.00000 0.00027 -0.00082 109 3S 0.00133 0.00000 0.00000 -0.00134 0.00071 110 4S 0.00201 0.00052 0.00000 -0.00235 -0.00028 111 5S -0.00379 0.00307 0.00000 0.00631 -0.00728 112 6S 0.00201 -0.01084 0.00000 -0.00181 0.02550 113 7PX -0.00085 -0.00040 0.00000 0.00156 0.00088 114 7PY -0.00039 -0.00014 0.00000 0.00079 0.00019 115 7PZ 0.00000 0.00000 0.00086 0.00000 0.00000 116 8PX 0.00271 0.00108 0.00000 -0.00526 -0.00197 117 8PY 0.00108 0.00054 0.00000 -0.00156 -0.00101 118 8PZ 0.00000 0.00000 -0.00270 0.00000 0.00000 119 9PX -0.00526 -0.00156 0.00000 0.01047 0.00246 120 9PY -0.00197 -0.00101 0.00000 0.00247 0.00209 121 9PZ 0.00000 0.00000 0.00516 0.00000 0.00000 122 10PX -0.00456 -0.00419 0.00000 0.00796 0.00912 123 10PY -0.00255 -0.00079 0.00000 0.00468 0.00129 124 10PZ 0.00000 0.00000 0.00446 0.00000 0.00000 125 11XX -0.00069 0.00004 0.00000 0.00054 -0.00051 126 11YY -0.00044 0.00010 0.00000 0.00020 -0.00069 127 11ZZ -0.00066 -0.00001 0.00000 0.00051 -0.00040 128 11XY 0.00002 -0.00001 0.00000 -0.00005 0.00002 129 11XZ 0.00000 0.00000 0.00026 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00008 0.00000 0.00000 131 12XX -0.00102 0.00164 0.00000 0.00113 -0.00392 132 12YY -0.00168 0.00188 0.00000 0.00248 -0.00472 133 12ZZ -0.00069 0.00196 0.00000 0.00047 -0.00463 134 12XY -0.00021 0.00003 0.00000 0.00034 0.00008 135 12XZ 0.00000 0.00000 -0.00052 0.00000 0.00000 136 12YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 137 7 Cl 1S -0.00175 -0.00029 0.00139 0.00320 0.00040 138 2S 0.00740 0.00072 -0.00638 -0.01398 -0.00064 139 2PX 0.01564 0.00445 -0.00976 -0.02918 -0.00809 140 2PY 0.00369 -0.00280 -0.00123 -0.00663 0.00509 141 2PZ -0.00929 -0.00160 0.00277 0.01701 0.00295 142 3S -0.01909 -0.00450 0.01424 0.03351 0.00749 143 3PX -0.04171 -0.01202 0.02652 0.07674 0.02248 144 3PY -0.01005 0.00746 0.00416 0.01874 -0.01333 145 3PZ 0.02513 0.00410 -0.00808 -0.04670 -0.00816 146 4S -0.01458 0.01534 0.02370 0.03459 -0.03082 147 4PX -0.02675 -0.00007 0.01952 0.05415 -0.00164 148 4PY -0.00827 0.00229 -0.00387 0.01383 -0.00437 149 4PZ 0.01543 -0.00316 -0.00706 -0.02975 0.00675 150 5XX 0.00330 0.00088 -0.00369 -0.00619 -0.00124 151 5YY -0.00125 -0.00092 0.00079 0.00176 0.00181 152 5ZZ -0.00179 -0.00074 0.00140 0.00303 0.00151 153 5XY 0.00178 -0.00115 -0.00061 -0.00317 0.00200 154 5XZ -0.00221 0.00021 0.00016 0.00357 -0.00047 155 5YZ -0.00101 0.00031 0.00053 0.00184 -0.00052 156 8 Cl 1S -0.00175 -0.00029 -0.00139 0.00320 0.00040 157 2S 0.00740 0.00072 0.00638 -0.01398 -0.00064 158 2PX 0.01564 0.00445 0.00976 -0.02919 -0.00809 159 2PY 0.00369 -0.00280 0.00123 -0.00663 0.00509 160 2PZ 0.00929 0.00160 0.00277 -0.01701 -0.00295 161 3S -0.01909 -0.00450 -0.01424 0.03351 0.00749 162 3PX -0.04171 -0.01202 -0.02652 0.07675 0.02248 163 3PY -0.01005 0.00746 -0.00416 0.01875 -0.01333 164 3PZ -0.02513 -0.00410 -0.00808 0.04670 0.00816 165 4S -0.01458 0.01534 -0.02370 0.03459 -0.03083 166 4PX -0.02675 -0.00007 -0.01952 0.05415 -0.00164 167 4PY -0.00827 0.00229 0.00386 0.01383 -0.00437 168 4PZ -0.01543 0.00316 -0.00706 0.02974 -0.00675 169 5XX 0.00330 0.00088 0.00369 -0.00619 -0.00124 170 5YY -0.00125 -0.00092 -0.00079 0.00176 0.00181 171 5ZZ -0.00179 -0.00074 -0.00140 0.00303 0.00151 172 5XY 0.00178 -0.00115 0.00061 -0.00317 0.00200 173 5XZ 0.00221 -0.00021 0.00016 -0.00357 0.00047 174 5YZ 0.00101 -0.00031 0.00053 -0.00184 0.00052 91 92 93 94 95 91 9PZ 0.70635 92 10PX 0.00000 0.32999 93 10PY 0.00000 -0.11029 0.39285 94 10PZ 0.58880 0.00000 0.00000 0.49475 95 11XX 0.00000 0.04861 0.02647 0.00000 2.71483 96 11YY 0.00000 0.04202 0.03432 0.00000 -0.25784 97 11ZZ 0.00000 0.04126 0.02781 0.00000 -0.25763 98 11XY 0.00000 0.00262 0.00494 0.00000 -0.00094 99 11XZ 0.00888 0.00000 0.00000 0.00654 0.00000 100 11YZ 0.00726 0.00000 0.00000 0.00507 0.00000 101 12XX 0.00000 -0.01978 0.02111 0.00000 0.28534 102 12YY 0.00000 0.01783 -0.01440 0.00000 0.21953 103 12ZZ 0.00000 0.01176 0.01127 0.00000 0.21808 104 12XY 0.00000 -0.00835 -0.01765 0.00000 0.00292 105 12XZ -0.03168 0.00000 0.00000 -0.02655 0.00000 106 12YZ -0.02532 0.00000 0.00000 -0.02113 0.00000 107 6 Br 1S 0.00000 -0.00192 -0.00095 0.00000 -0.00105 108 2S 0.00000 0.00992 0.00443 0.00000 0.00710 109 3S 0.00000 -0.00795 -0.00266 0.00000 -0.00547 110 4S 0.00000 -0.01223 -0.00477 0.00000 -0.00484 111 5S 0.00000 0.00686 -0.00614 0.00000 0.00801 112 6S 0.00000 -0.00397 0.01705 0.00000 -0.03470 113 7PX 0.00000 0.00217 0.00022 0.00000 -0.00075 114 7PY 0.00000 0.00004 0.00040 0.00000 -0.00046 115 7PZ -0.00161 0.00000 0.00000 -0.00161 0.00000 116 8PX 0.00000 -0.00456 -0.00255 0.00000 0.00069 117 8PY 0.00000 -0.00419 -0.00079 0.00000 -0.00004 118 8PZ 0.00516 0.00000 0.00000 0.00446 0.00000 119 9PX 0.00000 0.00796 0.00468 0.00000 -0.00054 120 9PY 0.00000 0.00913 0.00129 0.00000 0.00051 121 9PZ -0.00993 0.00000 0.00000 -0.00830 0.00000 122 10PX 0.00000 0.00531 0.00859 0.00000 -0.00502 123 10PY 0.00000 0.00859 0.00018 0.00000 -0.00151 124 10PZ -0.00830 0.00000 0.00000 -0.00698 0.00000 125 11XX 0.00000 0.00502 0.00151 0.00000 0.00465 126 11YY 0.00000 0.00367 0.00197 0.00000 0.00461 127 11ZZ 0.00000 0.00484 0.00156 0.00000 0.00462 128 11XY 0.00000 -0.00008 -0.00021 0.00000 0.00004 129 11XZ -0.00048 0.00000 0.00000 -0.00039 0.00000 130 11YZ -0.00012 0.00000 0.00000 -0.00030 0.00000 131 12XX 0.00000 0.00243 -0.00208 0.00000 0.00730 132 12YY 0.00000 0.00401 -0.00290 0.00000 0.00798 133 12ZZ 0.00000 0.00208 -0.00265 0.00000 0.00740 134 12XY 0.00000 0.00059 0.00009 0.00000 -0.00043 135 12XZ 0.00092 0.00000 0.00000 0.00081 0.00000 136 12YZ 0.00008 0.00000 0.00000 0.00006 0.00000 137 7 Cl 1S -0.00258 0.00127 0.00025 -0.00185 -0.00008 138 2S 0.01196 -0.00579 -0.00029 0.00885 0.00051 139 2PX 0.01830 -0.02173 -0.00469 0.01693 0.00280 140 2PY 0.00245 -0.01241 0.00240 0.00211 0.00098 141 2PZ -0.00530 0.01246 -0.00150 -0.00462 -0.00102 142 3S -0.02558 0.01894 0.00417 -0.02101 0.00185 143 3PX -0.04950 0.06619 0.01304 -0.04723 -0.00560 144 3PY -0.00917 0.03073 -0.00726 -0.00422 -0.00187 145 3PZ 0.01632 -0.03216 0.00534 0.01083 0.00386 146 4S -0.04687 0.02441 -0.02377 -0.03763 -0.00746 147 4PX -0.03780 0.04364 -0.00427 -0.03320 -0.00949 148 4PY 0.00819 0.01785 -0.00327 0.00823 -0.00485 149 4PZ 0.01220 -0.02174 0.00994 0.00876 -0.00022 150 5XX 0.00680 -0.00422 -0.00019 0.00564 -0.00044 151 5YY -0.00130 0.00114 0.00121 -0.00122 0.00087 152 5ZZ -0.00230 0.00202 0.00035 -0.00178 0.00011 153 5XY 0.00116 -0.00234 0.00185 0.00112 -0.00028 154 5XZ -0.00020 0.00197 -0.00073 0.00016 0.00099 155 5YZ -0.00098 0.00076 -0.00086 -0.00103 0.00024 156 8 Cl 1S 0.00258 0.00127 0.00025 0.00185 -0.00008 157 2S -0.01196 -0.00578 -0.00029 -0.00885 0.00051 158 2PX -0.01830 -0.02173 -0.00469 -0.01693 0.00280 159 2PY -0.00245 -0.01241 0.00240 -0.00211 0.00098 160 2PZ -0.00530 -0.01246 0.00150 -0.00462 0.00102 161 3S 0.02559 0.01894 0.00417 0.02101 0.00185 162 3PX 0.04950 0.06619 0.01304 0.04723 -0.00560 163 3PY 0.00917 0.03074 -0.00726 0.00422 -0.00187 164 3PZ 0.01631 0.03216 -0.00534 0.01083 -0.00386 165 4S 0.04687 0.02441 -0.02377 0.03763 -0.00746 166 4PX 0.03780 0.04364 -0.00427 0.03321 -0.00948 167 4PY -0.00819 0.01786 -0.00327 -0.00822 -0.00486 168 4PZ 0.01219 0.02173 -0.00994 0.00875 0.00022 169 5XX -0.00680 -0.00422 -0.00019 -0.00564 -0.00044 170 5YY 0.00130 0.00114 0.00121 0.00122 0.00087 171 5ZZ 0.00230 0.00202 0.00035 0.00178 0.00011 172 5XY -0.00116 -0.00234 0.00185 -0.00112 -0.00028 173 5XZ -0.00020 -0.00197 0.00073 0.00016 -0.00099 174 5YZ -0.00098 -0.00076 0.00086 -0.00103 -0.00024 96 97 98 99 100 96 11YY 2.71560 97 11ZZ -0.25751 2.71676 98 11XY -0.00090 -0.00033 1.98204 99 11XZ 0.00000 0.00000 0.00000 1.98235 100 11YZ 0.00000 0.00000 0.00000 -0.00031 1.98248 101 12XX 0.22234 0.22439 -0.00313 0.00000 0.00000 102 12YY 0.28849 0.22539 -0.00353 0.00000 0.00000 103 12ZZ 0.22203 0.28776 -0.00546 0.00000 0.00000 104 12XY 0.00239 0.00056 0.04457 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.04303 0.00074 106 12YZ 0.00000 0.00000 0.00000 0.00073 0.04273 107 6 Br 1S -0.00102 -0.00105 -0.00003 0.00000 0.00000 108 2S 0.00698 0.00709 0.00015 0.00000 0.00000 109 3S -0.00544 -0.00539 -0.00007 0.00000 0.00000 110 4S -0.00473 -0.00484 -0.00022 0.00000 0.00000 111 5S 0.00781 0.00728 -0.00032 0.00000 0.00000 112 6S -0.03396 -0.03254 0.00131 0.00000 0.00000 113 7PX -0.00069 -0.00073 0.00001 0.00000 0.00000 114 7PY -0.00040 -0.00047 -0.00001 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00009 0.00002 116 8PX 0.00044 0.00067 -0.00002 0.00000 0.00000 117 8PY -0.00010 0.00001 0.00001 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 -0.00026 -0.00008 119 9PX -0.00020 -0.00051 0.00005 0.00000 0.00000 120 9PY 0.00069 0.00040 -0.00002 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00048 0.00012 122 10PX -0.00367 -0.00484 0.00008 0.00000 0.00000 123 10PY -0.00197 -0.00156 0.00021 0.00000 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00039 0.00030 125 11XX 0.00461 0.00462 0.00004 0.00000 0.00000 126 11YY 0.00462 0.00458 0.00003 0.00000 0.00000 127 11ZZ 0.00458 0.00455 0.00004 0.00000 0.00000 128 11XY 0.00003 0.00004 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 131 12XX 0.00736 0.00689 -0.00024 0.00000 0.00000 132 12YY 0.00780 0.00757 -0.00019 0.00000 0.00000 133 12ZZ 0.00744 0.00711 -0.00026 0.00000 0.00000 134 12XY -0.00040 -0.00045 0.00001 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00002 136 12YZ 0.00000 0.00000 0.00000 0.00002 0.00004 137 7 Cl 1S -0.00012 -0.00018 0.00009 -0.00001 -0.00001 138 2S 0.00098 0.00119 -0.00036 0.00008 0.00013 139 2PX 0.00166 0.00246 -0.00011 -0.00087 -0.00031 140 2PY 0.00059 0.00076 -0.00031 -0.00028 0.00014 141 2PZ -0.00045 -0.00057 0.00009 0.00032 0.00012 142 3S 0.00173 0.00083 0.00110 -0.00008 -0.00004 143 3PX -0.00272 -0.00491 0.00042 0.00222 0.00079 144 3PY -0.00082 -0.00124 0.00079 0.00071 -0.00039 145 3PZ 0.00246 0.00282 -0.00035 -0.00079 -0.00027 146 4S -0.01415 -0.01271 0.00030 -0.00150 -0.00179 147 4PX -0.01180 -0.01111 0.00107 0.00071 -0.00093 148 4PY -0.00381 -0.00466 -0.00013 0.00122 0.00037 149 4PZ 0.00128 0.00064 0.00000 -0.00069 -0.00003 150 5XX -0.00010 -0.00006 -0.00010 0.00009 0.00014 151 5YY 0.00117 0.00100 0.00008 0.00002 0.00009 152 5ZZ 0.00045 0.00037 0.00002 0.00006 0.00010 153 5XY -0.00025 -0.00026 0.00001 0.00000 0.00001 154 5XZ 0.00082 0.00078 0.00015 -0.00009 -0.00003 155 5YZ 0.00020 0.00024 -0.00004 -0.00001 0.00001 156 8 Cl 1S -0.00012 -0.00018 0.00009 0.00001 0.00001 157 2S 0.00098 0.00119 -0.00036 -0.00008 -0.00013 158 2PX 0.00166 0.00246 -0.00011 0.00087 0.00031 159 2PY 0.00059 0.00076 -0.00031 0.00028 -0.00014 160 2PZ 0.00045 0.00057 -0.00009 0.00032 0.00012 161 3S 0.00173 0.00083 0.00110 0.00008 0.00004 162 3PX -0.00272 -0.00491 0.00042 -0.00222 -0.00079 163 3PY -0.00082 -0.00124 0.00079 -0.00071 0.00039 164 3PZ -0.00246 -0.00282 0.00035 -0.00079 -0.00027 165 4S -0.01415 -0.01271 0.00030 0.00150 0.00179 166 4PX -0.01180 -0.01111 0.00107 -0.00071 0.00093 167 4PY -0.00381 -0.00466 -0.00013 -0.00122 -0.00037 168 4PZ -0.00128 -0.00064 0.00000 -0.00069 -0.00003 169 5XX -0.00010 -0.00006 -0.00010 -0.00009 -0.00014 170 5YY 0.00117 0.00100 0.00008 -0.00002 -0.00009 171 5ZZ 0.00045 0.00037 0.00002 -0.00006 -0.00010 172 5XY -0.00025 -0.00026 0.00001 0.00000 -0.00001 173 5XZ -0.00082 -0.00078 -0.00015 -0.00009 -0.00003 174 5YZ -0.00020 -0.00024 0.00004 -0.00001 0.00001 101 102 103 104 105 101 12XX 0.08878 102 12YY 0.08315 0.08657 103 12ZZ 0.08248 0.08224 0.08287 104 12XY 0.00249 0.00265 0.00086 0.00307 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00246 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00119 107 6 Br 1S -0.00329 -0.00356 -0.00333 0.00022 0.00000 108 2S 0.01620 0.01756 0.01645 -0.00105 0.00000 109 3S -0.01095 -0.01196 -0.01121 0.00070 0.00000 110 4S -0.01529 -0.01675 -0.01571 0.00110 0.00000 111 5S 0.00174 0.00279 0.00238 0.00032 0.00000 112 6S -0.01185 -0.01393 -0.01246 -0.00114 0.00000 113 7PX -0.00105 -0.00107 -0.00097 -0.00007 0.00000 114 7PY -0.00032 -0.00056 -0.00033 0.00012 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00019 116 8PX 0.00103 0.00168 0.00069 0.00021 0.00000 117 8PY -0.00164 -0.00188 -0.00196 -0.00003 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00052 119 9PX -0.00113 -0.00248 -0.00047 -0.00034 0.00000 120 9PY 0.00393 0.00473 0.00463 -0.00008 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00092 122 10PX -0.00244 -0.00401 -0.00208 -0.00059 0.00000 123 10PY 0.00208 0.00290 0.00265 -0.00009 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00081 125 11XX 0.00730 0.00798 0.00740 -0.00043 0.00000 126 11YY 0.00736 0.00780 0.00743 -0.00040 0.00000 127 11ZZ 0.00689 0.00757 0.00711 -0.00045 0.00000 128 11XY -0.00024 -0.00019 -0.00026 0.00001 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00002 131 12XX 0.00387 0.00434 0.00402 0.00003 0.00000 132 12YY 0.00434 0.00506 0.00460 0.00005 0.00000 133 12ZZ 0.00402 0.00460 0.00419 0.00007 0.00000 134 12XY 0.00003 0.00005 0.00007 -0.00003 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 -0.00005 136 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00006 137 7 Cl 1S -0.00042 -0.00033 -0.00036 -0.00004 0.00019 138 2S 0.00176 0.00134 0.00147 0.00009 -0.00075 139 2PX 0.00074 0.00205 0.00137 -0.00075 0.00098 140 2PY -0.00148 -0.00217 -0.00246 0.00143 0.00076 141 2PZ 0.00072 0.00022 -0.00089 0.00089 -0.00043 142 3S -0.00180 0.00035 0.00060 -0.00099 0.00164 143 3PX 0.00282 0.00099 0.00261 0.00112 -0.00289 144 3PY 0.00567 0.00678 0.00751 -0.00298 -0.00253 145 3PZ 0.00247 0.00319 0.00611 -0.00200 0.00156 146 4S -0.00542 -0.00081 -0.00270 0.00037 0.00232 147 4PX -0.00304 -0.00184 -0.00167 0.00027 -0.00068 148 4PY 0.00065 0.00134 0.00187 -0.00161 -0.00207 149 4PZ 0.00113 0.00001 0.00183 -0.00092 0.00052 150 5XX 0.00044 0.00010 0.00008 0.00020 -0.00033 151 5YY 0.00001 0.00013 0.00033 -0.00024 0.00009 152 5ZZ -0.00002 -0.00014 -0.00027 0.00009 0.00005 153 5XY 0.00016 -0.00019 0.00000 -0.00008 -0.00004 154 5XZ -0.00051 0.00009 0.00012 -0.00043 0.00021 155 5YZ -0.00040 -0.00025 -0.00037 0.00018 0.00009 156 8 Cl 1S -0.00042 -0.00033 -0.00036 -0.00004 -0.00019 157 2S 0.00176 0.00134 0.00147 0.00009 0.00075 158 2PX 0.00074 0.00205 0.00137 -0.00075 -0.00098 159 2PY -0.00148 -0.00217 -0.00246 0.00143 -0.00076 160 2PZ -0.00072 -0.00022 0.00089 -0.00089 -0.00043 161 3S -0.00180 0.00035 0.00060 -0.00099 -0.00164 162 3PX 0.00282 0.00099 0.00261 0.00112 0.00289 163 3PY 0.00567 0.00678 0.00751 -0.00298 0.00253 164 3PZ -0.00246 -0.00319 -0.00611 0.00200 0.00156 165 4S -0.00541 -0.00081 -0.00270 0.00037 -0.00232 166 4PX -0.00304 -0.00184 -0.00167 0.00027 0.00068 167 4PY 0.00065 0.00134 0.00187 -0.00161 0.00207 168 4PZ -0.00113 -0.00001 -0.00183 0.00092 0.00052 169 5XX 0.00044 0.00010 0.00008 0.00020 0.00033 170 5YY 0.00001 0.00013 0.00033 -0.00024 -0.00009 171 5ZZ -0.00002 -0.00014 -0.00027 0.00009 -0.00005 172 5XY 0.00016 -0.00019 0.00000 -0.00008 0.00004 173 5XZ 0.00051 -0.00009 -0.00012 0.00043 0.00021 174 5YZ 0.00040 0.00025 0.00037 -0.00018 0.00009 106 107 108 109 110 106 12YZ 0.00186 107 6 Br 1S 0.00000 2.39615 108 2S 0.00000 -1.27293 4.75259 109 3S 0.00000 0.48905 -2.59637 2.01410 110 4S 0.00000 0.74723 -3.79644 2.98758 4.46558 111 5S 0.00000 0.14013 -0.52232 0.07436 -0.07080 112 6S 0.00000 0.23071 -1.00703 0.49781 0.61995 113 7PX 0.00000 0.00008 -0.00688 0.01548 0.01559 114 7PY 0.00000 0.00018 -0.00508 0.01056 0.01133 115 7PZ 0.00003 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 -0.00147 0.01218 -0.01848 -0.02936 117 8PY 0.00000 -0.00130 0.01016 -0.01476 -0.02341 118 8PZ 0.00003 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 -0.00035 -0.00598 0.01807 0.04222 120 9PY 0.00000 0.00054 -0.00869 0.01713 0.03602 121 9PZ -0.00008 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.01897 -0.09855 0.08068 0.13320 123 10PY 0.00000 0.01216 -0.06463 0.05548 0.09185 124 10PZ -0.00006 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 -0.39295 1.82406 -1.13382 -1.66657 126 11YY 0.00000 -0.39292 1.82421 -1.13441 -1.66728 127 11ZZ 0.00000 -0.39309 1.82519 -1.13531 -1.66938 128 11XY 0.00000 0.00017 -0.00122 0.00142 0.00294 129 11XZ 0.00002 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00004 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 -0.12498 0.59411 -0.39181 -0.57983 132 12YY 0.00000 -0.12553 0.59599 -0.39167 -0.57894 133 12ZZ 0.00000 -0.12496 0.59241 -0.38773 -0.57230 134 12XY 0.00000 -0.00034 0.00313 -0.00493 -0.00888 135 12XZ -0.00006 0.00000 0.00000 0.00000 0.00000 136 12YZ -0.00002 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00005 -0.00001 -0.00005 0.00018 0.00019 138 2S -0.00033 -0.00029 0.00161 -0.00151 -0.00208 139 2PX -0.00018 0.00056 -0.00394 0.00497 0.00895 140 2PY -0.00064 0.00018 -0.00131 0.00168 0.00321 141 2PZ -0.00017 0.00036 -0.00193 0.00161 0.00380 142 3S 0.00119 -0.00082 0.00375 -0.00224 -0.00315 143 3PX 0.00133 -0.00111 0.00814 -0.01047 -0.02118 144 3PY 0.00140 -0.00033 0.00253 -0.00330 -0.00750 145 3PZ 0.00029 -0.00112 0.00632 -0.00599 -0.01030 146 4S 0.00192 0.00591 -0.02796 0.01820 0.02699 147 4PX 0.00124 -0.00504 0.02516 -0.01885 -0.03026 148 4PY 0.00026 -0.00182 0.00976 -0.00853 -0.01462 149 4PZ -0.00005 -0.00021 0.00119 -0.00112 -0.00206 150 5XX -0.00026 0.00009 -0.00045 0.00036 0.00065 151 5YY 0.00004 -0.00050 0.00243 -0.00169 -0.00265 152 5ZZ 0.00007 -0.00019 0.00082 -0.00043 -0.00058 153 5XY -0.00001 0.00015 -0.00067 0.00037 0.00051 154 5XZ 0.00004 0.00036 -0.00192 0.00163 0.00285 155 5YZ -0.00001 0.00011 -0.00054 0.00041 0.00073 156 8 Cl 1S -0.00005 -0.00001 -0.00005 0.00018 0.00019 157 2S 0.00033 -0.00029 0.00161 -0.00151 -0.00208 158 2PX 0.00018 0.00056 -0.00394 0.00497 0.00895 159 2PY 0.00064 0.00018 -0.00131 0.00168 0.00321 160 2PZ -0.00017 -0.00036 0.00193 -0.00161 -0.00380 161 3S -0.00119 -0.00082 0.00375 -0.00224 -0.00314 162 3PX -0.00133 -0.00111 0.00814 -0.01047 -0.02118 163 3PY -0.00140 -0.00033 0.00253 -0.00330 -0.00750 164 3PZ 0.00029 0.00112 -0.00632 0.00599 0.01030 165 4S -0.00192 0.00591 -0.02797 0.01820 0.02700 166 4PX -0.00124 -0.00504 0.02516 -0.01885 -0.03026 167 4PY -0.00026 -0.00181 0.00976 -0.00852 -0.01462 168 4PZ -0.00005 0.00021 -0.00119 0.00112 0.00206 169 5XX 0.00026 0.00009 -0.00045 0.00036 0.00065 170 5YY -0.00004 -0.00050 0.00243 -0.00168 -0.00265 171 5ZZ -0.00007 -0.00019 0.00082 -0.00043 -0.00058 172 5XY 0.00001 0.00015 -0.00067 0.00037 0.00051 173 5XZ 0.00004 -0.00036 0.00192 -0.00163 -0.00285 174 5YZ -0.00001 -0.00011 0.00054 -0.00041 -0.00073 111 112 113 114 115 111 5S 1.01477 112 6S 0.64312 0.62912 113 7PX -0.01691 0.03098 2.30243 114 7PY -0.00995 0.01179 -0.00192 2.30346 115 7PZ 0.00000 0.00000 0.00000 0.00000 2.30488 116 8PX 0.02044 0.06661 -0.85784 0.00584 0.00000 117 8PY 0.01909 0.04189 0.00584 -0.86082 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 -0.86501 119 9PX -0.02317 -0.17942 0.05234 -0.01148 0.00000 120 9PY -0.02907 -0.10408 -0.01144 0.05893 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.06718 122 10PX -0.03488 -0.10546 0.11334 -0.01687 0.00000 123 10PY -0.03884 -0.05382 -0.01682 0.11734 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.12998 125 11XX -0.15806 -0.36375 -0.01394 -0.00704 0.00000 126 11YY -0.15129 -0.37934 -0.01058 -0.00910 0.00000 127 11ZZ -0.14773 -0.38415 -0.01017 -0.00654 0.00000 128 11XY -0.00879 0.01624 -0.00200 -0.00225 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00170 130 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00138 131 12XX -0.02074 -0.12840 -0.00643 -0.01154 0.00000 132 12YY -0.02712 -0.12568 -0.01767 -0.00199 0.00000 133 12ZZ -0.03337 -0.12341 -0.01575 -0.00908 0.00000 134 12XY 0.01153 -0.00236 0.00279 0.00468 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00653 136 12YZ 0.00000 0.00000 0.00000 0.00000 0.00524 137 7 Cl 1S -0.00094 0.00260 -0.00058 -0.00009 -0.00046 138 2S 0.00382 -0.00985 0.00212 0.00034 0.00195 139 2PX -0.01165 0.00209 -0.00510 -0.00138 -0.00316 140 2PY 0.00275 -0.02045 -0.00114 0.00092 -0.00030 141 2PZ -0.00500 0.00360 -0.00294 -0.00047 -0.00081 142 3S -0.00331 0.00872 -0.00694 -0.00127 -0.00494 143 3PX 0.01834 0.02972 0.01385 0.00352 0.00866 144 3PY -0.00873 0.05980 0.00299 -0.00250 0.00084 145 3PZ 0.01659 -0.02445 0.00782 0.00103 0.00217 146 4S 0.00372 0.00205 0.00212 0.00292 -0.00465 147 4PX 0.00661 0.00774 0.00436 0.00140 0.00493 148 4PY 0.00112 0.02599 0.00365 -0.00053 0.00016 149 4PZ 0.00457 -0.00836 0.00376 -0.00007 0.00320 150 5XX 0.00024 -0.00216 0.00080 0.00062 0.00107 151 5YY 0.00016 0.00083 -0.00090 -0.00013 -0.00037 152 5ZZ -0.00118 0.00181 -0.00089 -0.00009 -0.00072 153 5XY 0.00051 -0.00041 0.00066 -0.00044 0.00015 154 5XZ -0.00114 -0.00278 0.00100 -0.00006 0.00009 155 5YZ 0.00073 -0.00326 0.00035 -0.00011 0.00013 156 8 Cl 1S -0.00094 0.00260 -0.00058 -0.00009 0.00046 157 2S 0.00382 -0.00985 0.00212 0.00034 -0.00195 158 2PX -0.01165 0.00209 -0.00510 -0.00138 0.00316 159 2PY 0.00275 -0.02044 -0.00114 0.00092 0.00030 160 2PZ 0.00500 -0.00360 0.00294 0.00047 -0.00081 161 3S -0.00331 0.00873 -0.00694 -0.00127 0.00494 162 3PX 0.01834 0.02972 0.01385 0.00352 -0.00866 163 3PY -0.00872 0.05979 0.00298 -0.00250 -0.00084 164 3PZ -0.01659 0.02445 -0.00782 -0.00103 0.00217 165 4S 0.00372 0.00205 0.00212 0.00292 0.00465 166 4PX 0.00661 0.00774 0.00436 0.00140 -0.00493 167 4PY 0.00112 0.02598 0.00365 -0.00053 -0.00016 168 4PZ -0.00457 0.00836 -0.00376 0.00007 0.00320 169 5XX 0.00024 -0.00216 0.00080 0.00061 -0.00107 170 5YY 0.00016 0.00083 -0.00090 -0.00013 0.00037 171 5ZZ -0.00118 0.00181 -0.00089 -0.00009 0.00072 172 5XY 0.00051 -0.00041 0.00066 -0.00044 -0.00015 173 5XZ 0.00114 0.00278 -0.00100 0.00006 0.00009 174 5YZ -0.00073 0.00326 -0.00035 0.00011 0.00013 116 117 118 119 120 116 8PX 2.44747 117 8PY -0.01760 2.45589 118 8PZ 0.00000 0.00000 2.46805 119 9PX -0.29689 0.03379 0.00000 0.64117 120 9PY 0.03331 -0.31289 0.00000 -0.06238 0.66903 121 9PZ 0.00000 0.00000 -0.33478 0.00000 0.00000 122 10PX -0.26941 0.05183 0.00000 0.45193 -0.09570 123 10PY 0.05561 -0.29562 0.00000 -0.10486 0.50531 124 10PZ 0.00000 0.00000 -0.34069 0.00000 0.00000 125 11XX 0.01471 0.00510 0.00000 -0.01805 -0.00380 126 11YY 0.00526 0.01074 0.00000 -0.00031 -0.01406 127 11ZZ 0.00370 0.00329 0.00000 0.00258 -0.00023 128 11XY 0.00602 0.00677 0.00000 -0.01137 -0.01262 129 11XZ 0.00000 0.00000 0.00491 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00399 0.00000 0.00000 131 12XX -0.01948 0.00966 0.00000 0.04967 -0.00805 132 12YY 0.00886 -0.01423 0.00000 0.00041 0.03317 133 12ZZ 0.00580 0.00512 0.00000 0.00482 -0.00112 134 12XY -0.00843 -0.01426 0.00000 0.01540 0.02598 135 12XZ 0.00000 0.00000 -0.01796 0.00000 0.00000 136 12YZ 0.00000 0.00000 -0.01436 0.00000 0.00000 137 7 Cl 1S 0.00175 0.00029 0.00139 -0.00320 -0.00040 138 2S -0.00740 -0.00072 -0.00638 0.01398 0.00065 139 2PX 0.01564 0.00446 0.00976 -0.02918 -0.00810 140 2PY 0.00370 -0.00280 0.00123 -0.00663 0.00509 141 2PZ 0.00929 0.00160 0.00277 -0.01701 -0.00295 142 3S 0.01909 0.00450 0.01424 -0.03351 -0.00750 143 3PX -0.04171 -0.01203 -0.02652 0.07674 0.02249 144 3PY -0.01006 0.00746 -0.00417 0.01876 -0.01333 145 3PZ -0.02513 -0.00411 -0.00808 0.04670 0.00817 146 4S 0.01458 -0.01534 0.02370 -0.03460 0.03083 147 4PX -0.02675 -0.00008 -0.01953 0.05415 -0.00163 148 4PY -0.00827 0.00229 0.00386 0.01384 -0.00437 149 4PZ -0.01543 0.00316 -0.00706 0.02975 -0.00674 150 5XX -0.00330 -0.00088 -0.00369 0.00619 0.00124 151 5YY 0.00125 0.00092 0.00079 -0.00176 -0.00181 152 5ZZ 0.00179 0.00074 0.00140 -0.00303 -0.00151 153 5XY -0.00179 0.00115 -0.00061 0.00317 -0.00200 154 5XZ -0.00221 0.00021 -0.00016 0.00357 -0.00047 155 5YZ -0.00101 0.00031 -0.00053 0.00184 -0.00051 156 8 Cl 1S 0.00175 0.00029 -0.00139 -0.00320 -0.00040 157 2S -0.00740 -0.00072 0.00638 0.01398 0.00065 158 2PX 0.01564 0.00446 -0.00976 -0.02918 -0.00810 159 2PY 0.00370 -0.00280 -0.00123 -0.00663 0.00509 160 2PZ -0.00929 -0.00160 0.00277 0.01701 0.00295 161 3S 0.01909 0.00450 -0.01424 -0.03351 -0.00750 162 3PX -0.04171 -0.01203 0.02652 0.07674 0.02249 163 3PY -0.01006 0.00746 0.00417 0.01875 -0.01333 164 3PZ 0.02513 0.00411 -0.00808 -0.04670 -0.00817 165 4S 0.01458 -0.01534 -0.02370 -0.03460 0.03082 166 4PX -0.02675 -0.00008 0.01952 0.05415 -0.00163 167 4PY -0.00827 0.00229 -0.00386 0.01384 -0.00437 168 4PZ 0.01543 -0.00316 -0.00706 -0.02975 0.00674 169 5XX -0.00330 -0.00088 0.00369 0.00619 0.00124 170 5YY 0.00125 0.00092 -0.00079 -0.00176 -0.00181 171 5ZZ 0.00179 0.00074 -0.00140 -0.00303 -0.00151 172 5XY -0.00179 0.00115 0.00061 0.00317 -0.00200 173 5XZ 0.00221 -0.00021 -0.00016 -0.00357 0.00047 174 5YZ 0.00101 -0.00031 -0.00053 -0.00184 0.00051 121 122 123 124 125 121 9PZ 0.70635 122 10PX 0.00000 0.33002 123 10PY 0.00000 -0.11029 0.39282 124 10PZ 0.58880 0.00000 0.00000 0.49475 125 11XX 0.00000 -0.04861 -0.02647 0.00000 2.71484 126 11YY 0.00000 -0.04202 -0.03432 0.00000 -0.25784 127 11ZZ 0.00000 -0.04125 -0.02781 0.00000 -0.25763 128 11XY 0.00000 -0.00262 -0.00494 0.00000 -0.00094 129 11XZ -0.00888 0.00000 0.00000 -0.00654 0.00000 130 11YZ -0.00726 0.00000 0.00000 -0.00507 0.00000 131 12XX 0.00000 0.01978 -0.02112 0.00000 0.28534 132 12YY 0.00000 -0.01783 0.01440 0.00000 0.21953 133 12ZZ 0.00000 -0.01176 -0.01127 0.00000 0.21808 134 12XY 0.00000 0.00835 0.01765 0.00000 0.00292 135 12XZ 0.03168 0.00000 0.00000 0.02655 0.00000 136 12YZ 0.02532 0.00000 0.00000 0.02113 0.00000 137 7 Cl 1S -0.00258 -0.00127 -0.00025 -0.00185 -0.00008 138 2S 0.01196 0.00578 0.00029 0.00885 0.00051 139 2PX -0.01831 -0.02173 -0.00469 -0.01693 -0.00280 140 2PY -0.00245 -0.01242 0.00240 -0.00211 -0.00098 141 2PZ -0.00530 -0.01246 0.00150 -0.00462 -0.00102 142 3S -0.02559 -0.01894 -0.00418 -0.02101 0.00185 143 3PX 0.04950 0.06619 0.01305 0.04724 0.00560 144 3PY 0.00918 0.03075 -0.00725 0.00423 0.00187 145 3PZ 0.01631 0.03216 -0.00533 0.01083 0.00386 146 4S -0.04687 -0.02441 0.02377 -0.03763 -0.00746 147 4PX 0.03781 0.04364 -0.00427 0.03321 0.00949 148 4PY -0.00818 0.01786 -0.00327 -0.00822 0.00486 149 4PZ 0.01219 0.02173 -0.00993 0.00875 -0.00022 150 5XX 0.00680 0.00422 0.00019 0.00564 -0.00044 151 5YY -0.00130 -0.00114 -0.00121 -0.00122 0.00087 152 5ZZ -0.00230 -0.00202 -0.00036 -0.00178 0.00011 153 5XY 0.00116 0.00234 -0.00185 0.00112 -0.00028 154 5XZ 0.00020 0.00197 -0.00073 -0.00016 -0.00099 155 5YZ 0.00098 0.00076 -0.00086 0.00103 -0.00024 156 8 Cl 1S 0.00258 -0.00127 -0.00025 0.00185 -0.00008 157 2S -0.01196 0.00578 0.00029 -0.00885 0.00051 158 2PX 0.01830 -0.02173 -0.00469 0.01693 -0.00280 159 2PY 0.00245 -0.01241 0.00240 0.00211 -0.00098 160 2PZ -0.00530 0.01246 -0.00150 -0.00462 0.00102 161 3S 0.02559 -0.01894 -0.00418 0.02101 0.00185 162 3PX -0.04950 0.06619 0.01305 -0.04723 0.00560 163 3PY -0.00918 0.03074 -0.00725 -0.00422 0.00187 164 3PZ 0.01631 -0.03216 0.00533 0.01083 -0.00386 165 4S 0.04687 -0.02441 0.02377 0.03763 -0.00746 166 4PX -0.03780 0.04364 -0.00427 -0.03321 0.00949 167 4PY 0.00818 0.01786 -0.00327 0.00822 0.00486 168 4PZ 0.01220 -0.02174 0.00993 0.00876 0.00022 169 5XX -0.00680 0.00422 0.00019 -0.00564 -0.00044 170 5YY 0.00130 -0.00114 -0.00121 0.00122 0.00087 171 5ZZ 0.00230 -0.00202 -0.00035 0.00178 0.00011 172 5XY -0.00116 0.00234 -0.00185 -0.00112 -0.00028 173 5XZ 0.00020 -0.00197 0.00073 -0.00016 0.00099 174 5YZ 0.00098 -0.00076 0.00086 0.00103 0.00024 126 127 128 129 130 126 11YY 2.71560 127 11ZZ -0.25751 2.71676 128 11XY -0.00090 -0.00033 1.98204 129 11XZ 0.00000 0.00000 0.00000 1.98235 130 11YZ 0.00000 0.00000 0.00000 -0.00031 1.98248 131 12XX 0.22234 0.22439 -0.00313 0.00000 0.00000 132 12YY 0.28849 0.22539 -0.00353 0.00000 0.00000 133 12ZZ 0.22202 0.28776 -0.00546 0.00000 0.00000 134 12XY 0.00239 0.00056 0.04457 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.04303 0.00074 136 12YZ 0.00000 0.00000 0.00000 0.00073 0.04273 137 7 Cl 1S -0.00012 -0.00018 0.00009 0.00001 0.00001 138 2S 0.00098 0.00119 -0.00036 -0.00008 -0.00013 139 2PX -0.00166 -0.00246 0.00011 -0.00087 -0.00031 140 2PY -0.00059 -0.00076 0.00031 -0.00028 0.00014 141 2PZ -0.00045 -0.00057 0.00009 -0.00032 -0.00012 142 3S 0.00173 0.00083 0.00110 0.00008 0.00004 143 3PX 0.00272 0.00491 -0.00042 0.00222 0.00079 144 3PY 0.00082 0.00124 -0.00079 0.00071 -0.00039 145 3PZ 0.00246 0.00282 -0.00035 0.00079 0.00027 146 4S -0.01416 -0.01272 0.00030 0.00150 0.00179 147 4PX 0.01180 0.01111 -0.00107 0.00071 -0.00093 148 4PY 0.00381 0.00466 0.00013 0.00122 0.00037 149 4PZ 0.00128 0.00064 0.00000 0.00069 0.00003 150 5XX -0.00010 -0.00006 -0.00010 -0.00009 -0.00014 151 5YY 0.00117 0.00100 0.00008 -0.00002 -0.00009 152 5ZZ 0.00045 0.00037 0.00002 -0.00006 -0.00010 153 5XY -0.00025 -0.00026 0.00001 0.00000 -0.00001 154 5XZ -0.00082 -0.00078 -0.00015 -0.00009 -0.00003 155 5YZ -0.00020 -0.00024 0.00004 -0.00001 0.00001 156 8 Cl 1S -0.00012 -0.00018 0.00009 -0.00001 -0.00001 157 2S 0.00098 0.00119 -0.00036 0.00008 0.00013 158 2PX -0.00166 -0.00246 0.00011 0.00087 0.00031 159 2PY -0.00059 -0.00076 0.00031 0.00028 -0.00014 160 2PZ 0.00045 0.00057 -0.00009 -0.00032 -0.00012 161 3S 0.00173 0.00083 0.00110 -0.00008 -0.00004 162 3PX 0.00272 0.00491 -0.00042 -0.00222 -0.00079 163 3PY 0.00082 0.00124 -0.00079 -0.00071 0.00039 164 3PZ -0.00246 -0.00282 0.00035 0.00079 0.00027 165 4S -0.01416 -0.01272 0.00030 -0.00150 -0.00179 166 4PX 0.01180 0.01111 -0.00107 -0.00071 0.00093 167 4PY 0.00381 0.00466 0.00013 -0.00122 -0.00037 168 4PZ -0.00128 -0.00064 0.00000 0.00069 0.00003 169 5XX -0.00010 -0.00006 -0.00010 0.00009 0.00014 170 5YY 0.00117 0.00100 0.00008 0.00002 0.00009 171 5ZZ 0.00045 0.00037 0.00002 0.00006 0.00010 172 5XY -0.00025 -0.00026 0.00001 0.00000 0.00001 173 5XZ 0.00082 0.00078 0.00015 -0.00009 -0.00003 174 5YZ 0.00020 0.00024 -0.00004 -0.00001 0.00001 131 132 133 134 135 131 12XX 0.08878 132 12YY 0.08315 0.08657 133 12ZZ 0.08248 0.08224 0.08287 134 12XY 0.00249 0.00265 0.00086 0.00307 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00246 136 12YZ 0.00000 0.00000 0.00000 0.00000 0.00119 137 7 Cl 1S -0.00042 -0.00033 -0.00036 -0.00004 -0.00019 138 2S 0.00176 0.00134 0.00147 0.00009 0.00075 139 2PX -0.00074 -0.00205 -0.00137 0.00075 0.00098 140 2PY 0.00148 0.00217 0.00246 -0.00143 0.00076 141 2PZ 0.00072 0.00022 -0.00089 0.00089 0.00043 142 3S -0.00180 0.00035 0.00060 -0.00099 -0.00164 143 3PX -0.00282 -0.00099 -0.00261 -0.00112 -0.00289 144 3PY -0.00567 -0.00678 -0.00751 0.00298 -0.00253 145 3PZ 0.00247 0.00319 0.00611 -0.00200 -0.00156 146 4S -0.00542 -0.00081 -0.00270 0.00037 -0.00232 147 4PX 0.00304 0.00184 0.00167 -0.00027 -0.00068 148 4PY -0.00065 -0.00134 -0.00187 0.00161 -0.00207 149 4PZ 0.00113 0.00001 0.00184 -0.00092 -0.00052 150 5XX 0.00044 0.00010 0.00008 0.00020 0.00033 151 5YY 0.00001 0.00013 0.00033 -0.00024 -0.00009 152 5ZZ -0.00002 -0.00014 -0.00027 0.00009 -0.00005 153 5XY 0.00016 -0.00019 0.00000 -0.00008 0.00004 154 5XZ 0.00051 -0.00009 -0.00012 0.00043 0.00021 155 5YZ 0.00040 0.00025 0.00037 -0.00018 0.00009 156 8 Cl 1S -0.00042 -0.00033 -0.00036 -0.00004 0.00019 157 2S 0.00176 0.00134 0.00147 0.00009 -0.00075 158 2PX -0.00074 -0.00205 -0.00137 0.00075 -0.00098 159 2PY 0.00148 0.00217 0.00246 -0.00143 -0.00076 160 2PZ -0.00072 -0.00022 0.00089 -0.00089 0.00043 161 3S -0.00180 0.00035 0.00060 -0.00099 0.00164 162 3PX -0.00282 -0.00099 -0.00261 -0.00112 0.00289 163 3PY -0.00567 -0.00678 -0.00751 0.00298 0.00253 164 3PZ -0.00247 -0.00319 -0.00612 0.00200 -0.00156 165 4S -0.00542 -0.00081 -0.00270 0.00037 0.00232 166 4PX 0.00304 0.00184 0.00167 -0.00026 0.00068 167 4PY -0.00065 -0.00133 -0.00187 0.00161 0.00207 168 4PZ -0.00113 -0.00001 -0.00184 0.00092 -0.00052 169 5XX 0.00044 0.00010 0.00008 0.00020 -0.00033 170 5YY 0.00001 0.00013 0.00033 -0.00024 0.00009 171 5ZZ -0.00002 -0.00014 -0.00027 0.00009 0.00005 172 5XY 0.00016 -0.00019 0.00000 -0.00008 -0.00004 173 5XZ -0.00051 0.00009 0.00012 -0.00043 0.00021 174 5YZ -0.00040 -0.00025 -0.00037 0.00018 0.00009 136 137 138 139 140 136 12YZ 0.00186 137 7 Cl 1S -0.00005 2.16061 138 2S 0.00033 -0.61774 2.38929 139 2PX -0.00018 0.00000 0.00000 2.10575 140 2PY -0.00064 0.00000 0.00000 0.00753 2.12181 141 2PZ 0.00017 -0.00371 0.01575 0.00000 0.00000 142 3S -0.00119 0.04673 -0.44071 0.00000 0.00000 143 3PX 0.00133 0.00000 0.00000 -0.30521 -0.02004 144 3PY 0.00140 0.00000 0.00000 -0.02003 -0.34790 145 3PZ -0.00029 0.00990 -0.04259 0.00000 0.00000 146 4S -0.00192 0.07339 -0.30497 -0.00001 0.00000 147 4PX 0.00124 0.00000 0.00000 -0.18815 -0.01748 148 4PY 0.00026 0.00000 0.00000 -0.01763 -0.22508 149 4PZ 0.00005 0.00360 -0.01728 0.00001 0.00000 150 5XX 0.00026 0.02378 -0.03103 0.00000 0.00000 151 5YY -0.00004 0.02213 -0.02331 0.00000 0.00000 152 5ZZ -0.00007 0.02336 -0.02922 0.00000 0.00000 153 5XY 0.00001 -0.00091 0.00425 0.00000 0.00000 154 5XZ 0.00004 0.00000 0.00000 0.01733 -0.00233 155 5YZ -0.00001 0.00000 0.00000 -0.00232 0.01243 156 8 Cl 1S 0.00005 -0.00005 0.00008 0.00000 0.00000 157 2S -0.00033 0.00008 0.00013 0.00000 0.00000 158 2PX 0.00018 0.00000 0.00000 -0.00624 0.00034 159 2PY 0.00064 0.00000 0.00000 0.00034 -0.00577 160 2PZ 0.00017 0.00210 -0.00978 0.00000 0.00000 161 3S 0.00119 -0.00048 0.00172 0.00000 0.00000 162 3PX -0.00133 0.00000 0.00000 0.01662 -0.00132 163 3PY -0.00140 0.00000 0.00000 -0.00127 0.01460 164 3PZ -0.00029 -0.00536 0.02491 0.00000 0.00000 165 4S 0.00192 0.00337 -0.01364 0.00000 0.00000 166 4PX -0.00124 0.00000 0.00000 0.00174 0.00468 167 4PY -0.00026 0.00000 0.00000 0.00427 0.01168 168 4PZ 0.00005 -0.00132 0.00710 0.00000 0.00000 169 5XX -0.00026 -0.00004 0.00010 0.00000 0.00000 170 5YY 0.00004 0.00000 -0.00005 0.00000 0.00000 171 5ZZ 0.00007 -0.00054 0.00223 0.00000 0.00000 172 5XY -0.00001 0.00001 -0.00005 0.00000 0.00000 173 5XZ 0.00004 0.00000 0.00000 -0.00126 -0.00012 174 5YZ -0.00001 0.00000 0.00000 -0.00012 -0.00155 141 142 143 144 145 141 2PZ 2.10826 142 3S -0.04387 1.20755 143 3PX 0.00000 0.00001 0.93673 144 3PY 0.00000 0.00000 0.05069 1.04426 145 3PZ -0.31166 0.11154 -0.00001 0.00000 0.94790 146 4S -0.02267 0.52022 0.00003 -0.00001 0.06330 147 4PX 0.00001 0.00001 0.40911 0.05363 -0.00002 148 4PY 0.00000 0.00000 0.05411 0.52392 0.00000 149 4PZ -0.18313 0.06223 -0.00002 0.00000 0.41827 150 5XX -0.00195 -0.00493 -0.00001 0.00000 0.00427 151 5YY -0.00602 -0.01976 0.00000 0.00000 0.01512 152 5ZZ 0.01536 -0.01011 0.00000 0.00000 -0.04172 153 5XY -0.00227 -0.00827 0.00000 0.00000 0.00599 154 5XZ 0.00000 0.00000 -0.04549 0.00609 0.00000 155 5YZ 0.00000 0.00000 0.00606 -0.03280 0.00000 156 8 Cl 1S -0.00210 -0.00048 0.00000 0.00000 0.00536 157 2S 0.00978 0.00172 0.00000 0.00000 -0.02491 158 2PX 0.00000 0.00000 0.01662 -0.00127 0.00000 159 2PY 0.00000 0.00000 -0.00132 0.01460 0.00000 160 2PZ 0.02465 0.01994 0.00000 0.00000 -0.06645 161 3S -0.01994 0.00007 0.00000 0.00000 0.04975 162 3PX 0.00000 0.00000 -0.04167 0.00448 -0.00001 163 3PY 0.00000 0.00000 0.00448 -0.03447 0.00000 164 3PZ -0.06645 -0.04975 -0.00001 0.00000 0.18042 165 4S -0.02389 0.01438 0.00000 0.00000 0.06406 166 4PX 0.00000 0.00000 -0.01715 -0.01032 -0.00001 167 4PY 0.00000 0.00000 -0.00910 -0.03791 0.00000 168 4PZ -0.04468 -0.01861 0.00000 0.00000 0.11377 169 5XX -0.00225 0.00087 0.00000 0.00000 0.00645 170 5YY -0.00014 0.00133 0.00000 0.00000 0.00089 171 5ZZ 0.00379 -0.00419 0.00000 0.00000 -0.00993 172 5XY 0.00109 0.00011 0.00000 0.00000 -0.00292 173 5XZ 0.00000 0.00000 0.00250 0.00044 0.00000 174 5YZ 0.00000 0.00000 0.00045 0.00364 0.00000 146 147 148 149 150 146 4S 0.24977 147 4PX 0.00001 0.18564 148 4PY 0.00000 0.03831 0.26722 149 4PZ 0.02675 -0.00002 0.00000 0.18881 150 5XX -0.00077 0.00000 0.00000 0.00169 0.00096 151 5YY -0.00678 0.00000 0.00000 0.00632 0.00065 152 5ZZ -0.00390 0.00000 0.00000 -0.01790 0.00023 153 5XY -0.00345 0.00000 0.00000 0.00258 0.00007 154 5XZ 0.00000 -0.01899 0.00151 0.00000 0.00000 155 5YZ 0.00000 0.00155 -0.01587 0.00000 0.00000 156 8 Cl 1S 0.00337 0.00000 0.00000 0.00132 -0.00004 157 2S -0.01363 0.00000 0.00000 -0.00710 0.00010 158 2PX 0.00000 0.00174 0.00427 0.00000 0.00000 159 2PY 0.00000 0.00468 0.01168 0.00000 0.00000 160 2PZ 0.02389 0.00000 0.00000 -0.04468 0.00225 161 3S 0.01437 0.00000 0.00000 0.01861 0.00087 162 3PX 0.00000 -0.01715 -0.00910 0.00000 0.00000 163 3PY 0.00000 -0.01032 -0.03791 0.00000 0.00000 164 3PZ -0.06406 -0.00001 0.00000 0.11377 -0.00645 165 4S 0.01824 0.00000 0.00000 0.02337 0.00162 166 4PX 0.00000 -0.00715 -0.01034 0.00000 0.00000 167 4PY 0.00000 -0.01034 -0.02940 0.00000 0.00000 168 4PZ -0.02337 0.00000 0.00000 0.06385 -0.00257 169 5XX 0.00162 0.00000 0.00000 0.00257 0.00003 170 5YY 0.00092 0.00000 0.00000 -0.00015 0.00005 171 5ZZ -0.00464 0.00000 0.00000 -0.00269 -0.00037 172 5XY -0.00039 0.00000 0.00000 -0.00140 0.00008 173 5XZ 0.00000 0.00091 -0.00004 0.00000 0.00000 174 5YZ 0.00000 -0.00009 0.00093 0.00000 0.00000 151 152 153 154 155 151 5YY 0.00132 152 5ZZ -0.00009 0.00283 153 5XY 0.00015 -0.00019 0.00029 154 5XZ 0.00000 0.00000 0.00000 0.00260 155 5YZ 0.00000 0.00000 0.00000 -0.00062 0.00127 156 8 Cl 1S 0.00000 -0.00054 0.00001 0.00000 0.00000 157 2S -0.00005 0.00223 -0.00005 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00126 0.00012 159 2PY 0.00000 0.00000 0.00000 0.00012 0.00155 160 2PZ 0.00014 -0.00379 -0.00109 0.00000 0.00000 161 3S 0.00133 -0.00419 0.00011 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 -0.00250 -0.00045 163 3PY 0.00000 0.00000 0.00000 -0.00044 -0.00364 164 3PZ -0.00089 0.00993 0.00292 0.00000 0.00000 165 4S 0.00092 -0.00464 -0.00039 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 -0.00091 0.00009 167 4PY 0.00000 0.00000 0.00000 0.00004 -0.00093 168 4PZ 0.00015 0.00268 0.00140 0.00000 0.00000 169 5XX 0.00005 -0.00037 0.00008 0.00000 0.00000 170 5YY 0.00013 -0.00034 -0.00002 0.00000 0.00000 171 5ZZ -0.00034 0.00127 0.00001 0.00000 0.00000 172 5XY -0.00002 0.00001 0.00002 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 -0.00060 0.00009 174 5YZ 0.00000 0.00000 0.00000 0.00009 -0.00039 156 157 158 159 160 156 8 Cl 1S 2.16061 157 2S -0.61774 2.38929 158 2PX 0.00000 0.00000 2.10575 159 2PY 0.00000 0.00000 0.00753 2.12181 160 2PZ 0.00371 -0.01575 0.00000 0.00000 2.10826 161 3S 0.04673 -0.44071 0.00000 0.00000 0.04387 162 3PX 0.00000 0.00000 -0.30521 -0.02004 0.00000 163 3PY 0.00000 0.00000 -0.02003 -0.34790 0.00000 164 3PZ -0.00990 0.04259 0.00000 0.00000 -0.31166 165 4S 0.07339 -0.30496 0.00001 -0.00001 0.02267 166 4PX 0.00000 0.00000 -0.18815 -0.01748 0.00000 167 4PY 0.00000 0.00000 -0.01763 -0.22508 0.00000 168 4PZ -0.00360 0.01728 0.00001 -0.00001 -0.18313 169 5XX 0.02378 -0.03103 0.00000 0.00000 0.00195 170 5YY 0.02213 -0.02332 0.00000 0.00000 0.00602 171 5ZZ 0.02336 -0.02922 0.00000 0.00000 -0.01536 172 5XY -0.00091 0.00425 0.00000 0.00000 0.00227 173 5XZ 0.00000 0.00000 -0.01733 0.00233 0.00000 174 5YZ 0.00000 0.00000 0.00232 -0.01243 0.00000 161 162 163 164 165 161 3S 1.20755 162 3PX 0.00000 0.93673 163 3PY 0.00001 0.05069 1.04426 164 3PZ -0.11154 0.00000 0.00001 0.94790 165 4S 0.52022 -0.00002 0.00001 -0.06331 0.24977 166 4PX 0.00000 0.40911 0.05364 -0.00001 -0.00001 167 4PY 0.00000 0.05412 0.52392 0.00001 0.00001 168 4PZ -0.06223 -0.00001 0.00001 0.41827 -0.02676 169 5XX -0.00493 0.00000 0.00000 -0.00427 -0.00077 170 5YY -0.01976 0.00000 0.00000 -0.01512 -0.00678 171 5ZZ -0.01011 0.00000 0.00000 0.04172 -0.00390 172 5XY -0.00827 0.00000 0.00000 -0.00599 -0.00345 173 5XZ 0.00000 0.04549 -0.00609 0.00000 0.00000 174 5YZ 0.00000 -0.00606 0.03280 0.00000 0.00000 166 167 168 169 170 166 4PX 0.18564 167 4PY 0.03831 0.26722 168 4PZ -0.00001 0.00001 0.18881 169 5XX 0.00000 0.00000 -0.00169 0.00096 170 5YY 0.00000 0.00000 -0.00632 0.00065 0.00132 171 5ZZ 0.00000 0.00000 0.01790 0.00023 -0.00009 172 5XY 0.00000 0.00000 -0.00258 0.00007 0.00015 173 5XZ 0.01899 -0.00151 0.00000 0.00000 0.00000 174 5YZ -0.00155 0.01587 0.00000 0.00000 0.00000 171 172 173 174 171 5ZZ 0.00283 172 5XY -0.00019 0.00029 173 5XZ 0.00000 0.00000 0.00260 174 5YZ 0.00000 0.00000 -0.00062 0.00127 Full Mulliken population analysis: 1 2 3 4 5 1 1 Al 1S 2.12840 2 2S -0.13046 2.18957 3 2PX 0.00000 0.00000 2.00062 4 2PY 0.00000 0.00000 0.00000 2.00842 5 2PZ 0.00000 0.00000 0.00000 0.00000 1.99289 6 3S -0.00021 -0.02433 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 -0.00260 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 -0.00758 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00213 10 4S 0.00024 -0.00353 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 -0.00126 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 -0.00062 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00114 14 5XX 0.00004 -0.00395 0.00000 0.00000 0.00000 15 5YY 0.00005 -0.00523 0.00000 0.00000 0.00000 16 5ZZ 0.00004 -0.00284 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 0.00002 -0.00006 -0.00001 0.00000 27 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 29 4S 0.00000 0.00005 0.00013 0.00002 0.00000 30 4PX -0.00001 0.00020 0.00006 0.00002 0.00000 31 4PY 0.00000 -0.00002 0.00003 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 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00000 0.00000 0.00000 0.00000 0.00000 41 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 42 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 44 3S 0.00000 -0.00008 0.00000 -0.00036 0.00000 45 3PX 0.00000 -0.00003 -0.00009 -0.00004 0.00000 46 3PY 0.00002 -0.00185 -0.00003 -0.00271 0.00000 47 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00012 48 4S 0.00000 0.00030 0.00000 -0.00015 0.00000 49 4PX 0.00000 -0.00012 -0.00046 -0.00008 0.00000 50 4PY 0.00021 -0.00737 -0.00007 -0.00419 0.00000 51 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00062 52 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 53 5YY 0.00000 -0.00006 0.00000 -0.00006 0.00000 54 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.00000 0.00000 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.00000 0.00000 0.00000 68 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 69 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 73 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3S 0.00000 0.00000 0.00000 0.00000 0.00000 80 4S 0.00000 0.00000 0.00000 0.00000 0.00000 81 5S 0.00000 -0.00004 -0.00011 -0.00007 0.00000 82 6S 0.00000 0.00053 0.00022 0.00010 0.00000 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 -0.00055 -0.00038 -0.00049 0.00000 90 9PY 0.00000 -0.00032 -0.00047 -0.00010 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 92 10PX 0.00015 -0.00615 -0.00124 -0.00221 0.00000 93 10PY 0.00010 -0.00361 -0.00211 -0.00020 0.00000 94 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00063 95 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 96 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 97 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 -0.00034 -0.00015 -0.00026 0.00000 102 12YY 0.00000 -0.00013 -0.00020 -0.00001 0.00000 103 12ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 104 12XY 0.00001 -0.00043 -0.00020 -0.00006 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 106 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 -0.00003 0.00000 -0.00005 143 3PX 0.00000 -0.00022 -0.00015 -0.00004 -0.00029 144 3PY 0.00000 -0.00004 -0.00004 0.00000 -0.00005 145 3PZ 0.00000 -0.00021 -0.00026 -0.00004 -0.00020 146 4S 0.00001 -0.00018 -0.00009 -0.00001 -0.00018 147 4PX 0.00004 -0.00169 -0.00033 -0.00014 -0.00101 148 4PY 0.00001 -0.00028 -0.00015 -0.00006 -0.00016 149 4PZ 0.00006 -0.00188 -0.00097 -0.00015 -0.00060 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 -0.00001 0.00000 0.00000 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 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 -0.00003 0.00000 -0.00005 162 3PX 0.00000 -0.00022 -0.00015 -0.00004 -0.00029 163 3PY 0.00000 -0.00004 -0.00004 0.00000 -0.00005 164 3PZ 0.00000 -0.00021 -0.00026 -0.00004 -0.00020 165 4S 0.00001 -0.00018 -0.00009 -0.00001 -0.00018 166 4PX 0.00004 -0.00169 -0.00033 -0.00014 -0.00101 167 4PY 0.00001 -0.00028 -0.00015 -0.00006 -0.00016 168 4PZ 0.00006 -0.00188 -0.00097 -0.00015 -0.00060 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 -0.00001 0.00000 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.61154 7 3PX 0.00000 0.19532 8 3PY 0.00000 0.00000 0.24756 9 3PZ 0.00000 0.00000 0.00000 0.13323 10 4S -0.01792 0.00000 0.00000 0.00000 0.03775 11 4PX 0.00000 0.01153 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 -0.00281 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00912 0.00000 14 5XX -0.01179 0.00000 0.00000 0.00000 -0.00320 15 5YY 0.00414 0.00000 0.00000 0.00000 0.00459 16 5ZZ -0.03210 0.00000 0.00000 0.00000 0.00029 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 0.00002 0.00000 0.00000 0.00005 22 2PX 0.00000 -0.00006 -0.00001 0.00000 0.00013 23 2PY 0.00000 -0.00001 0.00000 0.00000 0.00002 24 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 25 3S -0.00100 0.00019 0.00004 0.00000 0.00318 26 3PX 0.00019 0.00423 0.00088 0.00000 -0.00510 27 3PY 0.00004 0.00088 -0.00001 0.00000 -0.00078 28 3PZ 0.00000 0.00000 0.00000 -0.00098 0.00000 29 4S 0.00318 -0.00510 -0.00078 0.00000 -0.00911 30 4PX 0.00279 -0.00227 0.00008 0.00000 -0.01101 31 4PY 0.00086 -0.00047 0.00084 0.00000 -0.00176 32 4PZ 0.00000 0.00000 0.00000 -0.00037 0.00000 33 5XX 0.00063 0.00183 0.00054 0.00000 0.00016 34 5YY 0.00008 0.00004 -0.00002 0.00000 -0.00033 35 5ZZ -0.00022 -0.00045 -0.00007 0.00000 -0.00017 36 5XY 0.00012 0.00076 0.00000 0.00000 0.00007 37 5XZ 0.00000 0.00000 0.00000 -0.00020 0.00000 38 5YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00006 0.00000 -0.00006 40 2S -0.00015 -0.00002 -0.00212 0.00000 0.00189 41 2PX -0.00001 -0.00026 -0.00006 0.00000 -0.00002 42 2PY -0.00179 -0.00004 -0.00354 0.00000 0.00009 43 2PZ 0.00000 0.00000 0.00000 -0.00033 0.00000 44 3S -0.00098 0.00015 0.01899 0.00000 -0.00755 45 3PX 0.00030 0.00969 0.00180 0.00000 0.00101 46 3PY 0.06456 0.00113 0.09571 0.00000 -0.00157 47 3PZ 0.00000 0.00000 0.00000 0.01224 0.00000 48 4S -0.01722 -0.00003 -0.01612 0.00000 -0.00370 49 4PX 0.00023 0.01284 0.00130 0.00000 0.00156 50 4PY 0.06029 0.00088 0.05016 0.00000 -0.00155 51 4PZ 0.00000 0.00000 0.00000 0.01796 0.00000 52 5XX -0.00079 -0.00002 -0.00111 0.00000 0.00014 53 5YY 0.00498 0.00009 0.00560 0.00000 -0.00042 54 5ZZ -0.00083 -0.00002 -0.00116 0.00000 0.00007 55 5XY 0.00004 0.00047 0.00012 0.00000 0.00001 56 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00049 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.00000 0.00000 0.00009 64 3PX 0.00000 -0.00001 -0.00001 0.00000 -0.00052 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00017 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00000 0.00006 -0.00002 0.00000 -0.00004 68 4PX -0.00001 -0.00007 -0.00010 0.00000 -0.00132 69 4PY 0.00002 0.00006 -0.00003 0.00000 0.00032 70 4PZ 0.00000 0.00000 0.00000 0.00003 0.00000 71 5XX 0.00000 0.00000 0.00000 0.00000 -0.00001 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00002 73 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 -0.00001 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 -0.00001 0.00000 0.00000 -0.00007 78 2S -0.00010 0.00024 0.00013 0.00000 0.00230 79 3S 0.00018 -0.00073 -0.00042 0.00000 -0.00410 80 4S 0.00071 -0.00228 -0.00131 0.00000 -0.01123 81 5S 0.00085 0.01017 0.00657 0.00000 -0.00200 82 6S -0.02320 -0.02105 -0.01382 0.00000 -0.01173 83 7PX 0.00002 0.00002 0.00004 0.00000 -0.00001 84 7PY 0.00001 0.00003 0.00001 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00001 0.00000 86 8PX -0.00167 -0.00135 -0.00218 0.00000 -0.00015 87 8PY -0.00117 -0.00200 -0.00030 0.00000 0.00029 88 8PZ 0.00000 0.00000 0.00000 -0.00045 0.00000 89 9PX 0.02848 0.01796 0.03196 0.00000 0.00564 90 9PY 0.02075 0.02931 0.00346 0.00000 -0.00490 91 9PZ 0.00000 0.00000 0.00000 0.00817 0.00000 92 10PX 0.05075 0.01351 0.04004 0.00000 0.01162 93 10PY 0.03784 0.03634 0.00059 0.00000 -0.01216 94 10PZ 0.00000 0.00000 0.00000 0.02017 0.00000 95 11XX -0.00048 0.00051 0.00002 0.00000 0.00386 96 11YY -0.00035 0.00049 0.00044 0.00000 0.00502 97 11ZZ 0.00012 0.00083 0.00048 0.00000 0.00431 98 11XY -0.00017 -0.00012 -0.00005 0.00000 -0.00001 99 11XZ 0.00000 0.00000 0.00000 -0.00002 0.00000 100 11YZ 0.00000 0.00000 0.00000 -0.00002 0.00000 101 12XX 0.00557 0.00376 0.00663 0.00000 0.00751 102 12YY 0.00317 0.00609 0.00087 0.00000 0.00514 103 12ZZ -0.00027 0.00180 0.00115 0.00000 0.00561 104 12XY 0.00434 0.00179 0.00053 0.00000 -0.00009 105 12XZ 0.00000 0.00000 0.00000 0.00093 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00055 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00001 110 4S 0.00000 0.00000 0.00000 0.00000 0.00002 111 5S 0.00000 0.00000 0.00000 0.00000 0.00009 112 6S -0.00001 0.00007 0.00000 0.00000 -0.00015 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 -0.00001 0.00000 0.00000 -0.00027 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00003 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX -0.00001 -0.00015 0.00000 0.00000 -0.00126 123 10PY 0.00000 0.00001 0.00000 0.00000 0.00010 124 10PZ 0.00000 0.00000 0.00000 0.00003 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 -0.00003 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 -0.00001 0.00000 0.00000 -0.00004 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00004 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00001 0.00000 0.00001 -0.00003 138 2S 0.00009 -0.00029 -0.00004 -0.00050 0.00092 139 2PX -0.00032 -0.00025 -0.00010 -0.00061 0.00018 140 2PY -0.00005 -0.00010 -0.00003 -0.00010 0.00003 141 2PZ -0.00028 -0.00060 -0.00009 -0.00032 0.00003 142 3S -0.00296 0.00309 0.00042 0.00470 -0.00413 143 3PX 0.01174 0.00678 0.00316 0.02041 -0.00028 144 3PY 0.00193 0.00322 0.00127 0.00323 -0.00009 145 3PZ 0.01213 0.01993 0.00308 0.00933 -0.00133 146 4S -0.00402 -0.00296 -0.00060 0.00044 -0.00471 147 4PX 0.01424 0.00261 0.00267 0.01715 -0.00236 148 4PY 0.00240 0.00276 0.00177 0.00268 -0.00035 149 4PZ 0.01452 0.01663 0.00253 0.00541 -0.00192 150 5XX 0.00013 -0.00035 0.00006 0.00025 0.00005 151 5YY -0.00031 -0.00018 -0.00007 -0.00017 0.00010 152 5ZZ 0.00071 0.00138 0.00021 0.00024 -0.00018 153 5XY 0.00006 0.00002 0.00005 0.00006 0.00000 154 5XZ 0.00073 0.00023 0.00013 0.00043 0.00001 155 5YZ 0.00011 0.00013 0.00007 0.00007 0.00000 156 8 Cl 1S 0.00000 0.00001 0.00000 0.00001 -0.00003 157 2S 0.00009 -0.00029 -0.00004 -0.00050 0.00092 158 2PX -0.00032 -0.00025 -0.00010 -0.00061 0.00018 159 2PY -0.00005 -0.00010 -0.00003 -0.00010 0.00003 160 2PZ -0.00028 -0.00060 -0.00009 -0.00032 0.00003 161 3S -0.00296 0.00309 0.00042 0.00470 -0.00413 162 3PX 0.01175 0.00678 0.00316 0.02041 -0.00028 163 3PY 0.00193 0.00322 0.00127 0.00323 -0.00009 164 3PZ 0.01214 0.01994 0.00308 0.00933 -0.00134 165 4S -0.00402 -0.00296 -0.00060 0.00044 -0.00471 166 4PX 0.01425 0.00261 0.00267 0.01715 -0.00236 167 4PY 0.00240 0.00276 0.00177 0.00268 -0.00035 168 4PZ 0.01452 0.01663 0.00253 0.00541 -0.00192 169 5XX 0.00013 -0.00035 0.00006 0.00025 0.00005 170 5YY -0.00031 -0.00018 -0.00007 -0.00017 0.00010 171 5ZZ 0.00071 0.00138 0.00021 0.00024 -0.00018 172 5XY 0.00006 0.00002 0.00005 0.00006 0.00000 173 5XZ 0.00073 0.00023 0.00013 0.00043 0.00001 174 5YZ 0.00011 0.00013 0.00007 0.00007 0.00000 11 12 13 14 15 11 4PX 0.04392 12 4PY 0.00000 0.02399 13 4PZ 0.00000 0.00000 0.02010 14 5XX 0.00000 0.00000 0.00000 0.01413 15 5YY 0.00000 0.00000 0.00000 -0.00410 0.01904 16 5ZZ 0.00000 0.00000 0.00000 0.00091 -0.00234 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 0.00020 -0.00002 0.00000 0.00000 0.00000 22 2PX 0.00006 0.00003 0.00000 -0.00001 0.00000 23 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S 0.00278 0.00086 0.00000 0.00063 0.00008 26 3PX -0.00227 -0.00047 0.00000 0.00183 0.00004 27 3PY 0.00008 0.00084 0.00000 0.00054 -0.00002 28 3PZ 0.00000 0.00000 -0.00037 0.00000 0.00000 29 4S -0.01101 -0.00176 0.00000 0.00016 -0.00033 30 4PX -0.00499 -0.00187 0.00000 -0.00040 -0.00067 31 4PY -0.00186 0.00152 0.00000 0.00020 -0.00022 32 4PZ 0.00000 0.00000 0.00075 0.00000 0.00000 33 5XX -0.00040 0.00020 0.00000 0.00021 -0.00005 34 5YY -0.00067 -0.00022 0.00000 -0.00005 -0.00001 35 5ZZ 0.00049 0.00005 0.00000 0.00000 0.00001 36 5XY 0.00017 0.00007 0.00000 0.00030 -0.00001 37 5XZ 0.00000 0.00000 -0.00018 0.00000 0.00000 38 5YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 39 3 Cl 1S 0.00000 -0.00007 0.00000 0.00000 0.00002 40 2S -0.00007 0.00209 0.00000 0.00001 -0.00087 41 2PX -0.00040 0.00000 0.00000 0.00000 -0.00004 42 2PY -0.00001 0.00011 0.00000 0.00002 -0.00115 43 2PZ 0.00000 0.00000 -0.00024 0.00000 0.00000 44 3S 0.00009 -0.00769 0.00000 -0.00065 0.00942 45 3PX 0.01911 0.00009 0.00000 0.00012 0.00113 46 3PY 0.00019 -0.00293 0.00000 -0.00357 0.02500 47 3PZ 0.00000 0.00000 0.01030 0.00000 0.00000 48 4S -0.00004 -0.00821 0.00000 -0.00033 0.00339 49 4PX 0.02928 0.00022 0.00000 -0.00002 0.00081 50 4PY 0.00022 -0.00179 0.00000 -0.00781 0.01359 51 4PZ 0.00000 0.00000 0.01591 0.00000 0.00000 52 5XX -0.00003 0.00035 0.00000 0.00003 -0.00024 53 5YY 0.00005 -0.00039 0.00000 -0.00011 0.00116 54 5ZZ 0.00000 0.00024 0.00000 0.00001 -0.00023 55 5XY 0.00019 0.00000 0.00000 0.00001 0.00006 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00011 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S -0.00001 -0.00005 0.00000 0.00000 0.00000 60 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00007 0.00018 0.00000 0.00000 0.00000 64 3PX -0.00059 -0.00019 0.00000 0.00000 0.00000 65 3PY 0.00001 0.00006 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 67 4S 0.00006 -0.00018 0.00000 0.00001 -0.00001 68 4PX -0.00109 -0.00042 0.00000 -0.00001 -0.00001 69 4PY 0.00003 -0.00008 0.00000 -0.00001 -0.00002 70 4PZ 0.00000 0.00000 -0.00005 0.00000 0.00000 71 5XX -0.00001 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00001 0.00001 0.00000 0.00000 0.00000 73 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 5XY -0.00001 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S -0.00005 -0.00006 0.00000 0.00000 0.00000 78 2S 0.00151 0.00193 0.00000 0.00003 0.00000 79 3S -0.00281 -0.00351 0.00000 -0.00009 -0.00001 80 4S -0.00764 -0.00953 0.00000 -0.00033 -0.00003 81 5S 0.00244 0.00099 0.00000 0.00133 0.00010 82 6S -0.01117 -0.00927 0.00000 0.00142 0.00019 83 7PX 0.00000 -0.00001 0.00000 0.00000 0.00001 84 7PY 0.00000 0.00000 0.00000 0.00001 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00009 -0.00023 0.00000 0.00010 -0.00023 87 8PY -0.00040 -0.00016 0.00000 -0.00048 0.00014 88 8PZ 0.00000 0.00000 -0.00061 0.00000 0.00000 89 9PX -0.00075 0.00518 0.00000 -0.00216 0.00386 90 9PY 0.00733 0.00344 0.00000 0.00778 -0.00224 91 9PZ 0.00000 0.00000 0.01072 0.00000 0.00000 92 10PX 0.00305 0.00925 0.00000 -0.00372 0.00817 93 10PY 0.01320 0.01226 0.00000 0.01279 -0.00498 94 10PZ 0.00000 0.00000 0.02612 0.00000 0.00000 95 11XX 0.00345 0.00326 0.00000 0.00013 0.00001 96 11YY 0.00220 0.00395 0.00000 0.00008 0.00002 97 11ZZ 0.00284 0.00353 0.00000 0.00006 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00001 0.00002 99 11XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 100 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 101 12XX 0.00239 0.00658 0.00000 -0.00006 0.00057 102 12YY 0.00639 0.00275 0.00000 0.00085 -0.00012 103 12ZZ 0.00409 0.00454 0.00000 0.00007 0.00001 104 12XY 0.00001 0.00006 0.00000 0.00029 -0.00012 105 12XZ 0.00000 0.00000 0.00034 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00024 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S -0.00004 0.00000 0.00000 0.00000 0.00000 109 3S 0.00007 0.00001 0.00000 0.00000 0.00000 110 4S 0.00021 0.00002 0.00000 0.00000 0.00000 111 5S 0.00015 0.00000 0.00000 0.00000 0.00000 112 6S 0.00017 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00001 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX -0.00064 0.00002 0.00000 0.00000 0.00000 120 9PY 0.00004 0.00008 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 122 10PX -0.00208 0.00007 0.00000 -0.00007 0.00000 123 10PY 0.00011 0.00035 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00000 -0.00005 0.00000 0.00000 125 11XX -0.00007 -0.00001 0.00000 0.00000 0.00000 126 11YY -0.00012 -0.00001 0.00000 0.00000 0.00000 127 11ZZ -0.00007 -0.00001 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX -0.00030 -0.00002 0.00000 0.00000 0.00000 132 12YY -0.00008 -0.00001 0.00000 0.00000 0.00000 133 12ZZ -0.00012 -0.00001 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00001 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 7 Cl 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 138 2S 0.00079 0.00013 0.00074 -0.00001 0.00001 139 2PX -0.00002 0.00002 0.00008 0.00001 0.00001 140 2PY 0.00001 -0.00009 0.00001 -0.00002 -0.00001 141 2PZ 0.00005 0.00001 0.00000 -0.00009 0.00001 142 3S -0.00451 -0.00066 -0.00392 0.00017 -0.00030 143 3PX 0.00069 0.00015 -0.00136 -0.00063 -0.00087 144 3PY 0.00027 0.00398 -0.00020 0.00082 0.00031 145 3PZ -0.00107 -0.00029 0.00023 0.00386 -0.00085 146 4S -0.00638 -0.00109 -0.00610 0.00027 -0.00077 147 4PX 0.00260 -0.00013 -0.00252 -0.00065 -0.00233 148 4PY 0.00006 0.00640 -0.00041 0.00121 -0.00028 149 4PZ -0.00203 -0.00042 0.00167 0.00464 -0.00210 150 5XX 0.00005 0.00002 0.00019 -0.00002 0.00001 151 5YY 0.00016 0.00002 0.00015 -0.00004 0.00001 152 5ZZ -0.00012 -0.00003 -0.00028 0.00022 -0.00004 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00000 0.00000 -0.00005 -0.00003 155 5YZ 0.00000 0.00004 0.00000 0.00001 0.00001 156 8 Cl 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 157 2S 0.00079 0.00013 0.00074 -0.00001 0.00001 158 2PX -0.00002 0.00002 0.00008 0.00001 0.00001 159 2PY 0.00001 -0.00009 0.00001 -0.00002 -0.00001 160 2PZ 0.00005 0.00001 0.00000 -0.00009 0.00001 161 3S -0.00452 -0.00066 -0.00392 0.00017 -0.00030 162 3PX 0.00069 0.00015 -0.00136 -0.00063 -0.00087 163 3PY 0.00027 0.00399 -0.00020 0.00082 0.00031 164 3PZ -0.00107 -0.00029 0.00023 0.00386 -0.00085 165 4S -0.00638 -0.00109 -0.00610 0.00027 -0.00077 166 4PX 0.00260 -0.00013 -0.00252 -0.00065 -0.00233 167 4PY 0.00006 0.00640 -0.00041 0.00121 -0.00028 168 4PZ -0.00203 -0.00042 0.00167 0.00464 -0.00210 169 5XX 0.00005 0.00002 0.00019 -0.00002 0.00001 170 5YY 0.00016 0.00002 0.00015 -0.00004 0.00001 171 5ZZ -0.00012 -0.00003 -0.00028 0.00022 -0.00004 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00000 0.00000 -0.00005 -0.00003 174 5YZ 0.00000 0.00004 0.00000 0.00001 0.00001 16 17 18 19 20 16 5ZZ 0.01159 17 5XY 0.00000 0.01846 18 5XZ 0.00000 0.00000 0.01513 19 5YZ 0.00000 0.00000 0.00000 0.01162 20 2 Al 1S 0.00000 0.00000 0.00000 0.00000 2.12840 21 2S 0.00000 0.00000 0.00000 0.00000 -0.13046 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 -0.00022 0.00012 0.00000 0.00000 -0.00021 26 3PX -0.00045 0.00076 0.00000 0.00000 0.00000 27 3PY -0.00007 0.00000 0.00000 0.00000 0.00000 28 3PZ 0.00000 0.00000 -0.00020 -0.00003 0.00000 29 4S -0.00017 0.00007 0.00000 0.00000 0.00024 30 4PX 0.00049 0.00017 0.00000 0.00000 0.00000 31 4PY 0.00005 0.00007 0.00000 0.00000 0.00000 32 4PZ 0.00000 0.00000 -0.00018 -0.00003 0.00000 33 5XX 0.00000 0.00030 0.00000 0.00000 0.00004 34 5YY 0.00001 -0.00001 0.00000 0.00000 0.00005 35 5ZZ -0.00001 -0.00001 0.00000 0.00000 0.00004 36 5XY -0.00001 0.00002 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 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00000 -0.00003 0.00000 0.00000 0.00000 41 2PX 0.00000 -0.00020 0.00000 0.00000 0.00000 42 2PY 0.00001 -0.00007 0.00000 0.00000 0.00000 43 2PZ 0.00000 0.00000 0.00000 -0.00022 0.00000 44 3S -0.00046 0.00030 0.00000 0.00000 0.00000 45 3PX -0.00004 0.00873 0.00000 0.00000 0.00000 46 3PY -0.00249 0.00160 0.00000 0.00000 0.00000 47 3PZ 0.00000 0.00000 0.00014 0.00931 0.00000 48 4S 0.00000 0.00010 0.00000 0.00000 0.00000 49 4PX -0.00013 0.00957 0.00000 0.00000 0.00000 50 4PY -0.00557 0.00060 0.00000 0.00000 0.00000 51 4PZ 0.00000 0.00000 0.00012 0.01038 0.00000 52 5XX 0.00001 0.00000 0.00000 0.00000 0.00000 53 5YY -0.00010 0.00008 0.00000 0.00000 0.00000 54 5ZZ 0.00003 -0.00001 0.00000 0.00000 0.00000 55 5XY 0.00000 0.00022 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00001 0.00001 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00030 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.00000 0.00000 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.00000 0.00000 0.00000 68 4PX 0.00000 -0.00002 0.00000 0.00000 0.00000 69 4PY 0.00001 -0.00001 0.00000 0.00000 0.00021 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 73 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00004 0.00000 0.00000 0.00000 79 3S 0.00000 -0.00018 0.00000 0.00000 0.00000 80 4S 0.00001 -0.00072 0.00000 0.00000 0.00000 81 5S -0.00025 0.00342 0.00000 0.00000 0.00000 82 6S 0.00040 0.00114 0.00000 0.00000 0.00000 83 7PX 0.00000 0.00001 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00001 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00001 -0.00078 0.00000 0.00000 0.00000 87 8PY 0.00000 -0.00031 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 -0.00015 -0.00009 0.00000 89 9PX -0.00094 0.01043 0.00000 0.00000 0.00000 90 9PY -0.00049 0.00369 0.00000 0.00000 0.00000 91 9PZ 0.00000 0.00000 0.00355 0.00199 0.00000 92 10PX -0.00450 0.00571 0.00000 0.00000 0.00000 93 10PY -0.00212 0.00119 0.00000 0.00000 0.00000 94 10PZ 0.00000 0.00000 0.00674 0.00401 0.00000 95 11XX 0.00000 0.00015 0.00000 0.00000 0.00000 96 11YY 0.00000 0.00017 0.00000 0.00000 0.00000 97 11ZZ -0.00001 0.00014 0.00000 0.00000 0.00000 98 11XY 0.00000 -0.00003 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 100 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 101 12XX -0.00027 0.00099 0.00000 0.00000 0.00000 102 12YY -0.00016 0.00023 0.00000 0.00000 0.00000 103 12ZZ -0.00004 0.00011 0.00000 0.00000 0.00000 104 12XY -0.00020 0.00045 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00024 0.00032 0.00000 106 12YZ 0.00000 0.00000 0.00024 0.00007 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00001 0.00000 0.00000 0.00000 0.00015 123 10PY 0.00000 0.00000 0.00000 0.00000 0.00010 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00001 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 -0.00010 -0.00003 -0.00020 -0.00003 0.00000 139 2PX -0.00011 -0.00004 -0.00015 -0.00005 0.00000 140 2PY -0.00002 0.00000 -0.00005 0.00000 0.00000 141 2PZ 0.00000 -0.00006 -0.00020 -0.00003 0.00000 142 3S 0.00181 0.00034 0.00277 0.00045 0.00000 143 3PX 0.00467 0.00111 0.00472 0.00191 0.00000 144 3PY 0.00076 0.00045 0.00189 0.00050 0.00000 145 3PZ -0.00060 0.00208 0.00641 0.00103 0.00000 146 4S 0.00179 0.00027 0.00197 0.00032 0.00001 147 4PX 0.00543 0.00045 0.00158 0.00132 0.00004 148 4PY 0.00087 0.00084 0.00130 0.00119 0.00001 149 4PZ -0.00056 0.00130 0.00277 0.00045 0.00006 150 5XX -0.00002 -0.00003 -0.00004 0.00001 0.00000 151 5YY 0.00000 -0.00001 -0.00007 -0.00001 0.00000 152 5ZZ -0.00003 0.00013 0.00017 0.00003 0.00000 153 5XY -0.00001 0.00000 0.00003 0.00000 0.00000 154 5XZ 0.00010 0.00003 0.00019 0.00006 0.00000 155 5YZ 0.00002 0.00001 0.00006 0.00001 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00010 -0.00003 -0.00020 -0.00003 0.00000 158 2PX -0.00011 -0.00004 -0.00015 -0.00005 0.00000 159 2PY -0.00002 0.00000 -0.00005 0.00000 0.00000 160 2PZ 0.00000 -0.00006 -0.00020 -0.00003 0.00000 161 3S 0.00181 0.00034 0.00277 0.00045 0.00000 162 3PX 0.00467 0.00111 0.00472 0.00191 0.00000 163 3PY 0.00076 0.00045 0.00189 0.00050 0.00000 164 3PZ -0.00060 0.00208 0.00641 0.00103 0.00000 165 4S 0.00179 0.00027 0.00197 0.00032 0.00001 166 4PX 0.00543 0.00045 0.00158 0.00132 0.00004 167 4PY 0.00087 0.00084 0.00130 0.00119 0.00001 168 4PZ -0.00056 0.00130 0.00277 0.00045 0.00006 169 5XX -0.00002 -0.00003 -0.00004 0.00001 0.00000 170 5YY 0.00000 -0.00001 -0.00007 -0.00001 0.00000 171 5ZZ -0.00003 0.00013 0.00017 0.00003 0.00000 172 5XY -0.00001 0.00000 0.00003 0.00000 0.00000 173 5XZ 0.00010 0.00003 0.00019 0.00006 0.00000 174 5YZ 0.00002 0.00001 0.00006 0.00001 0.00000 21 22 23 24 25 21 2S 2.18957 22 2PX 0.00000 2.00062 23 2PY 0.00000 0.00000 2.00842 24 2PZ 0.00000 0.00000 0.00000 1.99289 25 3S -0.02433 0.00000 0.00000 0.00000 0.61154 26 3PX 0.00000 -0.00260 0.00000 0.00000 0.00000 27 3PY 0.00000 0.00000 -0.00758 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.00213 0.00000 29 4S -0.00353 0.00000 0.00000 0.00000 -0.01792 30 4PX 0.00000 -0.00126 0.00000 0.00000 0.00000 31 4PY 0.00000 0.00000 -0.00062 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00000 -0.00114 0.00000 33 5XX -0.00395 0.00000 0.00000 0.00000 -0.01180 34 5YY -0.00523 0.00000 0.00000 0.00000 0.00414 35 5ZZ -0.00284 0.00000 0.00000 0.00000 -0.03210 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 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00000 0.00000 0.00000 0.00000 0.00000 41 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 42 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 44 3S 0.00000 0.00000 0.00000 0.00000 0.00000 45 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 46 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 47 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 4S 0.00000 0.00000 0.00000 0.00000 0.00000 49 4PX 0.00000 0.00000 0.00000 0.00000 -0.00001 50 4PY 0.00000 0.00000 0.00000 0.00000 0.00002 51 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 52 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 53 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 54 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 -0.00015 60 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 61 2PY 0.00000 0.00000 0.00000 0.00000 -0.00179 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S -0.00008 0.00000 -0.00036 0.00000 -0.00098 64 3PX -0.00003 -0.00009 -0.00004 0.00000 0.00030 65 3PY -0.00185 -0.00003 -0.00271 0.00000 0.06456 66 3PZ 0.00000 0.00000 0.00000 -0.00012 0.00000 67 4S 0.00030 0.00000 -0.00015 0.00000 -0.01722 68 4PX -0.00012 -0.00046 -0.00008 0.00000 0.00023 69 4PY -0.00737 -0.00007 -0.00419 0.00000 0.06029 70 4PZ 0.00000 0.00000 0.00000 -0.00062 0.00000 71 5XX 0.00000 0.00000 0.00000 0.00000 -0.00079 72 5YY -0.00006 0.00000 -0.00006 0.00000 0.00498 73 5ZZ 0.00000 0.00000 0.00000 0.00000 -0.00083 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00004 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3S 0.00000 0.00000 0.00000 0.00000 0.00000 80 4S 0.00000 0.00000 0.00000 0.00000 0.00000 81 5S 0.00000 0.00000 0.00000 0.00000 0.00000 82 6S 0.00000 0.00000 0.00000 0.00000 -0.00001 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 90 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00000 0.00000 0.00000 0.00000 -0.00001 93 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 96 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 97 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 102 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 103 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 -0.00010 109 3S 0.00000 0.00000 0.00000 0.00000 0.00018 110 4S 0.00000 0.00000 0.00000 0.00000 0.00071 111 5S -0.00004 -0.00011 -0.00007 0.00000 0.00085 112 6S 0.00053 0.00022 0.00010 0.00000 -0.02320 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00002 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00001 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 -0.00167 117 8PY 0.00000 0.00000 0.00000 0.00000 -0.00117 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX -0.00055 -0.00038 -0.00049 0.00000 0.02847 120 9PY -0.00032 -0.00047 -0.00010 0.00000 0.02076 121 9PZ 0.00000 0.00000 0.00000 -0.00005 0.00000 122 10PX -0.00615 -0.00123 -0.00221 0.00000 0.05074 123 10PY -0.00361 -0.00211 -0.00020 0.00000 0.03785 124 10PZ 0.00000 0.00000 0.00000 -0.00063 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 -0.00048 126 11YY 0.00000 0.00000 0.00000 0.00000 -0.00035 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00012 128 11XY 0.00000 0.00000 0.00000 0.00000 -0.00017 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX -0.00034 -0.00015 -0.00026 0.00000 0.00556 132 12YY -0.00013 -0.00020 -0.00001 0.00000 0.00317 133 12ZZ 0.00000 -0.00001 0.00000 0.00000 -0.00027 134 12XY -0.00043 -0.00020 -0.00006 0.00000 0.00434 135 12XZ 0.00000 0.00000 0.00000 -0.00004 0.00000 136 12YZ 0.00000 0.00000 0.00000 -0.00002 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 0.00009 139 2PX 0.00000 0.00000 0.00000 0.00000 -0.00032 140 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 141 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00028 142 3S 0.00000 -0.00003 0.00000 -0.00005 -0.00296 143 3PX -0.00022 -0.00015 -0.00004 -0.00029 0.01175 144 3PY -0.00004 -0.00004 0.00000 -0.00005 0.00193 145 3PZ -0.00021 -0.00026 -0.00004 -0.00020 0.01214 146 4S -0.00018 -0.00009 -0.00001 -0.00018 -0.00402 147 4PX -0.00169 -0.00033 -0.00014 -0.00101 0.01425 148 4PY -0.00028 -0.00015 -0.00006 -0.00016 0.00240 149 4PZ -0.00188 -0.00097 -0.00015 -0.00060 0.01453 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00013 151 5YY 0.00000 0.00000 0.00000 0.00000 -0.00031 152 5ZZ 0.00000 -0.00001 0.00000 0.00000 0.00071 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00006 154 5XZ -0.00001 0.00000 0.00000 -0.00001 0.00073 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00011 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00009 158 2PX 0.00000 0.00000 0.00000 0.00000 -0.00032 159 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 160 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00028 161 3S 0.00000 -0.00003 0.00000 -0.00005 -0.00296 162 3PX -0.00022 -0.00015 -0.00004 -0.00029 0.01174 163 3PY -0.00004 -0.00004 0.00000 -0.00005 0.00193 164 3PZ -0.00021 -0.00026 -0.00004 -0.00020 0.01213 165 4S -0.00018 -0.00009 -0.00001 -0.00018 -0.00402 166 4PX -0.00169 -0.00033 -0.00014 -0.00101 0.01424 167 4PY -0.00028 -0.00015 -0.00006 -0.00016 0.00240 168 4PZ -0.00188 -0.00097 -0.00015 -0.00060 0.01452 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00013 170 5YY 0.00000 0.00000 0.00000 0.00000 -0.00031 171 5ZZ 0.00000 -0.00001 0.00000 0.00000 0.00071 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00006 173 5XZ -0.00001 0.00000 0.00000 -0.00001 0.00073 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00011 26 27 28 29 30 26 3PX 0.19531 27 3PY 0.00000 0.24756 28 3PZ 0.00000 0.00000 0.13323 29 4S 0.00000 0.00000 0.00000 0.03775 30 4PX 0.01153 0.00000 0.00000 0.00000 0.04392 31 4PY 0.00000 -0.00281 0.00000 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00912 0.00000 0.00000 33 5XX 0.00000 0.00000 0.00000 -0.00321 0.00000 34 5YY 0.00000 0.00000 0.00000 0.00459 0.00000 35 5ZZ 0.00000 0.00000 0.00000 0.00029 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 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00000 0.00000 0.00000 -0.00002 -0.00001 41 2PX 0.00000 0.00000 0.00000 0.00001 0.00001 42 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 44 3S 0.00000 0.00000 0.00000 0.00009 0.00007 45 3PX -0.00001 -0.00001 0.00000 -0.00052 -0.00059 46 3PY 0.00000 0.00000 0.00000 0.00017 0.00001 47 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 4S 0.00006 -0.00002 0.00000 -0.00004 0.00006 49 4PX -0.00007 -0.00010 0.00000 -0.00132 -0.00109 50 4PY 0.00006 -0.00003 0.00000 0.00032 0.00003 51 4PZ 0.00000 0.00000 0.00003 0.00000 0.00000 52 5XX 0.00000 0.00000 0.00000 -0.00001 -0.00001 53 5YY 0.00000 0.00000 0.00000 0.00002 0.00001 54 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 5XY 0.00000 0.00000 0.00000 -0.00001 -0.00001 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00006 0.00000 -0.00006 0.00000 59 2S -0.00002 -0.00212 0.00000 0.00189 -0.00007 60 2PX -0.00026 -0.00006 0.00000 -0.00002 -0.00040 61 2PY -0.00004 -0.00354 0.00000 0.00009 -0.00001 62 2PZ 0.00000 0.00000 -0.00033 0.00000 0.00000 63 3S 0.00015 0.01899 0.00000 -0.00755 0.00009 64 3PX 0.00969 0.00180 0.00000 0.00101 0.01911 65 3PY 0.00114 0.09570 0.00000 -0.00157 0.00019 66 3PZ 0.00000 0.00000 0.01224 0.00000 0.00000 67 4S -0.00003 -0.01612 0.00000 -0.00370 -0.00004 68 4PX 0.01284 0.00130 0.00000 0.00156 0.02928 69 4PY 0.00088 0.05016 0.00000 -0.00155 0.00022 70 4PZ 0.00000 0.00000 0.01796 0.00000 0.00000 71 5XX -0.00002 -0.00111 0.00000 0.00014 -0.00003 72 5YY 0.00009 0.00560 0.00000 -0.00042 0.00005 73 5ZZ -0.00002 -0.00116 0.00000 0.00007 0.00000 74 5XY 0.00047 0.00012 0.00000 0.00001 0.00019 75 5XZ 0.00000 0.00000 0.00001 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00049 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 79 3S 0.00000 0.00000 0.00000 0.00001 0.00007 80 4S 0.00000 0.00000 0.00000 0.00002 0.00021 81 5S 0.00000 0.00000 0.00000 0.00009 0.00015 82 6S 0.00007 0.00000 0.00000 -0.00015 0.00017 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00001 87 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX -0.00001 0.00000 0.00000 -0.00027 -0.00064 90 9PY 0.00000 0.00000 0.00000 0.00003 0.00004 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX -0.00015 0.00000 0.00000 -0.00126 -0.00208 93 10PY 0.00001 0.00000 0.00000 0.00010 0.00011 94 10PZ 0.00000 0.00000 0.00003 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00000 0.00000 -0.00007 96 11YY 0.00000 0.00000 0.00000 -0.00003 -0.00012 97 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.00007 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX -0.00001 0.00000 0.00000 -0.00004 -0.00030 102 12YY 0.00000 0.00000 0.00000 0.00004 -0.00008 103 12ZZ 0.00000 0.00000 0.00000 0.00000 -0.00012 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S -0.00001 0.00000 0.00000 -0.00007 -0.00005 108 2S 0.00024 0.00013 0.00000 0.00230 0.00151 109 3S -0.00073 -0.00042 0.00000 -0.00410 -0.00281 110 4S -0.00228 -0.00131 0.00000 -0.01124 -0.00764 111 5S 0.01017 0.00657 0.00000 -0.00199 0.00244 112 6S -0.02104 -0.01382 0.00000 -0.01173 -0.01117 113 7PX 0.00002 0.00004 0.00000 -0.00001 0.00000 114 7PY 0.00003 0.00001 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 116 8PX -0.00135 -0.00218 0.00000 -0.00015 0.00009 117 8PY -0.00200 -0.00030 0.00000 0.00029 -0.00040 118 8PZ 0.00000 0.00000 -0.00045 0.00000 0.00000 119 9PX 0.01795 0.03197 0.00000 0.00564 -0.00074 120 9PY 0.02931 0.00346 0.00000 -0.00490 0.00733 121 9PZ 0.00000 0.00000 0.00817 0.00000 0.00000 122 10PX 0.01350 0.04004 0.00000 0.01162 0.00305 123 10PY 0.03635 0.00059 0.00000 -0.01216 0.01320 124 10PZ 0.00000 0.00000 0.02017 0.00000 0.00000 125 11XX 0.00051 0.00002 0.00000 0.00386 0.00345 126 11YY 0.00049 0.00044 0.00000 0.00502 0.00220 127 11ZZ 0.00083 0.00048 0.00000 0.00431 0.00284 128 11XY -0.00012 -0.00005 0.00000 -0.00001 0.00000 129 11XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 130 11YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 131 12XX 0.00376 0.00663 0.00000 0.00751 0.00239 132 12YY 0.00609 0.00087 0.00000 0.00514 0.00639 133 12ZZ 0.00180 0.00115 0.00000 0.00561 0.00409 134 12XY 0.00179 0.00053 0.00000 -0.00009 0.00001 135 12XZ 0.00000 0.00000 0.00093 0.00000 0.00000 136 12YZ 0.00000 0.00000 0.00055 0.00000 0.00000 137 7 Cl 1S 0.00001 0.00000 0.00001 -0.00003 -0.00002 138 2S -0.00029 -0.00004 -0.00050 0.00092 0.00079 139 2PX -0.00025 -0.00010 -0.00061 0.00018 -0.00002 140 2PY -0.00010 -0.00003 -0.00010 0.00003 0.00001 141 2PZ -0.00060 -0.00009 -0.00032 0.00003 0.00005 142 3S 0.00309 0.00042 0.00470 -0.00413 -0.00452 143 3PX 0.00678 0.00315 0.02042 -0.00028 0.00069 144 3PY 0.00322 0.00127 0.00323 -0.00009 0.00027 145 3PZ 0.01994 0.00308 0.00933 -0.00134 -0.00107 146 4S -0.00296 -0.00060 0.00044 -0.00471 -0.00638 147 4PX 0.00261 0.00267 0.01715 -0.00236 0.00260 148 4PY 0.00276 0.00177 0.00268 -0.00035 0.00006 149 4PZ 0.01663 0.00253 0.00541 -0.00192 -0.00203 150 5XX -0.00035 0.00006 0.00025 0.00005 0.00005 151 5YY -0.00018 -0.00007 -0.00017 0.00010 0.00016 152 5ZZ 0.00138 0.00021 0.00024 -0.00018 -0.00012 153 5XY 0.00002 0.00005 0.00006 0.00000 0.00000 154 5XZ 0.00023 0.00013 0.00043 0.00001 0.00000 155 5YZ 0.00013 0.00007 0.00007 0.00000 0.00000 156 8 Cl 1S 0.00001 0.00000 0.00001 -0.00003 -0.00002 157 2S -0.00029 -0.00004 -0.00050 0.00092 0.00079 158 2PX -0.00025 -0.00010 -0.00061 0.00018 -0.00002 159 2PY -0.00010 -0.00003 -0.00010 0.00003 0.00001 160 2PZ -0.00060 -0.00009 -0.00032 0.00003 0.00005 161 3S 0.00309 0.00042 0.00470 -0.00413 -0.00452 162 3PX 0.00678 0.00315 0.02041 -0.00028 0.00069 163 3PY 0.00322 0.00127 0.00322 -0.00009 0.00027 164 3PZ 0.01994 0.00308 0.00933 -0.00133 -0.00107 165 4S -0.00296 -0.00060 0.00044 -0.00471 -0.00638 166 4PX 0.00261 0.00267 0.01715 -0.00236 0.00260 167 4PY 0.00276 0.00177 0.00268 -0.00035 0.00006 168 4PZ 0.01663 0.00253 0.00541 -0.00192 -0.00203 169 5XX -0.00035 0.00006 0.00025 0.00005 0.00005 170 5YY -0.00018 -0.00007 -0.00017 0.00010 0.00016 171 5ZZ 0.00138 0.00021 0.00024 -0.00018 -0.00012 172 5XY 0.00002 0.00005 0.00006 0.00000 0.00000 173 5XZ 0.00023 0.00013 0.00043 0.00001 0.00000 174 5YZ 0.00013 0.00007 0.00007 0.00000 0.00000 31 32 33 34 35 31 4PY 0.02399 32 4PZ 0.00000 0.02010 33 5XX 0.00000 0.00000 0.01413 34 5YY 0.00000 0.00000 -0.00410 0.01904 35 5ZZ 0.00000 0.00000 0.00091 -0.00234 0.01159 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 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S -0.00005 0.00000 0.00000 0.00000 0.00000 41 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 42 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 44 3S 0.00018 0.00000 0.00000 0.00000 0.00000 45 3PX -0.00019 0.00000 0.00000 0.00000 0.00000 46 3PY 0.00006 0.00000 0.00000 0.00000 0.00000 47 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 48 4S -0.00018 0.00000 0.00001 -0.00001 0.00000 49 4PX -0.00042 0.00000 -0.00001 -0.00001 0.00000 50 4PY -0.00008 0.00000 -0.00001 -0.00002 0.00001 51 4PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 52 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 53 5YY 0.00001 0.00000 0.00000 0.00000 0.00000 54 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S -0.00007 0.00000 0.00000 0.00002 0.00000 59 2S 0.00209 0.00000 0.00001 -0.00087 0.00000 60 2PX 0.00000 0.00000 0.00000 -0.00004 0.00000 61 2PY 0.00011 0.00000 0.00002 -0.00115 0.00001 62 2PZ 0.00000 -0.00024 0.00000 0.00000 0.00000 63 3S -0.00769 0.00000 -0.00065 0.00942 -0.00046 64 3PX 0.00009 0.00000 0.00012 0.00114 -0.00004 65 3PY -0.00293 0.00000 -0.00357 0.02499 -0.00249 66 3PZ 0.00000 0.01030 0.00000 0.00000 0.00000 67 4S -0.00821 0.00000 -0.00033 0.00339 0.00000 68 4PX 0.00022 0.00000 -0.00002 0.00081 -0.00013 69 4PY -0.00179 0.00000 -0.00781 0.01359 -0.00557 70 4PZ 0.00000 0.01591 0.00000 0.00000 0.00000 71 5XX 0.00035 0.00000 0.00003 -0.00024 0.00001 72 5YY -0.00039 0.00000 -0.00011 0.00116 -0.00010 73 5ZZ 0.00024 0.00000 0.00001 -0.00023 0.00003 74 5XY 0.00000 0.00000 0.00001 0.00006 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00011 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3S 0.00001 0.00000 0.00000 0.00000 0.00000 80 4S 0.00002 0.00000 0.00000 0.00000 0.00000 81 5S 0.00000 0.00000 0.00000 0.00000 0.00000 82 6S 0.00000 0.00000 0.00000 0.00000 0.00000 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00002 0.00000 0.00000 0.00000 0.00000 90 9PY 0.00008 0.00000 0.00000 0.00000 0.00000 91 9PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 92 10PX 0.00007 0.00000 -0.00007 0.00000 0.00001 93 10PY 0.00035 0.00000 0.00000 0.00000 0.00000 94 10PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 95 11XX -0.00001 0.00000 0.00000 0.00000 0.00000 96 11YY -0.00001 0.00000 0.00000 0.00000 0.00000 97 11ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX -0.00002 0.00000 0.00000 0.00000 0.00000 102 12YY -0.00001 0.00000 0.00000 0.00000 0.00000 103 12ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 104 12XY 0.00001 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S -0.00006 0.00000 0.00000 0.00000 0.00000 108 2S 0.00193 0.00000 0.00003 0.00000 0.00000 109 3S -0.00351 0.00000 -0.00009 -0.00001 0.00000 110 4S -0.00954 0.00000 -0.00033 -0.00003 0.00001 111 5S 0.00099 0.00000 0.00132 0.00010 -0.00025 112 6S -0.00927 0.00000 0.00142 0.00019 0.00040 113 7PX -0.00001 0.00000 0.00000 0.00001 0.00000 114 7PY 0.00000 0.00000 0.00001 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX -0.00023 0.00000 0.00010 -0.00023 0.00001 117 8PY -0.00016 0.00000 -0.00047 0.00014 0.00000 118 8PZ 0.00000 -0.00061 0.00000 0.00000 0.00000 119 9PX 0.00518 0.00000 -0.00217 0.00387 -0.00094 120 9PY 0.00343 0.00000 0.00778 -0.00224 -0.00049 121 9PZ 0.00000 0.01072 0.00000 0.00000 0.00000 122 10PX 0.00925 0.00000 -0.00372 0.00817 -0.00450 123 10PY 0.01226 0.00000 0.01279 -0.00499 -0.00212 124 10PZ 0.00000 0.02612 0.00000 0.00000 0.00000 125 11XX 0.00326 0.00000 0.00013 0.00001 0.00000 126 11YY 0.00395 0.00000 0.00008 0.00002 0.00000 127 11ZZ 0.00353 0.00000 0.00006 0.00000 -0.00001 128 11XY 0.00000 0.00000 0.00001 0.00002 0.00000 129 11XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 130 11YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 131 12XX 0.00658 0.00000 -0.00006 0.00057 -0.00027 132 12YY 0.00275 0.00000 0.00085 -0.00012 -0.00016 133 12ZZ 0.00454 0.00000 0.00007 0.00001 -0.00004 134 12XY 0.00006 0.00000 0.00029 -0.00012 -0.00020 135 12XZ 0.00000 0.00034 0.00000 0.00000 0.00000 136 12YZ 0.00000 0.00024 0.00000 0.00000 0.00000 137 7 Cl 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 138 2S 0.00013 0.00074 -0.00001 0.00001 -0.00010 139 2PX 0.00002 0.00008 0.00001 0.00001 -0.00011 140 2PY -0.00009 0.00001 -0.00002 -0.00001 -0.00002 141 2PZ 0.00001 0.00000 -0.00009 0.00001 0.00000 142 3S -0.00066 -0.00392 0.00017 -0.00030 0.00181 143 3PX 0.00015 -0.00136 -0.00063 -0.00087 0.00467 144 3PY 0.00399 -0.00020 0.00082 0.00031 0.00076 145 3PZ -0.00029 0.00023 0.00386 -0.00085 -0.00060 146 4S -0.00109 -0.00610 0.00027 -0.00077 0.00179 147 4PX -0.00013 -0.00252 -0.00065 -0.00233 0.00543 148 4PY 0.00640 -0.00041 0.00121 -0.00028 0.00087 149 4PZ -0.00042 0.00167 0.00465 -0.00210 -0.00056 150 5XX 0.00002 0.00019 -0.00002 0.00001 -0.00002 151 5YY 0.00002 0.00015 -0.00004 0.00001 0.00000 152 5ZZ -0.00003 -0.00028 0.00022 -0.00004 -0.00003 153 5XY 0.00000 0.00000 0.00000 0.00000 -0.00001 154 5XZ 0.00000 0.00000 -0.00005 -0.00003 0.00010 155 5YZ 0.00004 0.00000 0.00001 0.00001 0.00002 156 8 Cl 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 157 2S 0.00013 0.00074 -0.00001 0.00001 -0.00010 158 2PX 0.00002 0.00008 0.00001 0.00001 -0.00011 159 2PY -0.00009 0.00001 -0.00002 -0.00001 -0.00002 160 2PZ 0.00001 0.00000 -0.00009 0.00001 0.00000 161 3S -0.00066 -0.00392 0.00017 -0.00030 0.00181 162 3PX 0.00015 -0.00136 -0.00063 -0.00087 0.00467 163 3PY 0.00398 -0.00020 0.00082 0.00031 0.00076 164 3PZ -0.00029 0.00023 0.00386 -0.00085 -0.00060 165 4S -0.00109 -0.00610 0.00027 -0.00077 0.00179 166 4PX -0.00013 -0.00252 -0.00065 -0.00233 0.00543 167 4PY 0.00640 -0.00041 0.00121 -0.00028 0.00087 168 4PZ -0.00042 0.00167 0.00464 -0.00210 -0.00056 169 5XX 0.00002 0.00019 -0.00002 0.00001 -0.00002 170 5YY 0.00002 0.00015 -0.00004 0.00001 0.00000 171 5ZZ -0.00003 -0.00028 0.00022 -0.00004 -0.00003 172 5XY 0.00000 0.00000 0.00000 0.00000 -0.00001 173 5XZ 0.00000 0.00000 -0.00005 -0.00003 0.00010 174 5YZ 0.00004 0.00000 0.00001 0.00001 0.00002 36 37 38 39 40 36 5XY 0.01846 37 5XZ 0.00000 0.01513 38 5YZ 0.00000 0.00000 0.01162 39 3 Cl 1S 0.00000 0.00000 0.00000 2.16060 40 2S 0.00000 0.00000 0.00000 -0.16506 2.38949 41 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 42 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 44 3S 0.00000 0.00000 0.00000 0.00052 -0.14827 45 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 46 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 47 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 48 4S 0.00000 0.00000 0.00000 0.00245 -0.07617 49 4PX -0.00002 0.00000 0.00000 0.00000 0.00000 50 4PY -0.00001 0.00000 0.00000 0.00000 0.00000 51 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 52 5XX 0.00000 0.00000 0.00000 0.00006 -0.00365 53 5YY 0.00000 0.00000 0.00000 0.00006 -0.00489 54 5ZZ 0.00000 0.00000 0.00000 0.00006 -0.00369 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S -0.00003 0.00000 0.00000 0.00000 0.00000 60 2PX -0.00020 0.00000 0.00000 0.00000 0.00000 61 2PY -0.00007 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 -0.00022 0.00000 0.00000 63 3S 0.00030 0.00000 0.00000 0.00000 0.00000 64 3PX 0.00873 0.00000 0.00000 0.00000 0.00000 65 3PY 0.00160 0.00000 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00014 0.00931 0.00000 0.00000 67 4S 0.00010 0.00000 0.00000 0.00000 0.00000 68 4PX 0.00957 0.00000 0.00000 0.00000 0.00000 69 4PY 0.00060 0.00000 0.00000 0.00000 0.00000 70 4PZ 0.00000 0.00012 0.01038 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00008 0.00000 0.00000 0.00000 0.00000 73 5ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 74 5XY 0.00022 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00001 0.00001 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00030 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3S 0.00000 0.00000 0.00000 0.00000 0.00000 80 4S 0.00000 0.00000 0.00000 0.00000 0.00000 81 5S 0.00000 0.00000 0.00000 0.00000 0.00000 82 6S 0.00000 0.00000 0.00000 0.00000 0.00000 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 90 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 10PY 0.00000 0.00000 0.00000 0.00000 0.00001 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 96 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 97 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 102 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 103 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00004 0.00000 0.00000 0.00000 0.00000 109 3S -0.00018 0.00000 0.00000 0.00000 0.00000 110 4S -0.00072 0.00000 0.00000 0.00000 0.00000 111 5S 0.00342 0.00000 0.00000 0.00000 0.00000 112 6S 0.00114 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00001 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00001 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX -0.00078 0.00000 0.00000 0.00000 0.00000 117 8PY -0.00031 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 -0.00015 -0.00009 0.00000 0.00000 119 9PX 0.01043 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00369 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00355 0.00199 0.00000 0.00000 122 10PX 0.00571 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00119 0.00000 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00674 0.00401 0.00000 0.00000 125 11XX 0.00015 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00017 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00014 0.00000 0.00000 0.00000 0.00000 128 11XY -0.00003 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 130 11YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 131 12XX 0.00099 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00023 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00011 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00045 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00024 0.00032 0.00000 0.00000 136 12YZ 0.00000 0.00024 0.00007 0.00000 0.00000 137 7 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00003 -0.00020 -0.00003 0.00000 0.00000 139 2PX -0.00004 -0.00015 -0.00005 0.00000 0.00000 140 2PY 0.00000 -0.00005 0.00000 0.00000 0.00000 141 2PZ -0.00006 -0.00020 -0.00003 0.00000 0.00000 142 3S 0.00034 0.00278 0.00045 0.00000 0.00000 143 3PX 0.00111 0.00472 0.00191 0.00000 0.00000 144 3PY 0.00045 0.00189 0.00050 0.00000 0.00000 145 3PZ 0.00208 0.00641 0.00103 0.00000 0.00000 146 4S 0.00027 0.00197 0.00032 0.00000 0.00000 147 4PX 0.00045 0.00158 0.00132 0.00000 0.00000 148 4PY 0.00084 0.00130 0.00119 0.00000 0.00001 149 4PZ 0.00130 0.00277 0.00045 0.00000 0.00000 150 5XX -0.00003 -0.00004 0.00001 0.00000 0.00000 151 5YY -0.00001 -0.00007 -0.00001 0.00000 0.00000 152 5ZZ 0.00013 0.00017 0.00003 0.00000 0.00000 153 5XY 0.00000 0.00003 0.00000 0.00000 0.00000 154 5XZ 0.00003 0.00019 0.00006 0.00000 0.00000 155 5YZ 0.00001 0.00006 0.00001 0.00000 0.00000 156 8 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00003 -0.00020 -0.00003 0.00000 0.00000 158 2PX -0.00004 -0.00015 -0.00005 0.00000 0.00000 159 2PY 0.00000 -0.00005 0.00000 0.00000 0.00000 160 2PZ -0.00006 -0.00020 -0.00003 0.00000 0.00000 161 3S 0.00034 0.00277 0.00045 0.00000 0.00000 162 3PX 0.00111 0.00472 0.00191 0.00000 0.00000 163 3PY 0.00045 0.00189 0.00050 0.00000 0.00000 164 3PZ 0.00208 0.00641 0.00103 0.00000 0.00000 165 4S 0.00027 0.00197 0.00032 0.00000 0.00000 166 4PX 0.00045 0.00158 0.00132 0.00000 0.00000 167 4PY 0.00084 0.00130 0.00119 0.00000 0.00001 168 4PZ 0.00130 0.00277 0.00045 0.00000 0.00000 169 5XX -0.00003 -0.00004 0.00001 0.00000 0.00000 170 5YY -0.00001 -0.00007 -0.00001 0.00000 0.00000 171 5ZZ 0.00013 0.00017 0.00003 0.00000 0.00000 172 5XY 0.00000 0.00003 0.00000 0.00000 0.00000 173 5XZ 0.00003 0.00019 0.00006 0.00000 0.00000 174 5YZ 0.00001 0.00006 0.00001 0.00000 0.00000 41 42 43 44 45 41 2PX 2.11893 42 2PY 0.00000 2.09615 43 2PZ 0.00000 0.00000 2.11805 44 3S 0.00000 0.00000 0.00000 1.20401 45 3PX -0.11036 0.00000 0.00000 0.00000 1.01778 46 3PY 0.00000 -0.08990 0.00000 0.00000 0.00000 47 3PZ 0.00000 0.00000 -0.10931 0.00000 0.00000 48 4S 0.00000 0.00000 0.00000 0.42072 0.00000 49 4PX -0.01598 0.00000 0.00000 0.00000 0.32428 50 4PY 0.00000 -0.00992 0.00000 0.00000 0.00000 51 4PZ 0.00000 0.00000 -0.01626 0.00000 0.00000 52 5XX 0.00000 0.00000 0.00000 -0.01415 0.00000 53 5YY 0.00000 0.00000 0.00000 -0.00262 0.00000 54 5ZZ 0.00000 0.00000 0.00000 -0.01377 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.00000 0.00000 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.00000 0.00000 0.00000 68 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 69 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 73 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3S 0.00000 0.00000 0.00000 0.00000 0.00000 80 4S 0.00000 0.00000 0.00000 0.00000 0.00000 81 5S 0.00000 0.00000 0.00000 0.00000 0.00000 82 6S 0.00000 0.00000 0.00000 0.00003 -0.00025 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 90 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00000 0.00000 0.00000 0.00001 -0.00001 93 10PY 0.00001 0.00002 0.00000 -0.00027 -0.00067 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 96 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 97 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 102 12YY 0.00000 0.00000 0.00000 0.00000 0.00002 103 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 -0.00001 145 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 146 4S 0.00000 0.00000 0.00000 0.00003 -0.00027 147 4PX 0.00000 0.00001 0.00001 -0.00001 -0.00011 148 4PY 0.00001 0.00001 0.00001 -0.00024 -0.00066 149 4PZ 0.00000 0.00000 0.00000 -0.00003 -0.00029 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 -0.00001 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 165 4S 0.00000 0.00000 0.00000 0.00003 -0.00027 166 4PX 0.00000 0.00001 0.00001 -0.00001 -0.00011 167 4PY 0.00001 0.00001 0.00001 -0.00024 -0.00066 168 4PZ 0.00000 0.00000 0.00000 -0.00003 -0.00029 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 46 47 48 49 50 46 3PY 0.84669 47 3PZ 0.00000 1.00481 48 4S 0.00000 0.00000 0.24557 49 4PX 0.00000 0.00000 0.00000 0.26788 50 4PY 0.19207 0.00000 0.00000 0.00000 0.11505 51 4PZ 0.00000 0.33386 0.00000 0.00000 0.00000 52 5XX 0.00000 0.00000 -0.00290 0.00000 0.00000 53 5YY 0.00000 0.00000 -0.00432 0.00000 0.00000 54 5ZZ 0.00000 0.00000 -0.00257 0.00000 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.00000 0.00000 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.00000 0.00000 0.00000 68 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 69 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 73 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3S 0.00000 0.00000 0.00000 0.00001 0.00001 80 4S 0.00000 0.00000 -0.00001 0.00003 0.00003 81 5S 0.00000 0.00000 0.00005 0.00003 -0.00008 82 6S 0.00001 0.00000 -0.00015 -0.00158 0.00000 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00001 0.00001 0.00003 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00000 0.00010 0.00000 -0.00010 90 9PY -0.00001 0.00000 -0.00023 -0.00046 -0.00101 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX -0.00017 0.00000 0.00076 0.00001 -0.00011 93 10PY -0.00144 0.00000 -0.00202 -0.00358 -0.00532 94 10PZ 0.00000 -0.00012 0.00000 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00000 -0.00001 -0.00001 96 11YY 0.00000 0.00000 0.00001 -0.00001 -0.00001 97 11ZZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00005 0.00004 -0.00002 102 12YY 0.00000 0.00000 0.00003 0.00019 -0.00004 103 12ZZ 0.00000 0.00000 0.00002 0.00003 -0.00004 104 12XY 0.00001 0.00000 -0.00002 0.00000 0.00003 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 -0.00001 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 -0.00001 0.00001 -0.00001 123 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 0.00001 0.00001 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00001 0.00000 0.00005 -0.00008 -0.00016 143 3PX -0.00001 -0.00001 0.00004 -0.00004 -0.00031 144 3PY -0.00002 -0.00001 -0.00030 -0.00055 -0.00071 145 3PZ -0.00001 0.00000 0.00004 -0.00021 -0.00020 146 4S -0.00003 -0.00025 0.00007 -0.00109 -0.00004 147 4PX -0.00036 -0.00035 0.00025 -0.00019 -0.00083 148 4PY -0.00068 -0.00037 -0.00111 -0.00238 -0.00197 149 4PZ -0.00025 -0.00007 0.00016 -0.00098 -0.00048 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00000 0.00000 0.00000 0.00003 0.00001 152 5ZZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 153 5XY 0.00000 0.00000 0.00000 0.00000 0.00001 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 0.00000 -0.00001 0.00001 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 0.00001 0.00001 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00001 0.00000 0.00005 -0.00008 -0.00016 162 3PX -0.00001 -0.00001 0.00004 -0.00004 -0.00031 163 3PY -0.00002 -0.00001 -0.00030 -0.00055 -0.00071 164 3PZ -0.00001 0.00000 0.00004 -0.00021 -0.00020 165 4S -0.00003 -0.00025 0.00007 -0.00109 -0.00004 166 4PX -0.00036 -0.00035 0.00025 -0.00019 -0.00083 167 4PY -0.00069 -0.00037 -0.00111 -0.00238 -0.00197 168 4PZ -0.00025 -0.00007 0.00016 -0.00098 -0.00048 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00000 0.00000 0.00000 0.00003 0.00001 171 5ZZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00001 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 -0.00001 0.00001 0.00000 51 52 53 54 55 51 4PZ 0.28695 52 5XX 0.00000 0.00120 53 5YY 0.00000 -0.00011 0.00374 54 5ZZ 0.00000 0.00038 -0.00011 0.00114 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00115 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.00000 0.00000 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.00000 0.00000 0.00000 68 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 69 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 73 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3S 0.00000 0.00000 0.00000 0.00000 0.00000 80 4S 0.00000 0.00000 0.00000 0.00000 0.00000 81 5S 0.00000 0.00000 0.00000 0.00000 0.00000 82 6S 0.00000 0.00000 0.00000 0.00000 -0.00001 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 90 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 91 9PZ -0.00010 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 10PY 0.00000 0.00001 0.00003 0.00000 0.00002 94 10PZ -0.00124 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 96 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 97 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 102 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 103 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ -0.00001 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 0.00001 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00017 0.00000 0.00000 0.00000 0.00000 143 3PX -0.00024 0.00000 0.00000 0.00000 0.00000 144 3PY -0.00040 0.00000 0.00000 0.00000 0.00000 145 3PZ -0.00004 0.00000 0.00000 0.00000 0.00000 146 4S -0.00112 0.00000 0.00000 0.00000 -0.00001 147 4PX -0.00123 0.00000 0.00000 0.00000 0.00000 148 4PY -0.00118 0.00001 -0.00001 0.00001 0.00000 149 4PZ -0.00010 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00001 0.00000 0.00000 0.00000 0.00000 151 5YY 0.00002 0.00000 0.00000 0.00000 0.00000 152 5ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 153 5XY 0.00002 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 0.00001 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00017 0.00000 0.00000 0.00000 0.00000 162 3PX -0.00024 0.00000 0.00000 0.00000 0.00000 163 3PY -0.00040 0.00000 0.00000 0.00000 0.00000 164 3PZ -0.00004 0.00000 0.00000 0.00000 0.00000 165 4S -0.00112 0.00000 0.00000 0.00000 -0.00001 166 4PX -0.00123 0.00000 0.00000 0.00000 0.00000 167 4PY -0.00118 0.00001 -0.00001 0.00001 0.00000 168 4PZ -0.00010 0.00000 0.00000 0.00000 0.00000 169 5XX 0.00001 0.00000 0.00000 0.00000 0.00000 170 5YY 0.00002 0.00000 0.00000 0.00000 0.00000 171 5ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 172 5XY 0.00002 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 56 57 58 59 60 56 5XZ 0.00003 57 5YZ 0.00000 0.00112 58 4 Cl 1S 0.00000 0.00000 2.16060 59 2S 0.00000 0.00000 -0.16506 2.38949 60 2PX 0.00000 0.00000 0.00000 0.00000 2.11893 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.00052 -0.14827 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 -0.11036 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.00245 -0.07617 0.00000 68 4PX 0.00000 0.00000 0.00000 0.00000 -0.01598 69 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00006 -0.00365 0.00000 72 5YY 0.00000 0.00000 0.00006 -0.00489 0.00000 73 5ZZ 0.00000 0.00000 0.00006 -0.00369 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3S 0.00000 0.00000 0.00000 0.00000 0.00000 80 4S 0.00000 0.00000 0.00000 0.00000 0.00000 81 5S 0.00000 0.00000 0.00000 0.00000 0.00000 82 6S 0.00000 0.00000 0.00000 0.00000 0.00000 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 90 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 96 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 97 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 102 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 103 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00000 0.00000 0.00000 0.00001 0.00001 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 -0.00001 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 4PY 0.00001 0.00001 0.00000 0.00001 0.00001 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 -0.00001 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00001 0.00001 0.00000 0.00001 0.00001 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 61 62 63 64 65 61 2PY 2.09615 62 2PZ 0.00000 2.11805 63 3S 0.00000 0.00000 1.20401 64 3PX 0.00000 0.00000 0.00000 1.01777 65 3PY -0.08990 0.00000 0.00000 0.00000 0.84669 66 3PZ 0.00000 -0.10931 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.42072 0.00000 0.00000 68 4PX 0.00000 0.00000 0.00000 0.32428 0.00000 69 4PY -0.00992 0.00000 0.00000 0.00000 0.19207 70 4PZ 0.00000 -0.01626 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 -0.01415 0.00000 0.00000 72 5YY 0.00000 0.00000 -0.00262 0.00000 0.00000 73 5ZZ 0.00000 0.00000 -0.01377 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3S 0.00000 0.00000 0.00000 0.00000 0.00000 80 4S 0.00000 0.00000 0.00000 0.00000 0.00000 81 5S 0.00000 0.00000 0.00000 0.00000 0.00000 82 6S 0.00000 0.00000 0.00000 0.00000 0.00000 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 90 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 96 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 97 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 102 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 103 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00003 -0.00025 0.00001 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 -0.00001 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00001 -0.00001 -0.00017 123 10PY 0.00002 0.00000 -0.00027 -0.00067 -0.00144 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00002 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00001 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 -0.00001 143 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 144 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00002 145 3PZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 146 4S 0.00000 0.00000 0.00003 -0.00027 -0.00003 147 4PX 0.00001 0.00001 -0.00001 -0.00011 -0.00036 148 4PY 0.00001 0.00001 -0.00024 -0.00066 -0.00068 149 4PZ 0.00000 0.00000 -0.00003 -0.00029 -0.00025 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 -0.00001 162 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 163 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00002 164 3PZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 165 4S 0.00000 0.00000 0.00003 -0.00027 -0.00003 166 4PX 0.00001 0.00001 -0.00001 -0.00011 -0.00036 167 4PY 0.00001 0.00001 -0.00024 -0.00066 -0.00068 168 4PZ 0.00000 0.00000 -0.00003 -0.00029 -0.00025 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 3PZ 1.00481 67 4S 0.00000 0.24557 68 4PX 0.00000 0.00000 0.26788 69 4PY 0.00000 0.00000 0.00000 0.11505 70 4PZ 0.33386 0.00000 0.00000 0.00000 0.28695 71 5XX 0.00000 -0.00290 0.00000 0.00000 0.00000 72 5YY 0.00000 -0.00432 0.00000 0.00000 0.00000 73 5ZZ 0.00000 -0.00257 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3S 0.00000 0.00000 0.00000 0.00000 0.00000 80 4S 0.00000 0.00000 0.00000 0.00000 0.00000 81 5S 0.00000 0.00000 0.00000 0.00000 0.00000 82 6S 0.00000 0.00000 -0.00001 0.00000 0.00000 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 90 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00000 -0.00001 0.00001 -0.00001 0.00000 93 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 96 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 97 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 102 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 103 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00001 0.00001 0.00000 110 4S 0.00000 -0.00001 0.00003 0.00003 0.00000 111 5S 0.00000 0.00005 0.00003 -0.00008 0.00000 112 6S 0.00000 -0.00015 -0.00158 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00001 0.00001 0.00003 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00010 0.00000 -0.00010 0.00000 120 9PY 0.00000 -0.00023 -0.00046 -0.00101 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00010 122 10PX 0.00000 0.00076 0.00001 -0.00011 0.00000 123 10PY 0.00000 -0.00202 -0.00358 -0.00532 0.00000 124 10PZ -0.00012 0.00000 0.00000 0.00000 -0.00124 125 11XX 0.00000 0.00000 -0.00001 -0.00001 0.00000 126 11YY 0.00000 0.00001 -0.00001 -0.00001 0.00000 127 11ZZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00005 0.00004 -0.00002 0.00000 132 12YY 0.00000 0.00003 0.00019 -0.00004 0.00000 133 12ZZ 0.00000 0.00002 0.00003 -0.00004 0.00000 134 12XY 0.00000 -0.00002 0.00000 0.00003 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 136 12YZ 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 0.00001 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00001 0.00001 0.00001 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00005 -0.00008 -0.00016 -0.00017 143 3PX -0.00001 0.00004 -0.00004 -0.00031 -0.00024 144 3PY -0.00001 -0.00030 -0.00055 -0.00071 -0.00040 145 3PZ 0.00000 0.00004 -0.00021 -0.00020 -0.00004 146 4S -0.00025 0.00007 -0.00110 -0.00004 -0.00112 147 4PX -0.00035 0.00025 -0.00019 -0.00083 -0.00123 148 4PY -0.00037 -0.00111 -0.00238 -0.00197 -0.00118 149 4PZ -0.00007 0.00016 -0.00098 -0.00048 -0.00010 150 5XX 0.00000 0.00000 0.00000 0.00000 0.00001 151 5YY 0.00000 0.00000 0.00003 0.00001 0.00002 152 5ZZ 0.00000 0.00000 -0.00001 -0.00001 -0.00001 153 5XY 0.00000 0.00000 0.00000 0.00001 0.00002 154 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 5YZ 0.00000 -0.00001 0.00001 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 0.00001 0.00001 0.00001 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00005 -0.00008 -0.00016 -0.00017 162 3PX -0.00001 0.00004 -0.00004 -0.00031 -0.00024 163 3PY -0.00001 -0.00030 -0.00055 -0.00071 -0.00040 164 3PZ 0.00000 0.00004 -0.00021 -0.00020 -0.00004 165 4S -0.00025 0.00007 -0.00109 -0.00004 -0.00112 166 4PX -0.00035 0.00025 -0.00019 -0.00083 -0.00123 167 4PY -0.00037 -0.00111 -0.00238 -0.00197 -0.00118 168 4PZ -0.00007 0.00016 -0.00098 -0.00048 -0.00010 169 5XX 0.00000 0.00000 0.00000 0.00000 0.00001 170 5YY 0.00000 0.00000 0.00003 0.00001 0.00002 171 5ZZ 0.00000 0.00000 -0.00001 -0.00001 -0.00001 172 5XY 0.00000 0.00000 0.00000 0.00001 0.00002 173 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 5YZ 0.00000 -0.00001 0.00001 0.00000 0.00000 71 72 73 74 75 71 5XX 0.00120 72 5YY -0.00011 0.00374 73 5ZZ 0.00038 -0.00011 0.00114 74 5XY 0.00000 0.00000 0.00000 0.00115 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00003 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3S 0.00000 0.00000 0.00000 0.00000 0.00000 80 4S 0.00000 0.00000 0.00000 0.00000 0.00000 81 5S 0.00000 0.00000 0.00000 0.00000 0.00000 82 6S 0.00000 0.00000 0.00000 0.00000 0.00000 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 90 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 96 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 97 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 102 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 103 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 -0.00001 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00001 0.00003 0.00000 0.00002 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 0.00000 0.00000 148 4PY 0.00001 -0.00001 0.00001 0.00000 0.00001 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 -0.00001 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00001 -0.00001 0.00001 0.00000 0.00001 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 5YZ 0.00112 77 5 Br 1S 0.00000 2.39615 78 2S 0.00000 -0.50323 4.75259 79 3S 0.00000 0.07240 -1.88779 2.01410 80 4S 0.00000 0.06063 -1.79421 2.63362 4.46558 81 5S 0.00000 0.00348 -0.08530 0.03000 -0.04587 82 6S 0.00000 0.00280 -0.08177 0.10547 0.23031 83 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 90 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 92 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 11XX 0.00000 -0.00973 0.59284 -0.73022 -1.23023 96 11YY 0.00000 -0.00973 0.59289 -0.73061 -1.23075 97 11ZZ 0.00000 -0.00973 0.59321 -0.73118 -1.23231 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 -0.00001 0.00185 -0.01049 -0.05416 102 12YY 0.00000 -0.00001 0.00185 -0.01049 -0.05408 103 12ZZ 0.00000 -0.00001 0.00184 -0.01038 -0.05346 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 -0.00001 0.00000 0.00000 0.00000 0.00001 147 4PX 0.00000 0.00000 -0.00001 0.00002 0.00006 148 4PY 0.00001 0.00000 0.00000 0.00000 0.00001 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 -0.00001 0.00000 0.00000 0.00000 0.00001 166 4PX 0.00000 0.00000 -0.00001 0.00002 0.00006 167 4PY 0.00001 0.00000 0.00000 0.00000 0.00001 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 5S 1.01477 82 6S 0.54419 0.62911 83 7PX 0.00000 0.00000 2.30243 84 7PY 0.00000 0.00000 0.00000 2.30346 85 7PZ 0.00000 0.00000 0.00000 0.00000 2.30488 86 8PX 0.00000 0.00000 -0.30781 0.00000 0.00000 87 8PY 0.00000 0.00000 0.00000 -0.30888 0.00000 88 8PZ 0.00000 0.00000 0.00000 0.00000 -0.31038 89 9PX 0.00000 0.00000 0.00148 0.00000 0.00000 90 9PY 0.00000 0.00000 0.00000 0.00167 0.00000 91 9PZ 0.00000 0.00000 0.00000 0.00000 0.00190 92 10PX 0.00000 0.00000 0.00076 0.00000 0.00000 93 10PY 0.00000 0.00000 0.00000 0.00078 0.00000 94 10PZ 0.00000 0.00000 0.00000 0.00000 0.00087 95 11XX -0.08482 -0.11956 0.00000 0.00000 0.00000 96 11YY -0.08118 -0.12469 0.00000 0.00000 0.00000 97 11ZZ -0.07927 -0.12627 0.00000 0.00000 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX -0.01056 -0.09079 0.00000 0.00000 0.00000 102 12YY -0.01382 -0.08887 0.00000 0.00000 0.00000 103 12ZZ -0.01700 -0.08726 0.00000 0.00000 0.00000 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 0.00003 0.00000 0.00000 0.00000 143 3PX 0.00000 -0.00014 0.00000 0.00000 0.00000 144 3PY 0.00000 -0.00007 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00006 0.00000 0.00000 0.00000 146 4S 0.00002 0.00005 0.00000 0.00000 0.00000 147 4PX -0.00010 -0.00045 0.00000 0.00000 0.00000 148 4PY 0.00000 -0.00037 0.00000 0.00000 0.00000 149 4PZ -0.00003 0.00025 0.00000 0.00000 0.00000 150 5XX 0.00000 -0.00001 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 0.00003 0.00000 0.00000 0.00000 162 3PX 0.00000 -0.00014 0.00000 0.00000 0.00000 163 3PY 0.00000 -0.00007 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00006 0.00000 0.00000 0.00000 165 4S 0.00002 0.00005 0.00000 0.00000 0.00000 166 4PX -0.00010 -0.00045 0.00000 0.00000 0.00000 167 4PY 0.00000 -0.00037 0.00000 0.00000 0.00000 168 4PZ -0.00003 0.00025 0.00000 0.00000 0.00000 169 5XX 0.00000 -0.00001 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 8PX 2.44747 87 8PY 0.00000 2.45590 88 8PZ 0.00000 0.00000 2.46805 89 9PX -0.10999 0.00000 0.00000 0.64116 90 9PY 0.00000 -0.11592 0.00000 0.00000 0.66905 91 9PZ 0.00000 0.00000 -0.12403 0.00000 0.00000 92 10PX -0.03060 0.00000 0.00000 0.29905 0.00000 93 10PY 0.00000 -0.03358 0.00000 0.00000 0.33441 94 10PZ 0.00000 0.00000 -0.03870 0.00000 0.00000 95 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 96 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 97 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 102 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 103 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 -0.00002 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 146 4S 0.00001 0.00000 0.00000 -0.00024 0.00005 147 4PX 0.00004 0.00000 0.00002 -0.00118 0.00001 148 4PY 0.00000 0.00000 0.00000 -0.00008 -0.00001 149 4PZ 0.00001 0.00000 0.00000 -0.00037 0.00002 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 -0.00002 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 165 4S 0.00001 0.00000 0.00000 -0.00024 0.00005 166 4PX 0.00004 0.00000 0.00002 -0.00118 0.00001 167 4PY 0.00000 0.00000 0.00000 -0.00008 -0.00001 168 4PZ 0.00001 0.00000 0.00000 -0.00037 0.00002 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 9PZ 0.70635 92 10PX 0.00000 0.32999 93 10PY 0.00000 0.00000 0.39285 94 10PZ 0.38964 0.00000 0.00000 0.49475 95 11XX 0.00000 0.00000 0.00000 0.00000 2.71483 96 11YY 0.00000 0.00000 0.00000 0.00000 -0.08595 97 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.08588 98 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 99 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 12XX 0.00000 0.00000 0.00000 0.00000 0.05547 102 12YY 0.00000 0.00000 0.00000 0.00000 0.01423 103 12ZZ 0.00000 0.00000 0.00000 0.00000 0.01413 104 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 0.00001 0.00000 0.00001 0.00000 139 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00029 -0.00002 -0.00016 0.00000 143 3PX -0.00001 -0.00138 -0.00008 -0.00057 0.00000 144 3PY 0.00000 -0.00018 -0.00001 -0.00001 0.00000 145 3PZ 0.00000 -0.00039 0.00002 -0.00003 0.00000 146 4S -0.00017 -0.00167 0.00040 -0.00130 -0.00001 147 4PX -0.00047 -0.00564 0.00017 -0.00266 -0.00003 148 4PY 0.00003 -0.00069 -0.00007 0.00016 0.00000 149 4PZ -0.00004 -0.00174 0.00019 -0.00009 0.00000 150 5XX 0.00000 0.00006 0.00000 0.00005 0.00000 151 5YY 0.00000 -0.00001 0.00000 0.00000 0.00000 152 5ZZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 153 5XY 0.00000 0.00001 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00002 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 0.00001 0.00000 0.00001 0.00000 158 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 161 3S 0.00000 -0.00029 -0.00002 -0.00016 0.00000 162 3PX -0.00001 -0.00138 -0.00008 -0.00057 0.00000 163 3PY 0.00000 -0.00018 -0.00001 -0.00001 0.00000 164 3PZ 0.00000 -0.00039 0.00002 -0.00003 0.00000 165 4S -0.00017 -0.00167 0.00040 -0.00130 -0.00001 166 4PX -0.00047 -0.00564 0.00017 -0.00266 -0.00003 167 4PY 0.00003 -0.00069 -0.00007 0.00016 0.00000 168 4PZ -0.00004 -0.00174 0.00019 -0.00009 0.00000 169 5XX 0.00000 0.00006 0.00000 0.00005 0.00000 170 5YY 0.00000 -0.00001 0.00000 0.00000 0.00000 171 5ZZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 172 5XY 0.00000 0.00001 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00002 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 11YY 2.71560 97 11ZZ -0.08584 2.71676 98 11XY 0.00000 0.00000 1.98204 99 11XZ 0.00000 0.00000 0.00000 1.98235 100 11YZ 0.00000 0.00000 0.00000 0.00000 1.98248 101 12XX 0.01441 0.01454 0.00000 0.00000 0.00000 102 12YY 0.05608 0.01461 0.00000 0.00000 0.00000 103 12ZZ 0.01439 0.05594 0.00000 0.00000 0.00000 104 12XY 0.00000 0.00000 0.00866 0.00000 0.00000 105 12XZ 0.00000 0.00000 0.00000 0.00836 0.00000 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00831 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 -0.00001 -0.00001 0.00000 0.00000 0.00000 147 4PX -0.00002 -0.00002 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 -0.00001 -0.00001 0.00000 0.00000 0.00000 166 4PX -0.00002 -0.00002 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 12XX 0.08878 102 12YY 0.02772 0.08657 103 12ZZ 0.02749 0.02741 0.08287 104 12XY 0.00000 0.00000 0.00000 0.00307 105 12XZ 0.00000 0.00000 0.00000 0.00000 0.00246 106 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 6 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3S 0.00000 0.00000 0.00000 0.00000 0.00000 110 4S 0.00000 0.00000 0.00000 0.00000 0.00000 111 5S 0.00000 0.00000 0.00000 0.00000 0.00000 112 6S 0.00000 0.00000 0.00000 0.00000 0.00000 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 0.00001 0.00000 0.00000 0.00000 0.00001 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 -0.00011 0.00000 -0.00002 0.00000 -0.00003 147 4PX -0.00017 -0.00004 -0.00005 0.00001 0.00003 148 4PY 0.00001 0.00000 0.00001 0.00001 0.00002 149 4PZ -0.00004 0.00000 -0.00001 0.00001 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 0.00001 0.00000 0.00000 0.00000 0.00001 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 -0.00011 0.00000 -0.00002 0.00000 -0.00003 166 4PX -0.00017 -0.00004 -0.00005 0.00001 0.00003 167 4PY 0.00001 0.00000 0.00001 0.00001 0.00002 168 4PZ -0.00004 0.00000 -0.00001 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 106 107 108 109 110 106 12YZ 0.00186 107 6 Br 1S 0.00000 2.39615 108 2S 0.00000 -0.50323 4.75259 109 3S 0.00000 0.07240 -1.88779 2.01410 110 4S 0.00000 0.06063 -1.79421 2.63362 4.46558 111 5S 0.00000 0.00348 -0.08530 0.03000 -0.04587 112 6S 0.00000 0.00280 -0.08177 0.10547 0.23031 113 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 123 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 125 11XX 0.00000 -0.00973 0.59284 -0.73022 -1.23023 126 11YY 0.00000 -0.00973 0.59289 -0.73061 -1.23075 127 11ZZ 0.00000 -0.00973 0.59321 -0.73118 -1.23231 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 -0.00001 0.00185 -0.01049 -0.05416 132 12YY 0.00000 -0.00001 0.00185 -0.01049 -0.05408 133 12ZZ 0.00000 -0.00001 0.00184 -0.01038 -0.05346 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 -0.00001 0.00000 0.00000 0.00000 0.00001 147 4PX -0.00001 0.00000 -0.00001 0.00002 0.00006 148 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 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 -0.00001 0.00000 0.00000 0.00000 0.00001 166 4PX -0.00001 0.00000 -0.00001 0.00002 0.00006 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 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 5S 1.01477 112 6S 0.54419 0.62912 113 7PX 0.00000 0.00000 2.30243 114 7PY 0.00000 0.00000 0.00000 2.30346 115 7PZ 0.00000 0.00000 0.00000 0.00000 2.30488 116 8PX 0.00000 0.00000 -0.30781 0.00000 0.00000 117 8PY 0.00000 0.00000 0.00000 -0.30888 0.00000 118 8PZ 0.00000 0.00000 0.00000 0.00000 -0.31038 119 9PX 0.00000 0.00000 0.00148 0.00000 0.00000 120 9PY 0.00000 0.00000 0.00000 0.00167 0.00000 121 9PZ 0.00000 0.00000 0.00000 0.00000 0.00190 122 10PX 0.00000 0.00000 0.00076 0.00000 0.00000 123 10PY 0.00000 0.00000 0.00000 0.00078 0.00000 124 10PZ 0.00000 0.00000 0.00000 0.00000 0.00087 125 11XX -0.08481 -0.11956 0.00000 0.00000 0.00000 126 11YY -0.08118 -0.12469 0.00000 0.00000 0.00000 127 11ZZ -0.07927 -0.12627 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX -0.01057 -0.09079 0.00000 0.00000 0.00000 132 12YY -0.01382 -0.08887 0.00000 0.00000 0.00000 133 12ZZ -0.01700 -0.08726 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 0.00003 0.00000 0.00000 0.00000 143 3PX 0.00000 -0.00014 0.00000 0.00000 0.00000 144 3PY 0.00000 -0.00007 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00006 0.00000 0.00000 0.00000 146 4S 0.00002 0.00005 0.00000 0.00000 0.00000 147 4PX -0.00010 -0.00045 0.00000 0.00000 0.00000 148 4PY 0.00000 -0.00037 0.00000 0.00000 0.00000 149 4PZ -0.00003 0.00025 0.00000 0.00000 0.00000 150 5XX 0.00000 -0.00001 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 0.00003 0.00000 0.00000 0.00000 162 3PX 0.00000 -0.00014 0.00000 0.00000 0.00000 163 3PY 0.00000 -0.00007 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00006 0.00000 0.00000 0.00000 165 4S 0.00002 0.00005 0.00000 0.00000 0.00000 166 4PX -0.00010 -0.00045 0.00000 0.00000 0.00000 167 4PY 0.00000 -0.00037 0.00000 0.00000 0.00000 168 4PZ -0.00003 0.00025 0.00000 0.00000 0.00000 169 5XX 0.00000 -0.00001 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 8PX 2.44747 117 8PY 0.00000 2.45589 118 8PZ 0.00000 0.00000 2.46805 119 9PX -0.10999 0.00000 0.00000 0.64117 120 9PY 0.00000 -0.11592 0.00000 0.00000 0.66903 121 9PZ 0.00000 0.00000 -0.12403 0.00000 0.00000 122 10PX -0.03060 0.00000 0.00000 0.29907 0.00000 123 10PY 0.00000 -0.03358 0.00000 0.00000 0.33439 124 10PZ 0.00000 0.00000 -0.03870 0.00000 0.00000 125 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 126 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 127 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 -0.00002 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 146 4S 0.00001 0.00000 0.00000 -0.00024 0.00005 147 4PX 0.00004 0.00000 0.00002 -0.00118 0.00001 148 4PY 0.00000 0.00000 0.00000 -0.00008 -0.00001 149 4PZ 0.00001 0.00000 0.00000 -0.00037 0.00002 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 -0.00002 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 165 4S 0.00001 0.00000 0.00000 -0.00024 0.00005 166 4PX 0.00004 0.00000 0.00002 -0.00118 0.00001 167 4PY 0.00000 0.00000 0.00000 -0.00008 -0.00001 168 4PZ 0.00001 0.00000 0.00000 -0.00037 0.00002 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 9PZ 0.70635 122 10PX 0.00000 0.33002 123 10PY 0.00000 0.00000 0.39282 124 10PZ 0.38964 0.00000 0.00000 0.49475 125 11XX 0.00000 0.00000 0.00000 0.00000 2.71484 126 11YY 0.00000 0.00000 0.00000 0.00000 -0.08595 127 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.08588 128 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 129 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 12XX 0.00000 0.00000 0.00000 0.00000 0.05547 132 12YY 0.00000 0.00000 0.00000 0.00000 0.01423 133 12ZZ 0.00000 0.00000 0.00000 0.00000 0.01413 134 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 12YZ 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 0.00001 0.00000 0.00001 0.00000 139 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00029 -0.00002 -0.00016 0.00000 143 3PX -0.00001 -0.00138 -0.00008 -0.00057 0.00000 144 3PY 0.00000 -0.00018 -0.00001 -0.00001 0.00000 145 3PZ 0.00000 -0.00039 0.00002 -0.00003 0.00000 146 4S -0.00017 -0.00167 0.00040 -0.00130 -0.00001 147 4PX -0.00047 -0.00564 0.00017 -0.00266 -0.00003 148 4PY 0.00003 -0.00069 -0.00007 0.00016 0.00000 149 4PZ -0.00004 -0.00174 0.00019 -0.00009 0.00000 150 5XX 0.00000 0.00006 0.00000 0.00005 0.00000 151 5YY 0.00000 -0.00001 0.00000 0.00000 0.00000 152 5ZZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 153 5XY 0.00000 0.00001 0.00000 0.00000 0.00000 154 5XZ 0.00000 0.00002 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 0.00001 0.00000 0.00001 0.00000 158 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 161 3S 0.00000 -0.00029 -0.00002 -0.00016 0.00000 162 3PX -0.00001 -0.00138 -0.00008 -0.00057 0.00000 163 3PY 0.00000 -0.00018 -0.00001 -0.00001 0.00000 164 3PZ 0.00000 -0.00039 0.00002 -0.00003 0.00000 165 4S -0.00017 -0.00167 0.00040 -0.00130 -0.00001 166 4PX -0.00047 -0.00564 0.00017 -0.00266 -0.00003 167 4PY 0.00003 -0.00069 -0.00007 0.00016 0.00000 168 4PZ -0.00004 -0.00174 0.00019 -0.00009 0.00000 169 5XX 0.00000 0.00006 0.00000 0.00005 0.00000 170 5YY 0.00000 -0.00001 0.00000 0.00000 0.00000 171 5ZZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 172 5XY 0.00000 0.00001 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00002 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 11YY 2.71560 127 11ZZ -0.08584 2.71676 128 11XY 0.00000 0.00000 1.98204 129 11XZ 0.00000 0.00000 0.00000 1.98235 130 11YZ 0.00000 0.00000 0.00000 0.00000 1.98248 131 12XX 0.01441 0.01454 0.00000 0.00000 0.00000 132 12YY 0.05608 0.01461 0.00000 0.00000 0.00000 133 12ZZ 0.01439 0.05594 0.00000 0.00000 0.00000 134 12XY 0.00000 0.00000 0.00866 0.00000 0.00000 135 12XZ 0.00000 0.00000 0.00000 0.00836 0.00000 136 12YZ 0.00000 0.00000 0.00000 0.00000 0.00831 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 -0.00001 -0.00001 0.00000 0.00000 0.00000 147 4PX -0.00002 -0.00002 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 -0.00001 -0.00001 0.00000 0.00000 0.00000 166 4PX -0.00002 -0.00002 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 131 132 133 134 135 131 12XX 0.08878 132 12YY 0.02772 0.08657 133 12ZZ 0.02749 0.02741 0.08287 134 12XY 0.00000 0.00000 0.00000 0.00307 135 12XZ 0.00000 0.00000 0.00000 0.00000 0.00246 136 12YZ 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 0.00001 0.00000 0.00000 0.00000 0.00001 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 -0.00011 0.00000 -0.00002 0.00000 -0.00003 147 4PX -0.00017 -0.00004 -0.00005 0.00001 0.00003 148 4PY 0.00001 0.00000 0.00001 0.00001 0.00002 149 4PZ -0.00004 0.00000 -0.00001 0.00001 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 0.00001 0.00000 0.00000 0.00000 0.00001 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 -0.00011 0.00000 -0.00002 0.00000 -0.00003 166 4PX -0.00017 -0.00004 -0.00005 0.00001 0.00003 167 4PY 0.00001 0.00000 0.00001 0.00001 0.00002 168 4PZ -0.00004 0.00000 -0.00001 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 136 137 138 139 140 136 12YZ 0.00186 137 7 Cl 1S 0.00000 2.16061 138 2S 0.00000 -0.16506 2.38929 139 2PX 0.00000 0.00000 0.00000 2.10575 140 2PY 0.00000 0.00000 0.00000 0.00000 2.12181 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00052 -0.14800 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 -0.09933 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 -0.11322 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4S -0.00001 0.00250 -0.07796 0.00000 0.00000 147 4PX -0.00001 0.00000 0.00000 -0.01343 0.00000 148 4PY 0.00000 0.00000 0.00000 0.00000 -0.01607 149 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 5XX 0.00000 0.00006 -0.00476 0.00000 0.00000 151 5YY 0.00000 0.00006 -0.00357 0.00000 0.00000 152 5ZZ 0.00000 0.00006 -0.00448 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 -0.00002 0.00000 0.00000 166 4PX -0.00001 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 0.00004 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 2.10826 142 3S 0.00000 1.20755 143 3PX 0.00000 0.00000 0.93673 144 3PY 0.00000 0.00000 0.00000 1.04426 145 3PZ -0.10143 0.00000 0.00000 0.00000 0.94790 146 4S 0.00000 0.42964 0.00000 0.00000 0.00000 147 4PX 0.00000 0.00000 0.25542 0.00000 0.00000 148 4PY 0.00000 0.00000 0.00000 0.32710 0.00000 149 4PZ -0.01307 0.00000 0.00000 0.00000 0.26114 150 5XX 0.00000 -0.00358 0.00000 0.00000 0.00000 151 5YY 0.00000 -0.01435 0.00000 0.00000 0.00000 152 5ZZ 0.00000 -0.00734 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 -0.00005 162 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 164 3PZ 0.00000 -0.00005 0.00000 0.00000 -0.00050 165 4S 0.00002 0.00021 0.00000 0.00000 -0.00146 166 4PX 0.00000 0.00000 -0.00017 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 -0.00037 0.00000 168 4PZ 0.00016 -0.00095 0.00000 0.00000 -0.00808 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 0.00001 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 0.24977 147 4PX 0.00000 0.18564 148 4PY 0.00000 0.00000 0.26722 149 4PZ 0.00000 0.00000 0.00000 0.18881 150 5XX -0.00047 0.00000 0.00000 0.00000 0.00096 151 5YY -0.00413 0.00000 0.00000 0.00000 0.00022 152 5ZZ -0.00237 0.00000 0.00000 0.00000 0.00008 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 -0.00002 0.00000 0.00000 0.00004 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 0.00002 0.00000 0.00000 0.00016 0.00000 161 3S 0.00021 0.00000 0.00000 -0.00095 0.00000 162 3PX 0.00000 -0.00017 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 -0.00037 0.00000 0.00000 164 3PZ -0.00146 0.00000 0.00000 -0.00808 0.00000 165 4S 0.00120 0.00000 0.00000 -0.00358 0.00001 166 4PX 0.00000 -0.00047 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 -0.00193 0.00000 0.00000 168 4PZ -0.00358 0.00000 0.00000 -0.01864 -0.00006 169 5XX 0.00001 0.00000 0.00000 -0.00006 0.00000 170 5YY 0.00001 0.00000 0.00000 0.00000 0.00000 171 5ZZ -0.00008 0.00000 0.00000 0.00016 0.00000 172 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 5XZ 0.00000 0.00001 0.00000 0.00000 0.00000 174 5YZ 0.00000 0.00000 0.00001 0.00000 0.00000 151 152 153 154 155 151 5YY 0.00132 152 5ZZ -0.00003 0.00283 153 5XY 0.00000 0.00000 0.00029 154 5XZ 0.00000 0.00000 0.00000 0.00260 155 5YZ 0.00000 0.00000 0.00000 0.00000 0.00127 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 0.00001 0.00000 0.00000 0.00000 165 4S 0.00001 -0.00008 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00001 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 168 4PZ 0.00000 0.00016 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 2.38929 158 2PX 0.00000 0.00000 2.10575 159 2PY 0.00000 0.00000 0.00000 2.12181 160 2PZ 0.00000 0.00000 0.00000 0.00000 2.10826 161 3S 0.00052 -0.14800 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 -0.09933 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 -0.11322 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.10143 165 4S 0.00250 -0.07796 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 -0.01343 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 -0.01607 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.00000 -0.01307 169 5XX 0.00006 -0.00476 0.00000 0.00000 0.00000 170 5YY 0.00006 -0.00357 0.00000 0.00000 0.00000 171 5ZZ 0.00006 -0.00448 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 1.20755 162 3PX 0.00000 0.93673 163 3PY 0.00000 0.00000 1.04426 164 3PZ 0.00000 0.00000 0.00000 0.94790 165 4S 0.42964 0.00000 0.00000 0.00000 0.24977 166 4PX 0.00000 0.25542 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.32710 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 0.26114 0.00000 169 5XX -0.00358 0.00000 0.00000 0.00000 -0.00047 170 5YY -0.01435 0.00000 0.00000 0.00000 -0.00413 171 5ZZ -0.00734 0.00000 0.00000 0.00000 -0.00237 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 0.18564 167 4PY 0.00000 0.26722 168 4PZ 0.00000 0.00000 0.18881 169 5XX 0.00000 0.00000 0.00000 0.00096 170 5YY 0.00000 0.00000 0.00000 0.00022 0.00132 171 5ZZ 0.00000 0.00000 0.00000 0.00008 -0.00003 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 0.00283 172 5XY 0.00000 0.00029 173 5XZ 0.00000 0.00000 0.00260 174 5YZ 0.00000 0.00000 0.00000 0.00127 Gross orbital populations: 1 1 1 Al 1S 1.99884 2 2S 1.99023 3 2PX 1.98752 4 2PY 1.98846 5 2PZ 1.98732 6 3S 0.87177 7 3PX 0.42813 8 3PY 0.49195 9 3PZ 0.32815 10 4S -0.04262 11 4PX 0.08831 12 4PY 0.05265 13 4PZ 0.06752 14 5XX 0.02055 15 5YY 0.05794 16 5ZZ -0.01409 17 5XY 0.08039 18 5XZ 0.07197 19 5YZ 0.05194 20 2 Al 1S 1.99884 21 2S 1.99023 22 2PX 1.98752 23 2PY 1.98846 24 2PZ 1.98732 25 3S 0.87177 26 3PX 0.42812 27 3PY 0.49196 28 3PZ 0.32815 29 4S -0.04262 30 4PX 0.08831 31 4PY 0.05265 32 4PZ 0.06752 33 5XX 0.02055 34 5YY 0.05794 35 5ZZ -0.01409 36 5XY 0.08040 37 5XZ 0.07197 38 5YZ 0.05194 39 3 Cl 1S 1.99864 40 2S 1.98843 41 2PX 1.99164 42 2PY 1.99002 43 2PZ 1.99172 44 3S 1.45719 45 3PX 1.26856 46 3PY 1.11778 47 3PZ 1.25895 48 4S 0.53764 49 4PX 0.61186 50 4PY 0.37915 51 4PZ 0.63808 52 5XX -0.02081 53 5YY 0.00264 54 5ZZ -0.02042 55 5XY 0.00225 56 5XZ 0.00007 57 5YZ 0.00202 58 4 Cl 1S 1.99864 59 2S 1.98843 60 2PX 1.99164 61 2PY 1.99002 62 2PZ 1.99172 63 3S 1.45719 64 3PX 1.26856 65 3PY 1.11779 66 3PZ 1.25895 67 4S 0.53764 68 4PX 0.61185 69 4PY 0.37916 70 4PZ 0.63808 71 5XX -0.02081 72 5YY 0.00264 73 5ZZ -0.02042 74 5XY 0.00226 75 5XZ 0.00007 76 5YZ 0.00202 77 5 Br 1S 2.00285 78 2S 2.19078 79 3S 0.73292 80 4S 1.66316 81 5S 1.19802 82 6S 0.70326 83 7PX 1.99694 84 7PY 1.99709 85 7PZ 1.99728 86 8PX 1.99282 87 8PY 1.99317 88 8PZ 1.99368 89 9PX 0.92522 90 9PY 0.95500 91 9PZ 0.99680 92 10PX 0.69687 93 10PY 0.77215 94 10PZ 0.89237 95 11XX 1.05587 96 11YY 1.05640 97 11ZZ 1.05673 98 11XY 1.99036 99 11XZ 1.99066 100 11YZ 1.99075 101 12XX 0.09628 102 12YY 0.08612 103 12ZZ 0.07278 104 12XY 0.01821 105 12XZ 0.01267 106 12YZ 0.01122 107 6 Br 1S 2.00285 108 2S 2.19078 109 3S 0.73292 110 4S 1.66316 111 5S 1.19802 112 6S 0.70326 113 7PX 1.99694 114 7PY 1.99709 115 7PZ 1.99728 116 8PX 1.99282 117 8PY 1.99317 118 8PZ 1.99368 119 9PX 0.92524 120 9PY 0.95499 121 9PZ 0.99680 122 10PX 0.69690 123 10PY 0.77212 124 10PZ 0.89237 125 11XX 1.05587 126 11YY 1.05640 127 11ZZ 1.05673 128 11XY 1.99036 129 11XZ 1.99066 130 11YZ 1.99075 131 12XX 0.09628 132 12YY 0.08612 133 12ZZ 0.07278 134 12XY 0.01821 135 12XZ 0.01267 136 12YZ 0.01122 137 7 Cl 1S 1.99865 138 2S 1.98851 139 2PX 1.99036 140 2PY 1.99176 141 2PZ 1.99084 142 3S 1.45638 143 3PX 1.19014 144 3PY 1.28963 145 3PZ 1.20246 146 4S 0.53775 147 4PX 0.47419 148 4PY 0.59660 149 4PZ 0.47687 150 5XX -0.00671 151 5YY -0.02120 152 5ZZ -0.00648 153 5XY 0.00081 154 5XZ 0.00630 155 5YZ 0.00238 156 8 Cl 1S 1.99865 157 2S 1.98851 158 2PX 1.99036 159 2PY 1.99176 160 2PZ 1.99084 161 3S 1.45638 162 3PX 1.19014 163 3PY 1.28963 164 3PZ 1.20246 165 4S 0.53775 166 4PX 0.47418 167 4PY 0.59659 168 4PZ 0.47686 169 5XX -0.00671 170 5YY -0.02120 171 5ZZ -0.00648 172 5XY 0.00081 173 5XZ 0.00630 174 5YZ 0.00238 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Al 11.273438 -0.033202 0.414108 -0.003732 0.465902 -0.003959 2 Al -0.033202 11.273442 -0.003732 0.414109 -0.003959 0.465901 3 Cl 0.414108 -0.003732 16.841213 -0.000004 -0.017494 -0.000013 4 Cl -0.003732 0.414109 -0.000004 16.841214 -0.000013 -0.017494 5 Br 0.465902 -0.003959 -0.017494 -0.000013 34.732938 -0.000002 6 Br -0.003959 0.465901 -0.000013 -0.017494 -0.000002 34.732943 7 Cl 0.197158 0.197200 -0.019327 -0.019328 -0.019472 -0.019474 8 Cl 0.197201 0.197163 -0.019328 -0.019327 -0.019474 -0.019473 7 8 1 Al 0.197158 0.197201 2 Al 0.197200 0.197163 3 Cl -0.019327 -0.019328 4 Cl -0.019328 -0.019327 5 Br -0.019472 -0.019474 6 Br -0.019474 -0.019473 7 Cl 16.891179 -0.048701 8 Cl -0.048701 16.891159 Mulliken charges: 1 1 Al 0.493084 2 Al 0.493078 3 Cl -0.195423 4 Cl -0.195425 5 Br -0.138427 6 Br -0.138429 7 Cl -0.159235 8 Cl -0.159221 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 Al 0.493084 2 Al 0.493078 3 Cl -0.195423 4 Cl -0.195425 5 Br -0.138427 6 Br -0.138429 7 Cl -0.159235 8 Cl -0.159221 APT charges: 1 1 Al 1.772942 2 Al 1.772943 3 Cl -0.580832 4 Cl -0.580837 5 Br -0.483861 6 Br -0.483860 7 Cl -0.708250 8 Cl -0.708246 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 Al 1.772942 2 Al 1.772943 3 Cl -0.580832 4 Cl -0.580837 5 Br -0.483861 6 Br -0.483860 7 Cl -0.708250 8 Cl -0.708246 Electronic spatial extent (au): = 4837.9446 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0002 Y= 0.0001 Z= -0.0001 Tot= 0.0002 Quadrupole moment (field-independent basis, Debye-Ang): XX= -116.4800 YY= -120.1065 ZZ= -108.9147 XY= 3.2258 XZ= -0.0003 YZ= 0.0003 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.3129 YY= -4.9395 ZZ= 6.2523 XY= 3.2258 XZ= -0.0003 YZ= 0.0003 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0056 YYY= -0.0050 ZZZ= -0.0006 XYY= 0.0019 XXY= -0.0024 XXZ= 0.0000 XZZ= 0.0012 YZZ= -0.0011 YYZ= -0.0001 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -3207.1061 YYYY= -1451.6158 ZZZZ= -524.0228 XXXY= 186.2837 XXXZ= 0.0012 YYYX= 177.3703 YYYZ= -0.0004 ZZZX= 0.0014 ZZZY= 0.0004 XXYY= -780.2196 XXZZ= -614.1781 YYZZ= -328.4016 XXYZ= 0.0019 YYXZ= 0.0006 ZZXY= 39.4794 N-N= 1.673685896191D+03 E-N=-2.114351477240D+04 KE= 7.430279911687D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -482.928515 583.734372 2 O -482.928415 583.706988 3 O -101.603987 136.906417 4 O -101.603985 136.906432 5 O -101.550310 136.906801 6 O -101.550310 136.906800 7 O -61.891419 119.412101 8 O -61.890471 119.462852 9 O -56.407832 117.126847 10 O -56.407811 117.127629 11 O -56.406055 117.136832 12 O -56.405971 117.140166 13 O -56.405960 117.142986 14 O -56.405944 117.143576 15 O -56.169327 79.149927 16 O -56.169321 79.150757 17 O -9.524375 21.541661 18 O -9.524352 21.542229 19 O -9.468930 21.543768 20 O -9.468921 21.544119 21 O -8.600410 27.590835 22 O -8.600120 27.598754 23 O -7.283105 20.531610 24 O -7.283081 20.536159 25 O -7.282366 20.540452 26 O -7.282361 20.542373 27 O -7.278865 20.545023 28 O -7.278832 20.550675 29 O -7.229301 20.537694 30 O -7.229299 20.537890 31 O -7.224677 20.549362 32 O -7.224674 20.549734 33 O -7.224482 20.546753 34 O -7.224474 20.548134 35 O -6.549273 26.129644 36 O -6.549271 26.129774 37 O -6.542650 26.145218 38 O -6.542648 26.145369 39 O -6.542404 26.142604 40 O -6.542398 26.144052 41 O -4.247046 10.772464 42 O -4.247043 10.773507 43 O -2.801585 9.815830 44 O -2.801583 9.815864 45 O -2.800804 9.808013 46 O -2.800769 9.807796 47 O -2.798912 9.806532 48 O -2.798903 9.808108 49 O -2.665752 21.384386 50 O -2.665750 21.384392 51 O -2.663778 21.394545 52 O -2.663776 21.394549 53 O -2.663584 21.394162 54 O -2.663582 21.394219 55 O -2.658300 21.403022 56 O -2.658298 21.403032 57 O -2.658294 21.402966 58 O -2.658292 21.402976 59 O -0.903410 2.898033 60 O -0.880853 3.162601 61 O -0.831514 3.062509 62 O -0.829646 3.104080 63 O -0.783149 3.745627 64 O -0.782145 3.771955 65 O -0.504735 2.048545 66 O -0.502832 2.145491 67 O -0.456929 2.092811 68 O -0.427970 2.076034 69 O -0.425170 2.244343 70 O -0.406903 2.466025 71 O -0.403721 2.348109 72 O -0.395060 2.263846 73 O -0.388344 2.398921 74 O -0.369819 2.511320 75 O -0.351206 2.176551 76 O -0.348093 2.221998 77 O -0.344502 2.292310 78 O -0.342341 2.327905 79 O -0.325533 2.336185 80 O -0.319780 2.411041 81 O -0.319723 2.439865 82 O -0.317624 2.452117 83 V -0.052865 2.395973 84 V -0.037031 2.678948 85 V -0.025625 1.504895 86 V 0.017785 1.253467 87 V 0.022247 1.680861 88 V 0.032086 1.639876 89 V 0.036512 1.465977 90 V 0.056979 1.327781 91 V 0.081597 1.171043 92 V 0.118419 1.089893 93 V 0.127081 1.422154 94 V 0.148996 1.214042 95 V 0.152022 1.470245 96 V 0.168008 1.572982 97 V 0.179759 1.516525 98 V 0.193199 1.133603 99 V 0.261307 1.485390 100 V 0.294938 2.045500 101 V 0.296937 1.589731 102 V 0.313385 1.890545 103 V 0.314424 1.813722 104 V 0.331509 1.796136 105 V 0.337772 1.804016 106 V 0.370185 1.589903 107 V 0.372535 2.056747 108 V 0.382943 1.771798 109 V 0.391633 2.404990 110 V 0.410903 2.053839 111 V 0.426152 2.198769 112 V 0.439734 2.316445 113 V 0.440555 2.245458 114 V 0.441753 2.172710 115 V 0.444084 2.284078 116 V 0.456466 1.941567 117 V 0.467120 2.968771 118 V 0.484263 2.700201 119 V 0.501030 2.325919 120 V 0.519694 2.156836 121 V 0.529685 2.593370 122 V 0.534434 2.873080 123 V 0.539993 2.874979 124 V 0.548129 2.564597 125 V 0.548463 2.166451 126 V 0.557080 2.437368 127 V 0.571666 2.649736 128 V 0.577495 2.446647 129 V 0.581738 3.109817 130 V 0.610076 2.522210 131 V 0.618550 2.970570 132 V 0.643483 3.221725 133 V 0.647377 2.778394 134 V 0.649943 3.364323 135 V 0.657986 3.192862 136 V 0.662921 2.679740 137 V 0.676545 2.667802 138 V 0.705507 3.010762 139 V 0.712857 2.907814 140 V 0.755429 2.659143 141 V 0.804072 2.688679 142 V 0.824415 2.645198 143 V 0.850102 2.733151 144 V 0.852995 2.626899 145 V 0.857517 2.640442 146 V 0.864933 2.644387 147 V 0.867175 2.650103 148 V 0.891385 2.821320 149 V 0.914866 2.733130 150 V 0.917203 2.771644 151 V 0.953020 3.043127 152 V 0.960742 2.658732 153 V 0.965077 2.673808 154 V 0.973821 2.955897 155 V 1.003174 2.914625 156 V 1.027971 2.883550 157 V 1.096895 2.791107 158 V 1.097283 3.120939 159 V 1.103314 3.185657 160 V 1.152124 2.939033 161 V 1.259481 3.169034 162 V 1.265031 3.164248 163 V 1.675909 6.586545 164 V 1.729902 6.603696 165 V 2.044533 6.208402 166 V 2.050083 6.103577 167 V 4.206928 14.882164 168 V 4.243578 14.796691 169 V 4.262815 14.855098 170 V 4.285557 14.804823 171 V 8.735970 33.741981 172 V 8.791157 33.906431 173 V 75.738582 347.501850 174 V 76.801901 351.641375 Total kinetic energy from orbitals= 7.430279911687D+03 Exact polarizability: 127.880 3.209 117.784 0.000 0.000 87.180 Approx polarizability: 169.987 12.199 176.871 0.001 0.000 136.365 ******************************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: Frequency Table 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 -55.45011 2 Al 1 S Cor( 2S) 1.99946 -4.93076 3 Al 1 S Val( 3S) 0.62080 -0.22108 4 Al 1 S Ryd( 4S) 0.00096 0.17147 5 Al 1 S Ryd( 5S) 0.00001 1.97371 6 Al 1 px Cor( 2p) 1.99992 -2.79759 7 Al 1 px Val( 3p) 0.33053 -0.05150 8 Al 1 px Ryd( 4p) 0.00604 0.16628 9 Al 1 py Cor( 2p) 1.99995 -2.79531 10 Al 1 py Val( 3p) 0.34009 -0.03161 11 Al 1 py Ryd( 4p) 0.00773 0.17691 12 Al 1 pz Cor( 2p) 1.99992 -2.79960 13 Al 1 pz Val( 3p) 0.30030 -0.05830 14 Al 1 pz Ryd( 4p) 0.00421 0.14695 15 Al 1 dxy Ryd( 3d) 0.01430 0.49104 16 Al 1 dxz Ryd( 3d) 0.01115 0.49663 17 Al 1 dyz Ryd( 3d) 0.00926 0.43093 18 Al 1 dx2y2 Ryd( 3d) 0.01486 0.50956 19 Al 1 dz2 Ryd( 3d) 0.00488 0.47543 20 Al 2 S Cor( 1S) 2.00000 -55.45011 21 Al 2 S Cor( 2S) 1.99946 -4.93076 22 Al 2 S Val( 3S) 0.62080 -0.22108 23 Al 2 S Ryd( 4S) 0.00096 0.17147 24 Al 2 S Ryd( 5S) 0.00001 1.97371 25 Al 2 px Cor( 2p) 1.99992 -2.79759 26 Al 2 px Val( 3p) 0.33053 -0.05150 27 Al 2 px Ryd( 4p) 0.00604 0.16628 28 Al 2 py Cor( 2p) 1.99995 -2.79531 29 Al 2 py Val( 3p) 0.34010 -0.03161 30 Al 2 py Ryd( 4p) 0.00773 0.17691 31 Al 2 pz Cor( 2p) 1.99992 -2.79960 32 Al 2 pz Val( 3p) 0.30031 -0.05830 33 Al 2 pz Ryd( 4p) 0.00421 0.14695 34 Al 2 dxy Ryd( 3d) 0.01430 0.49105 35 Al 2 dxz Ryd( 3d) 0.01115 0.49664 36 Al 2 dyz Ryd( 3d) 0.00926 0.43093 37 Al 2 dx2y2 Ryd( 3d) 0.01486 0.50955 38 Al 2 dz2 Ryd( 3d) 0.00488 0.47543 39 Cl 3 S Cor( 1S) 2.00000 -100.47887 40 Cl 3 S Cor( 2S) 1.99978 -10.19336 41 Cl 3 S Val( 3S) 1.88734 -1.08749 42 Cl 3 S Ryd( 4S) 0.00019 0.70071 43 Cl 3 S Ryd( 5S) 0.00002 4.25530 44 Cl 3 px Cor( 2p) 1.99998 -7.22057 45 Cl 3 px Val( 3p) 1.92955 -0.33700 46 Cl 3 px Ryd( 4p) 0.00029 0.60393 47 Cl 3 py Cor( 2p) 1.99994 -7.22486 48 Cl 3 py Val( 3p) 1.74442 -0.37034 49 Cl 3 py Ryd( 4p) 0.00123 0.50151 50 Cl 3 pz Cor( 2p) 1.99999 -7.22074 51 Cl 3 pz Val( 3p) 1.92539 -0.33813 52 Cl 3 pz Ryd( 4p) 0.00036 0.51406 53 Cl 3 dxy Ryd( 3d) 0.00137 0.90417 54 Cl 3 dxz Ryd( 3d) 0.00003 0.85786 55 Cl 3 dyz Ryd( 3d) 0.00124 0.89171 56 Cl 3 dx2y2 Ryd( 3d) 0.00241 1.02842 57 Cl 3 dz2 Ryd( 3d) 0.00080 0.91624 58 Cl 4 S Cor( 1S) 2.00000 -100.47887 59 Cl 4 S Cor( 2S) 1.99978 -10.19336 60 Cl 4 S Val( 3S) 1.88734 -1.08749 61 Cl 4 S Ryd( 4S) 0.00019 0.70072 62 Cl 4 S Ryd( 5S) 0.00002 4.25530 63 Cl 4 px Cor( 2p) 1.99998 -7.22057 64 Cl 4 px Val( 3p) 1.92955 -0.33700 65 Cl 4 px Ryd( 4p) 0.00029 0.60393 66 Cl 4 py Cor( 2p) 1.99994 -7.22486 67 Cl 4 py Val( 3p) 1.74442 -0.37034 68 Cl 4 py Ryd( 4p) 0.00123 0.50151 69 Cl 4 pz Cor( 2p) 1.99999 -7.22074 70 Cl 4 pz Val( 3p) 1.92539 -0.33813 71 Cl 4 pz Ryd( 4p) 0.00036 0.51406 72 Cl 4 dxy Ryd( 3d) 0.00137 0.90419 73 Cl 4 dxz Ryd( 3d) 0.00003 0.85786 74 Cl 4 dyz Ryd( 3d) 0.00124 0.89171 75 Cl 4 dx2y2 Ryd( 3d) 0.00241 1.02841 76 Cl 4 dz2 Ryd( 3d) 0.00080 0.91624 77 Br 5 S Cor( 1S) 2.00000 -476.57087 78 Br 5 S Cor( 2S) 1.99992 -68.05475 79 Br 5 S Cor( 3S) 1.99979 -8.33532 80 Br 5 S Val( 4S) 1.88568 -1.14562 81 Br 5 S Ryd( 6S) 0.00021 19.34503 82 Br 5 S Ryd( 5S) 0.00017 0.61746 83 Br 5 S Ryd( 8S) 0.00000 44.83221 84 Br 5 S Ryd( 7S) 0.00000 21.98708 85 Br 5 px Cor( 2p) 1.99999 -55.10689 86 Br 5 px Cor( 3p) 1.99993 -7.84025 87 Br 5 px Val( 4p) 1.77159 -0.33168 88 Br 5 px Ryd( 5p) 0.00051 0.83933 89 Br 5 py Cor( 2p) 1.99999 -55.10643 90 Br 5 py Cor( 3p) 1.99995 -7.83892 91 Br 5 py Val( 4p) 1.82774 -0.32552 92 Br 5 py Ryd( 5p) 0.00047 0.67334 93 Br 5 pz Cor( 2p) 2.00000 -55.10573 94 Br 5 pz Cor( 3p) 1.99998 -7.83700 95 Br 5 pz Val( 4p) 1.91219 -0.31592 96 Br 5 pz Ryd( 5p) 0.00020 0.55819 97 Br 5 dxy Cor( 3d) 1.99996 -2.66371 98 Br 5 dxy Ryd( 4d) 0.00244 0.72260 99 Br 5 dxz Cor( 3d) 1.99999 -2.66168 100 Br 5 dxz Ryd( 4d) 0.00154 0.50512 101 Br 5 dyz Cor( 3d) 1.99999 -2.66037 102 Br 5 dyz Ryd( 4d) 0.00099 0.48912 103 Br 5 dx2y2 Cor( 3d) 1.99998 -2.66356 104 Br 5 dx2y2 Ryd( 4d) 0.00241 0.55954 105 Br 5 dz2 Cor( 3d) 1.99998 -2.66023 106 Br 5 dz2 Ryd( 4d) 0.00077 0.54908 107 Br 6 S Cor( 1S) 2.00000 -476.57087 108 Br 6 S Cor( 2S) 1.99992 -68.05476 109 Br 6 S Cor( 3S) 1.99979 -8.33531 110 Br 6 S Val( 4S) 1.88568 -1.14562 111 Br 6 S Ryd( 6S) 0.00021 19.34513 112 Br 6 S Ryd( 5S) 0.00017 0.61750 113 Br 6 S Ryd( 8S) 0.00000 44.83196 114 Br 6 S Ryd( 7S) 0.00000 21.98721 115 Br 6 px Cor( 2p) 1.99999 -55.10688 116 Br 6 px Cor( 3p) 1.99993 -7.84025 117 Br 6 px Val( 4p) 1.77162 -0.33167 118 Br 6 px Ryd( 5p) 0.00051 0.83932 119 Br 6 py Cor( 2p) 1.99999 -55.10642 120 Br 6 py Cor( 3p) 1.99995 -7.83892 121 Br 6 py Val( 4p) 1.82772 -0.32552 122 Br 6 py Ryd( 5p) 0.00047 0.67337 123 Br 6 pz Cor( 2p) 2.00000 -55.10572 124 Br 6 pz Cor( 3p) 1.99998 -7.83700 125 Br 6 pz Val( 4p) 1.91219 -0.31592 126 Br 6 pz Ryd( 5p) 0.00020 0.55819 127 Br 6 dxy Cor( 3d) 1.99996 -2.66371 128 Br 6 dxy Ryd( 4d) 0.00244 0.72261 129 Br 6 dxz Cor( 3d) 1.99999 -2.66168 130 Br 6 dxz Ryd( 4d) 0.00154 0.50511 131 Br 6 dyz Cor( 3d) 1.99999 -2.66037 132 Br 6 dyz Ryd( 4d) 0.00099 0.48913 133 Br 6 dx2y2 Cor( 3d) 1.99998 -2.66356 134 Br 6 dx2y2 Ryd( 4d) 0.00241 0.55953 135 Br 6 dz2 Cor( 3d) 1.99998 -2.66023 136 Br 6 dz2 Ryd( 4d) 0.00077 0.54908 137 Cl 7 S Cor( 1S) 2.00000 -100.50928 138 Cl 7 S Cor( 2S) 1.99979 -10.28389 139 Cl 7 S Val( 3S) 1.86796 -1.12262 140 Cl 7 S Ryd( 4S) 0.00063 0.73372 141 Cl 7 S Ryd( 5S) 0.00001 4.20446 142 Cl 7 px Cor( 2p) 1.99994 -7.27764 143 Cl 7 px Val( 3p) 1.79228 -0.40579 144 Cl 7 px Ryd( 4p) 0.00016 0.65189 145 Cl 7 py Cor( 2p) 1.99998 -7.27484 146 Cl 7 py Val( 3p) 1.92788 -0.39306 147 Cl 7 py Ryd( 4p) 0.00014 0.54000 148 Cl 7 pz Cor( 2p) 1.99997 -7.27763 149 Cl 7 pz Val( 3p) 1.83872 -0.41717 150 Cl 7 pz Ryd( 4p) 0.00024 0.53863 151 Cl 7 dxy Ryd( 3d) 0.00036 0.84514 152 Cl 7 dxz Ryd( 3d) 0.00306 0.96044 153 Cl 7 dyz Ryd( 3d) 0.00148 0.84023 154 Cl 7 dx2y2 Ryd( 3d) 0.00039 0.84915 155 Cl 7 dz2 Ryd( 3d) 0.00194 0.84564 156 Cl 8 S Cor( 1S) 2.00000 -100.50928 157 Cl 8 S Cor( 2S) 1.99979 -10.28389 158 Cl 8 S Val( 3S) 1.86795 -1.12262 159 Cl 8 S Ryd( 4S) 0.00063 0.73372 160 Cl 8 S Ryd( 5S) 0.00001 4.20446 161 Cl 8 px Cor( 2p) 1.99994 -7.27764 162 Cl 8 px Val( 3p) 1.79228 -0.40579 163 Cl 8 px Ryd( 4p) 0.00016 0.65189 164 Cl 8 py Cor( 2p) 1.99998 -7.27484 165 Cl 8 py Val( 3p) 1.92788 -0.39306 166 Cl 8 py Ryd( 4p) 0.00014 0.54000 167 Cl 8 pz Cor( 2p) 1.99997 -7.27763 168 Cl 8 pz Val( 3p) 1.83872 -0.41717 169 Cl 8 pz Ryd( 4p) 0.00024 0.53863 170 Cl 8 dxy Ryd( 3d) 0.00036 0.84514 171 Cl 8 dxz Ryd( 3d) 0.00306 0.96045 172 Cl 8 dyz Ryd( 3d) 0.00148 0.84023 173 Cl 8 dx2y2 Ryd( 3d) 0.00039 0.84915 174 Cl 8 dz2 Ryd( 3d) 0.00194 0.84564 WARNING: Population inversion found on atom Br 5 Population inversion found on atom Br 6 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- Al 1 1.33563 9.99926 1.59173 0.07339 11.66437 Al 2 1.33562 9.99926 1.59173 0.07339 11.66438 Cl 3 -0.49433 9.99970 7.48670 0.00793 17.49433 Cl 4 -0.49433 9.99970 7.48670 0.00793 17.49433 Br 5 -0.40637 27.99945 7.39721 0.00971 35.40637 Br 6 -0.40637 27.99945 7.39721 0.00971 35.40637 Cl 7 -0.43493 9.99969 7.42683 0.00841 17.43493 Cl 8 -0.43493 9.99969 7.42683 0.00841 17.43493 ======================================================================= * Total * 0.00000 115.99618 47.80494 0.19888 164.00000 Natural Population -------------------------------------------------------- Core 115.99618 ( 99.9967% of 116) Valence 47.80494 ( 99.5936% of 48) Natural Minimal Basis 163.80112 ( 99.8787% of 164) Natural Rydberg Basis 0.19888 ( 0.1213% of 164) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- Al 1 [core]3S( 0.62)3p( 0.97)3d( 0.05)4p( 0.02) Al 2 [core]3S( 0.62)3p( 0.97)3d( 0.05)4p( 0.02) Cl 3 [core]3S( 1.89)3p( 5.60)3d( 0.01) Cl 4 [core]3S( 1.89)3p( 5.60)3d( 0.01) Br 5 [core]4S( 1.89)4p( 5.51)4d( 0.01) Br 6 [core]4S( 1.89)4p( 5.51)4d( 0.01) Cl 7 [core]3S( 1.87)3p( 5.56)3d( 0.01) Cl 8 [core]3S( 1.87)3p( 5.56)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) 1.90 162.96566 1.03434 58 8 0 16 0 4 0.04 ----------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals -------------------------------------------------------- Core 115.99616 ( 99.997% of 116) Valence Lewis 46.96950 ( 97.853% of 48) ================== ============================ Total Lewis 162.96566 ( 99.369% of 164) ----------------------------------------------------- Valence non-Lewis 0.84566 ( 0.516% of 164) Rydberg non-Lewis 0.18868 ( 0.115% of 164) ================== ============================ Total non-Lewis 1.03434 ( 0.631% of 164) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.97666) BD ( 1)Al 1 -Cl 3 ( 17.23%) 0.4151*Al 1 s( 29.51%)p 2.30( 67.83%)d 0.09( 2.65%) 0.0000 -0.0001 0.5431 -0.0119 -0.0016 0.0000 0.1312 0.0071 0.0000 -0.8114 -0.0523 0.0000 0.0000 0.0000 -0.0175 0.0000 0.0000 -0.1451 -0.0719 ( 82.77%) 0.9098*Cl 3 s( 28.85%)p 2.46( 70.97%)d 0.01( 0.18%) 0.0000 0.0000 0.5371 -0.0004 -0.0025 0.0000 -0.0885 -0.0003 0.0000 0.8374 -0.0249 0.0000 0.0000 0.0000 -0.0082 0.0000 0.0000 -0.0359 -0.0209 2. (1.97139) BD ( 1)Al 1 -Br 5 ( 20.27%) 0.4503*Al 1 s( 30.26%)p 2.23( 67.51%)d 0.07( 2.24%) 0.0000 0.0001 -0.5500 0.0026 -0.0024 -0.0001 -0.6688 -0.0463 0.0000 -0.4736 -0.0366 0.0000 0.0000 0.0000 -0.1343 0.0000 0.0000 -0.0195 0.0629 ( 79.73%) 0.8929*Br 5 s( 24.27%)p 3.11( 75.54%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 -0.4926 0.0098 -0.0012 0.0002 0.0000 0.0000 0.0000 0.6813 0.0143 0.0000 0.0000 0.5392 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0368 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0099 0.0000 0.0210 3. (1.96833) BD ( 1)Al 1 -Cl 7 ( 11.99%) 0.3463*Al 1 s( 20.06%)p 3.83( 76.73%)d 0.16( 3.21%) 0.0000 0.0010 -0.4477 -0.0136 0.0009 -0.0002 0.4976 0.0163 0.0001 -0.2043 -0.0064 -0.0002 -0.6894 -0.0484 0.0601 0.1384 -0.0569 -0.0640 -0.0448 ( 88.01%) 0.9381*Cl 7 s( 22.41%)p 3.46( 77.46%)d 0.01( 0.13%) 0.0000 0.0002 -0.4733 -0.0075 0.0008 0.0000 -0.6571 -0.0009 0.0000 0.2593 0.0002 0.0000 0.5249 -0.0048 0.0069 0.0284 -0.0112 -0.0074 -0.0178 4. (1.96833) BD ( 1)Al 1 -Cl 8 ( 11.99%) 0.3463*Al 1 s( 20.06%)p 3.82( 76.73%)d 0.16( 3.21%) 0.0000 -0.0010 0.4477 0.0136 -0.0009 0.0002 -0.4976 -0.0163 -0.0001 0.2043 0.0064 -0.0002 -0.6894 -0.0484 -0.0601 0.1384 -0.0569 0.0640 0.0448 ( 88.01%) 0.9381*Cl 8 s( 22.41%)p 3.46( 77.46%)d 0.01( 0.13%) 0.0000 -0.0002 0.4733 0.0075 -0.0008 0.0000 0.6571 0.0009 0.0000 -0.2593 -0.0002 0.0000 0.5248 -0.0048 -0.0069 0.0284 -0.0112 0.0074 0.0178 5. (1.97666) BD ( 1)Al 2 -Cl 4 ( 17.23%) 0.4151*Al 2 s( 29.51%)p 2.30( 67.83%)d 0.09( 2.65%) 0.0000 0.0001 -0.5431 0.0119 0.0016 0.0000 0.1313 0.0071 0.0000 -0.8114 -0.0523 0.0000 0.0000 0.0000 0.0176 0.0000 0.0000 0.1451 0.0719 ( 82.77%) 0.9098*Cl 4 s( 28.85%)p 2.46( 70.97%)d 0.01( 0.18%) 0.0000 0.0000 -0.5371 0.0004 0.0025 0.0000 -0.0886 -0.0003 0.0000 0.8374 -0.0249 0.0000 0.0000 0.0000 0.0082 0.0000 0.0000 0.0359 0.0209 6. (1.97139) BD ( 1)Al 2 -Br 6 ( 20.27%) 0.4503*Al 2 s( 30.26%)p 2.23( 67.51%)d 0.07( 2.24%) 0.0000 -0.0001 0.5500 -0.0026 0.0024 -0.0001 -0.6688 -0.0463 0.0000 -0.4737 -0.0366 0.0000 0.0000 0.0000 0.1343 0.0000 0.0000 0.0195 -0.0629 ( 79.73%) 0.8929*Br 6 s( 24.27%)p 3.11( 75.54%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 0.4926 -0.0098 0.0012 -0.0002 0.0000 0.0000 0.0000 0.6813 0.0143 0.0000 0.0000 0.5393 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 0.0368 0.0000 0.0000 0.0000 0.0000 0.0000 0.0099 0.0000 -0.0210 7. (1.96833) BD ( 1)Al 2 -Cl 7 ( 11.99%) 0.3463*Al 2 s( 20.06%)p 3.82( 76.73%)d 0.16( 3.21%) 0.0000 0.0010 -0.4477 -0.0136 0.0009 0.0002 -0.4976 -0.0163 -0.0001 0.2043 0.0064 -0.0002 -0.6894 -0.0484 0.0601 -0.1384 0.0569 -0.0640 -0.0448 ( 88.01%) 0.9381*Cl 7 s( 22.41%)p 3.46( 77.46%)d 0.01( 0.13%) 0.0000 0.0002 -0.4733 -0.0075 0.0008 0.0000 0.6571 0.0009 0.0000 -0.2593 -0.0002 0.0000 0.5249 -0.0048 0.0069 -0.0284 0.0112 -0.0074 -0.0178 8. (1.96833) BD ( 1)Al 2 -Cl 8 ( 11.99%) 0.3463*Al 2 s( 20.06%)p 3.83( 76.73%)d 0.16( 3.21%) 0.0000 -0.0010 0.4477 0.0136 -0.0009 -0.0002 0.4976 0.0163 0.0001 -0.2043 -0.0064 -0.0002 -0.6894 -0.0484 -0.0601 -0.1384 0.0569 0.0640 0.0448 ( 88.01%) 0.9381*Cl 8 s( 22.41%)p 3.46( 77.46%)d 0.01( 0.13%) 0.0000 -0.0002 0.4733 0.0075 -0.0008 0.0000 -0.6572 -0.0009 0.0000 0.2593 0.0002 0.0000 0.5249 -0.0048 -0.0069 -0.0284 0.0112 0.0074 0.0178 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. (1.99946) CR ( 2)Al 1 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 0.0000 1.0000 0.0010 0.0000 0.0000 0.0000 -0.0009 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 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 0.0003 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. (1.99995) CR ( 4)Al 1 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 13. (1.99991) 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. (1.99946) CR ( 2)Al 2 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 0.0000 1.0000 0.0010 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 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 0.0003 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 17. (1.99995) 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. (1.99991) 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)Cl 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 20. (1.99978) CR ( 2)Cl 3 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 21. (1.99998) CR ( 3)Cl 3 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 22. (1.99994) CR ( 4)Cl 3 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 23. (1.99999) CR ( 5)Cl 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 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. (2.00000) CR ( 1)Cl 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 25. (1.99978) CR ( 2)Cl 4 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 26. (1.99998) CR ( 3)Cl 4 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 27. (1.99994) CR ( 4)Cl 4 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 28. (1.99999) CR ( 5)Cl 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 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29. (2.00000) CR ( 1)Br 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 30. (1.99992) CR ( 2)Br 5 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 0.0000 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 31. (1.99979) CR ( 3)Br 5 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 32. (1.99999) CR ( 4)Br 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 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 33. (1.99993) CR ( 5)Br 5 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 34. (1.99999) CR ( 6)Br 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 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 35. (1.99995) CR ( 7)Br 5 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 0.0000 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 36. (2.00000) CR ( 8)Br 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 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 37. (1.99998) CR ( 9)Br 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 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 38. (1.99996) CR (10)Br 5 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 0.0001 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 0.0000 0.0000 0.0000 0.0000 39. (1.99999) CR (11)Br 5 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 40. (1.99999) CR (12)Br 5 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 41. (1.99998) CR (13)Br 5 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 42. (1.99998) CR (14)Br 5 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 43. (2.00000) CR ( 1)Br 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 44. (1.99992) CR ( 2)Br 6 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 0.0000 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 45. (1.99979) CR ( 3)Br 6 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 46. (1.99999) CR ( 4)Br 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 0.0000 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 47. (1.99993) CR ( 5)Br 6 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 48. (1.99999) CR ( 6)Br 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 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 49. (1.99995) CR ( 7)Br 6 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 0.0000 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 50. (2.00000) CR ( 8)Br 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 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 51. (1.99998) CR ( 9)Br 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 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 52. (1.99996) CR (10)Br 6 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 -0.0001 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 0.0000 0.0000 0.0000 0.0000 53. (1.99999) CR (11)Br 6 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 54. (1.99999) CR (12)Br 6 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 55. (1.99998) CR (13)Br 6 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 56. (1.99998) CR (14)Br 6 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 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. (1.99979) CR ( 2)Cl 7 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 59. (1.99994) 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. (1.99998) CR ( 4)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 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 61. (1.99997) CR ( 5)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 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. (1.99979) CR ( 2)Cl 8 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 64. (1.99994) CR ( 3)Cl 8 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 65. (1.99998) CR ( 4)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 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 66. (1.99997) CR ( 5)Cl 8 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 67. (1.98410) LP ( 1)Cl 3 s( 71.13%)p 0.41( 28.85%)d 0.00( 0.02%) 0.0000 -0.0004 0.8434 0.0004 0.0013 0.0000 0.0502 -0.0003 -0.0002 -0.5347 0.0085 0.0000 0.0000 0.0000 0.0024 0.0000 0.0000 0.0107 0.0065 68. (1.93309) LP ( 2)Cl 3 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0053 -0.0004 0.0004 0.0000 0.9944 0.0107 0.0000 0.1018 0.0011 0.0000 0.0002 0.0000 0.0240 0.0000 0.0000 -0.0058 0.0004 69. (1.92681) LP ( 3)Cl 3 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0116 0.0000 -0.0026 0.0244 0.0000 0.0000 70. (1.98410) LP ( 1)Cl 4 s( 71.13%)p 0.41( 28.85%)d 0.00( 0.02%) 0.0000 -0.0004 0.8434 0.0004 0.0013 0.0000 -0.0503 0.0003 0.0002 0.5347 -0.0085 0.0000 0.0000 0.0000 0.0024 0.0000 0.0000 0.0107 0.0065 71. (1.93309) LP ( 2)Cl 4 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0053 -0.0004 0.0004 0.0000 -0.9944 -0.0107 0.0000 -0.1019 -0.0011 0.0000 -0.0002 0.0000 0.0240 0.0000 0.0000 -0.0058 0.0004 72. (1.92681) LP ( 3)Cl 4 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0116 0.0000 0.0026 -0.0244 0.0000 0.0000 73. (1.98212) LP ( 1)Br 5 s( 75.71%)p 0.32( 24.29%)d 0.00( 0.01%) 0.0000 -0.0002 0.0003 0.8701 0.0044 -0.0003 0.0000 0.0000 0.0000 -0.0002 0.3805 0.0031 0.0000 -0.0002 0.3131 0.0030 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0071 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0015 0.0000 0.0044 74. (1.92270) LP ( 2)Br 5 s( 0.01%)p 1.00( 99.87%)d 0.00( 0.12%) 0.0000 0.0000 0.0000 0.0082 0.0006 0.0000 0.0001 0.0000 0.0000 0.0000 0.6237 -0.0046 0.0000 0.0000 -0.7808 0.0061 0.0000 0.0000 0.0002 0.0000 -0.0001 0.0091 0.0000 0.0000 0.0000 0.0000 0.0003 -0.0333 0.0000 0.0011 75. (1.91476) LP ( 3)Br 5 s( 0.00%)p 1.00( 99.87%)d 0.00( 0.13%) 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 0.0001 0.0000 0.9993 -0.0090 0.0000 0.0000 0.0002 -0.0277 0.0002 -0.0222 0.0000 0.0000 0.0000 0.0000 76. (1.98212) LP ( 1)Br 6 s( 75.71%)p 0.32( 24.29%)d 0.00( 0.01%) 0.0000 -0.0002 0.0003 0.8701 0.0044 -0.0003 0.0000 0.0000 0.0000 0.0002 -0.3805 -0.0031 0.0000 0.0002 -0.3131 -0.0030 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0071 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0015 0.0000 0.0044 77. (1.92270) LP ( 2)Br 6 s( 0.01%)p 1.00( 99.87%)d 0.00( 0.12%) 0.0000 0.0000 0.0000 0.0082 0.0006 0.0000 0.0001 0.0000 0.0000 0.0000 -0.6238 0.0046 0.0000 0.0000 0.7807 -0.0061 0.0000 0.0000 -0.0002 0.0000 -0.0001 0.0091 0.0000 0.0000 0.0000 0.0000 0.0003 -0.0333 0.0000 0.0011 78. (1.91476) LP ( 3)Br 6 s( 0.00%)p 1.00( 99.87%)d 0.00( 0.13%) 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 0.0001 0.0000 0.0001 0.0000 0.9993 -0.0090 0.0000 0.0000 -0.0002 0.0277 -0.0002 0.0222 0.0000 0.0000 0.0000 0.0000 79. (1.98250) LP ( 1)Cl 7 s( 55.19%)p 0.81( 44.78%)d 0.00( 0.03%) 0.0000 -0.0002 0.7429 -0.0084 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.6692 -0.0040 -0.0003 0.0000 0.0000 0.0004 -0.0168 80. (1.95397) LP ( 2)Cl 7 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.3669 0.0021 -0.0001 0.9300 0.0052 0.0000 -0.0001 0.0000 0.0000 -0.0083 -0.0213 0.0000 0.0000 81. (1.98250) LP ( 1)Cl 8 s( 55.19%)p 0.81( 44.78%)d 0.00( 0.03%) 0.0000 -0.0002 0.7428 -0.0084 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 -0.6692 0.0040 -0.0003 0.0000 0.0000 0.0004 -0.0168 82. (1.95397) LP ( 2)Cl 8 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.3669 0.0021 -0.0001 0.9300 0.0052 0.0000 0.0000 0.0000 0.0000 0.0083 0.0213 0.0000 0.0000 83. (0.02709) RY*( 1)Al 1 s( 0.10%)p99.99( 20.22%)d99.99( 79.68%) 0.0000 0.0000 0.0288 0.0110 -0.0090 0.0000 0.1674 -0.3304 0.0000 -0.1112 0.2295 0.0000 0.0001 -0.0001 -0.4776 0.0002 -0.0001 0.6997 0.2812 84. (0.02373) RY*( 2)Al 1 s( 0.00%)p 1.00( 20.91%)d 3.78( 79.09%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.2206 -0.4006 0.0001 0.8449 -0.2774 -0.0002 -0.0001 85. (0.01903) RY*( 3)Al 1 s( 0.03%)p99.99( 32.34%)d99.99( 67.63%) 0.0000 0.0000 0.0066 0.0147 -0.0073 0.0000 0.0943 -0.2674 0.0000 0.1401 -0.4726 0.0000 0.0000 0.0000 -0.6832 -0.0001 -0.0001 -0.4557 0.0428 86. (0.00910) RY*( 4)Al 1 s( 0.00%)p 1.00( 0.30%)d99.99( 99.70%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 -0.0164 -0.0525 0.0000 0.2928 0.9546 0.0000 0.0000 87. (0.00457) RY*( 5)Al 1 s( 0.56%)p99.99( 69.29%)d53.72( 30.15%) 0.0000 0.0000 0.0058 0.0745 -0.0054 0.0000 -0.0118 -0.5156 0.0000 -0.0254 -0.6529 0.0000 0.0000 0.0000 0.4759 0.0000 0.0000 0.2651 0.0691 88. (0.00302) RY*( 6)Al 1 s( 3.89%)p 9.57( 37.20%)d15.16( 58.91%) 0.0000 0.0000 0.0196 0.1959 -0.0094 0.0000 0.0140 -0.4438 0.0000 0.0032 0.4182 0.0000 0.0000 -0.0003 0.2214 -0.0001 0.0000 -0.4392 0.5892 89. (0.00197) RY*( 7)Al 1 s( 0.00%)p 1.00( 83.26%)d 0.20( 16.74%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0001 0.0000 0.0228 0.9122 0.0001 0.4026 -0.0729 -0.0001 0.0001 90. (0.00179) RY*( 8)Al 1 s( 7.15%)p 5.27( 37.70%)d 7.71( 55.16%) 0.0000 0.0000 -0.0182 0.2658 0.0223 0.0000 -0.0481 -0.5199 0.0000 0.0271 0.3219 0.0000 0.0000 -0.0001 -0.0234 0.0000 0.0000 -0.0570 -0.7401 91. (0.00061) RY*( 9)Al 1 s( 88.47%)p 0.11( 9.96%)d 0.02( 1.57%) 0.0000 0.0000 -0.0044 0.9404 -0.0176 0.0000 0.0260 0.2889 0.0000 -0.0220 -0.1223 0.0000 0.0000 -0.0001 -0.0590 0.0000 0.0000 0.0819 0.0743 92. (0.00001) RY*(10)Al 1 s( 99.91%)p 0.00( 0.01%)d 0.00( 0.08%) 93. (0.02709) RY*( 1)Al 2 s( 0.10%)p99.99( 20.22%)d99.99( 79.68%) 0.0000 0.0000 0.0288 0.0110 -0.0090 0.0000 -0.1674 0.3304 0.0000 0.1112 -0.2295 0.0000 -0.0001 0.0001 -0.4775 0.0002 0.0000 0.6998 0.2812 94. (0.02373) RY*( 2)Al 2 s( 0.00%)p 1.00( 20.91%)d 3.78( 79.09%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0000 -0.2206 0.4006 0.0001 0.8450 -0.2773 -0.0002 0.0000 95. (0.01903) RY*( 3)Al 2 s( 0.03%)p99.99( 32.34%)d99.99( 67.63%) 0.0000 0.0000 0.0066 0.0147 -0.0073 0.0000 -0.0943 0.2673 0.0000 -0.1401 0.4727 0.0000 0.0000 0.0000 -0.6833 0.0000 -0.0001 -0.4556 0.0428 96. (0.00910) RY*( 4)Al 2 s( 0.00%)p 1.00( 0.30%)d99.99( 99.70%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0164 0.0525 0.0000 0.2927 0.9546 0.0000 0.0000 97. (0.00457) RY*( 5)Al 2 s( 0.56%)p99.99( 69.29%)d53.70( 30.15%) 0.0000 0.0000 0.0058 0.0745 -0.0054 0.0000 0.0118 0.5156 0.0000 0.0254 0.6529 0.0000 0.0000 0.0000 0.4759 0.0000 0.0000 0.2649 0.0692 98. (0.00302) RY*( 6)Al 2 s( 3.88%)p 9.58( 37.20%)d15.17( 58.92%) 0.0000 0.0000 0.0196 0.1959 -0.0094 0.0000 -0.0140 0.4438 0.0000 -0.0032 -0.4181 0.0000 0.0000 0.0002 0.2213 -0.0001 0.0000 -0.4393 0.5892 99. (0.00197) RY*( 7)Al 2 s( 0.00%)p 1.00( 83.26%)d 0.20( 16.74%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 -0.0001 0.0000 -0.0228 -0.9122 0.0001 0.4026 -0.0729 -0.0001 0.0001 100. (0.00179) RY*( 8)Al 2 s( 7.15%)p 5.27( 37.70%)d 7.71( 55.15%) 0.0000 0.0000 -0.0182 0.2659 0.0223 0.0000 0.0481 0.5200 0.0000 -0.0271 -0.3218 0.0000 0.0000 0.0001 -0.0234 0.0000 0.0000 -0.0570 -0.7401 101. (0.00061) RY*( 9)Al 2 s( 88.47%)p 0.11( 9.96%)d 0.02( 1.57%) 0.0000 0.0000 -0.0043 0.9404 -0.0176 0.0000 -0.0260 -0.2889 0.0000 0.0220 0.1222 0.0000 0.0000 0.0001 -0.0590 0.0000 0.0000 0.0819 0.0743 102. (0.00001) RY*(10)Al 2 s( 99.91%)p 0.00( 0.01%)d 0.00( 0.08%) 103. (0.00026) RY*( 1)Cl 3 s( 62.85%)p 0.05( 3.41%)d 0.54( 33.73%) 0.0000 0.0000 0.0014 0.7926 -0.0169 0.0000 0.0145 -0.1218 0.0000 0.0079 0.1380 0.0000 0.0000 0.0000 -0.5515 0.0000 0.0000 0.1114 0.1442 104. (0.00014) RY*( 2)Cl 3 s( 13.80%)p 2.39( 32.97%)d 3.86( 53.22%) 0.0000 0.0000 -0.0005 0.3710 0.0200 0.0000 -0.0131 -0.3855 0.0000 -0.0008 0.4254 0.0000 0.0000 0.0001 0.6206 0.0000 -0.0001 -0.3671 -0.1112 105. (0.00012) RY*( 3)Cl 3 s( 0.00%)p 1.00( 56.59%)d 0.77( 43.41%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 -0.0003 0.0000 0.0075 0.7523 -0.0002 0.0587 -0.6562 -0.0002 -0.0002 106. (0.00011) RY*( 4)Cl 3 s( 0.68%)p74.59( 50.56%)d71.93( 48.76%) 0.0000 0.0000 0.0122 -0.0383 0.0718 0.0000 -0.0116 0.3706 0.0000 0.0441 0.6051 0.0000 0.0000 0.0004 0.2224 0.0000 -0.0003 0.5359 0.3886 107. (0.00007) RY*( 5)Cl 3 s( 0.00%)p 1.00( 40.34%)d 1.48( 59.66%) 108. (0.00004) RY*( 6)Cl 3 s( 9.12%)p 7.52( 68.52%)d 2.45( 22.36%) 109. (0.00002) RY*( 7)Cl 3 s( 16.94%)p 2.38( 40.32%)d 2.52( 42.75%) 110. (0.00000) RY*( 8)Cl 3 s( 95.49%)p 0.04( 3.58%)d 0.01( 0.93%) 111. (0.00001) RY*( 9)Cl 3 s( 0.00%)p 1.00( 3.13%)d31.00( 96.87%) 112. (0.00000) RY*(10)Cl 3 s( 1.15%)p 0.76( 0.87%)d85.55( 97.99%) 113. (0.00026) RY*( 1)Cl 4 s( 62.86%)p 0.05( 3.42%)d 0.54( 33.72%) 0.0000 0.0000 0.0014 0.7926 -0.0169 0.0000 -0.0145 0.1219 0.0000 -0.0080 -0.1380 0.0000 0.0000 0.0000 -0.5514 0.0000 0.0000 0.1115 0.1442 114. (0.00014) RY*( 2)Cl 4 s( 13.79%)p 2.39( 32.97%)d 3.86( 53.23%) 0.0000 0.0000 -0.0005 0.3709 0.0200 0.0000 0.0131 0.3856 0.0000 0.0008 -0.4253 0.0000 0.0000 -0.0002 0.6205 0.0000 -0.0001 -0.3673 -0.1112 115. (0.00012) RY*( 3)Cl 4 s( 0.00%)p 1.00( 56.59%)d 0.77( 43.41%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0003 0.0000 0.0075 0.7522 0.0002 -0.0588 0.6562 0.0001 0.0001 116. (0.00011) RY*( 4)Cl 4 s( 0.68%)p74.67( 50.57%)d72.00( 48.76%) 0.0000 0.0000 0.0122 -0.0382 0.0718 0.0000 0.0116 -0.3705 0.0000 -0.0441 -0.6052 0.0000 0.0000 -0.0003 0.2226 0.0000 -0.0002 0.5358 0.3885 117. (0.00007) RY*( 5)Cl 4 s( 0.00%)p 1.00( 40.34%)d 1.48( 59.66%) 118. (0.00004) RY*( 6)Cl 4 s( 9.12%)p 7.51( 68.51%)d 2.45( 22.37%) 119. (0.00002) RY*( 7)Cl 4 s( 16.94%)p 2.38( 40.32%)d 2.52( 42.74%) 120. (0.00000) RY*( 8)Cl 4 s( 95.49%)p 0.04( 3.58%)d 0.01( 0.93%) 121. (0.00001) RY*( 9)Cl 4 s( 0.00%)p 1.00( 3.13%)d30.99( 96.87%) 122. (0.00000) RY*(10)Cl 4 s( 1.14%)p 0.76( 0.87%)d85.67( 97.99%) 123. (0.00027) RY*( 1)Br 5 s( 59.82%)p 0.40( 23.64%)d 0.28( 16.54%) 0.0000 0.0000 0.0000 0.0001 0.0858 0.7686 -0.0055 0.0003 0.0000 0.0000 0.0069 0.4860 0.0000 0.0000 -0.0113 -0.0060 0.0000 0.0000 0.0000 0.0000 0.0000 0.1215 0.0000 0.0000 0.0000 0.0000 0.0000 0.3653 0.0000 0.1314 124. (0.00021) RY*( 2)Br 5 s( 2.12%)p 7.38( 15.63%)d38.84( 82.26%) 0.0000 0.0000 0.0000 -0.0145 -0.0358 0.1106 -0.0853 -0.0138 0.0000 0.0000 0.0295 -0.1722 0.0000 0.0000 0.0337 -0.3530 0.0000 0.0000 0.0000 0.0000 0.0000 0.7697 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0884 0.0000 -0.4714 125. (0.00014) RY*( 3)Br 5 s( 1.07%)p34.34( 36.73%)d58.15( 62.20%) 0.0000 0.0000 0.0000 0.0040 0.1022 0.0143 -0.0061 -0.0005 0.0000 0.0000 -0.0274 0.4826 0.0000 0.0000 0.0131 0.3653 0.0000 0.0000 0.0000 0.0000 0.0000 0.2010 0.0000 0.0000 0.0000 0.0000 0.0000 -0.7624 0.0000 0.0171 126. (0.00009) RY*( 4)Br 5 s( 0.00%)p 1.00( 0.42%)d99.99( 99.58%) 127. (0.00005) RY*( 5)Br 5 s( 0.00%)p 1.00( 87.18%)d 0.15( 12.82%) 128. (0.00004) RY*( 6)Br 5 s( 44.10%)p 0.61( 26.84%)d 0.66( 29.06%) 129. (0.00003) RY*( 7)Br 5 s( 28.46%)p 2.24( 63.89%)d 0.27( 7.66%) 130. (0.00002) RY*( 8)Br 5 s( 0.00%)p 1.00( 12.53%)d 6.98( 87.47%) 131. (0.00001) RY*( 9)Br 5 s( 53.20%)p 0.55( 29.44%)d 0.33( 17.36%) 132. (0.00001) RY*(10)Br 5 s( 14.70%)p 0.20( 2.99%)d 5.60( 82.31%) 133. (0.00000) RY*(11)Br 5 s( 96.59%)p 0.01( 1.14%)d 0.02( 2.28%) 134. (0.00000) RY*(12)Br 5 s( 99.96%)p 0.00( 0.01%)d 0.00( 0.03%) 135. (0.00027) RY*( 1)Br 6 s( 59.82%)p 0.40( 23.63%)d 0.28( 16.54%) 0.0000 0.0000 0.0000 0.0001 0.0858 0.7686 -0.0055 0.0003 0.0000 0.0000 -0.0069 -0.4859 0.0000 0.0000 0.0113 0.0059 0.0000 0.0000 0.0000 0.0000 0.0000 0.1217 0.0000 0.0000 0.0000 0.0000 0.0000 0.3652 0.0000 0.1314 136. (0.00021) RY*( 2)Br 6 s( 2.12%)p 7.38( 15.63%)d38.84( 82.26%) 0.0000 0.0000 0.0000 -0.0145 -0.0358 0.1106 -0.0853 -0.0138 0.0000 0.0000 -0.0295 0.1722 0.0000 0.0000 -0.0337 0.3530 0.0000 0.0000 0.0000 0.0000 0.0000 0.7697 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0886 0.0000 -0.4714 137. (0.00014) RY*( 3)Br 6 s( 1.07%)p34.34( 36.73%)d58.15( 62.20%) 0.0000 0.0000 0.0000 0.0040 0.1022 0.0143 -0.0061 -0.0005 0.0000 0.0000 0.0274 -0.4826 0.0000 0.0000 -0.0130 -0.3654 0.0000 0.0000 0.0000 0.0000 0.0000 0.2008 0.0000 -0.0001 0.0000 0.0000 0.0000 -0.7625 0.0000 0.0171 138. (0.00009) RY*( 4)Br 6 s( 0.00%)p 1.00( 0.42%)d99.99( 99.58%) 139. (0.00005) RY*( 5)Br 6 s( 0.00%)p 1.00( 87.19%)d 0.15( 12.81%) 140. (0.00004) RY*( 6)Br 6 s( 44.10%)p 0.61( 26.85%)d 0.66( 29.05%) 141. (0.00003) RY*( 7)Br 6 s( 28.45%)p 2.25( 63.88%)d 0.27( 7.67%) 142. (0.00002) RY*( 8)Br 6 s( 0.00%)p 1.00( 12.52%)d 6.99( 87.48%) 143. (0.00001) RY*( 9)Br 6 s( 53.20%)p 0.55( 29.45%)d 0.33( 17.36%) 144. (0.00001) RY*(10)Br 6 s( 14.71%)p 0.20( 2.99%)d 5.60( 82.30%) 145. (0.00000) RY*(11)Br 6 s( 96.59%)p 0.01( 1.13%)d 0.02( 2.28%) 146. (0.00000) RY*(12)Br 6 s( 99.96%)p 0.00( 0.01%)d 0.00( 0.03%) 147. (0.00039) RY*( 1)Cl 7 s( 0.15%)p55.27( 8.47%)d99.99( 91.37%) 0.0000 0.0000 -0.0002 0.0270 0.0284 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 -0.0225 -0.2902 -0.1524 0.0000 0.0000 0.4424 -0.8335 148. (0.00033) RY*( 2)Cl 7 s( 73.30%)p 0.17( 12.15%)d 0.20( 14.55%) 0.0000 0.0000 0.0005 0.8495 0.1069 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.0086 -0.3484 -0.2192 -0.0001 0.0000 -0.3110 0.0272 149. (0.00028) RY*( 3)Cl 7 s( 11.05%)p 0.12( 1.34%)d 7.93( 87.61%) 0.0000 0.0000 -0.0001 0.3301 0.0395 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0088 -0.1153 0.7263 0.0001 0.0001 0.5512 0.2117 150. (0.00025) RY*( 4)Cl 7 s( 0.00%)p 1.00( 22.05%)d 3.54( 77.95%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0364 -0.4571 0.0000 -0.0132 0.1001 0.0000 0.0000 -0.0001 0.0000 0.8320 -0.2956 0.0000 -0.0001 151. (0.00018) RY*( 5)Cl 7 s( 0.00%)p 1.00( 12.14%)d 7.24( 87.86%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0133 0.3144 0.0000 0.0176 -0.1486 0.0000 0.0000 -0.0001 0.0001 0.4770 0.8069 -0.0003 -0.0001 152. (0.00015) RY*( 6)Cl 7 s( 0.00%)p 1.00( 69.29%)d 0.44( 30.71%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0130 0.6600 0.0000 -0.0129 -0.5070 0.0000 0.0000 0.0000 0.0000 0.2466 -0.4962 0.0000 0.0001 153. (0.00015) RY*( 7)Cl 7 s( 11.72%)p 3.76( 44.05%)d 3.77( 44.23%) 0.0000 0.0000 -0.0084 0.3373 -0.0580 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0200 0.6634 -0.4440 0.0002 0.0002 0.4818 0.1143 154. (0.00006) RY*( 8)Cl 7 s( 0.00%)p 1.00( 96.75%)d 0.03( 3.25%) 155. (0.00002) RY*( 9)Cl 7 s( 7.75%)p 3.98( 30.86%)d 7.93( 61.40%) 156. (0.00000) RY*(10)Cl 7 s( 96.02%)p 0.03( 3.26%)d 0.01( 0.72%) 157. (0.00039) RY*( 1)Cl 8 s( 0.15%)p55.47( 8.47%)d99.99( 91.38%) 0.0000 0.0000 -0.0002 0.0269 0.0283 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0225 0.2901 -0.1524 0.0000 0.0001 0.4425 -0.8335 158. (0.00033) RY*( 2)Cl 8 s( 73.29%)p 0.17( 12.15%)d 0.20( 14.56%) 0.0000 0.0000 0.0005 0.8494 0.1069 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0086 0.3484 -0.2194 -0.0001 0.0000 -0.3110 0.0271 159. (0.00028) RY*( 3)Cl 8 s( 11.06%)p 0.12( 1.34%)d 7.92( 87.60%) 0.0000 0.0000 -0.0001 0.3302 0.0396 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0001 0.0000 -0.0088 0.1153 0.7263 -0.0002 0.0001 0.5511 0.2117 160. (0.00025) RY*( 4)Cl 8 s( 0.00%)p 1.00( 22.04%)d 3.54( 77.96%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 -0.0364 0.4571 0.0000 0.0132 -0.1001 0.0000 0.0000 0.0001 0.0002 0.8320 -0.2956 0.0001 0.0000 161. (0.00018) RY*( 5)Cl 8 s( 0.00%)p 1.00( 12.14%)d 7.24( 87.86%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0133 -0.3144 0.0000 -0.0176 0.1485 0.0000 0.0000 -0.0001 -0.0001 0.4770 0.8069 0.0000 0.0001 162. (0.00015) RY*( 6)Cl 8 s( 0.00%)p 1.00( 69.30%)d 0.44( 30.70%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0130 0.6600 0.0000 -0.0129 -0.5070 0.0000 0.0000 0.0000 -0.0001 -0.2466 0.4962 0.0000 0.0000 163. (0.00015) RY*( 7)Cl 8 s( 11.72%)p 3.76( 44.05%)d 3.77( 44.23%) 0.0000 0.0000 -0.0084 0.3373 -0.0580 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 -0.0200 -0.6634 -0.4440 0.0000 -0.0001 0.4818 0.1144 164. (0.00006) RY*( 8)Cl 8 s( 0.00%)p 1.00( 96.75%)d 0.03( 3.25%) 165. (0.00002) RY*( 9)Cl 8 s( 7.75%)p 3.98( 30.86%)d 7.93( 61.40%) 166. (0.00000) RY*(10)Cl 8 s( 96.02%)p 0.03( 3.26%)d 0.01( 0.72%) 167. (0.07996) BD*( 1)Al 1 -Cl 3 ( 82.77%) 0.9098*Al 1 s( 29.51%)p 2.30( 67.83%)d 0.09( 2.65%) 0.0000 -0.0001 0.5431 -0.0119 -0.0016 0.0000 0.1312 0.0071 0.0000 -0.8114 -0.0523 0.0000 0.0000 0.0000 -0.0175 0.0000 0.0000 -0.1451 -0.0719 ( 17.23%) -0.4151*Cl 3 s( 28.85%)p 2.46( 70.97%)d 0.01( 0.18%) 0.0000 0.0000 0.5371 -0.0004 -0.0025 0.0000 -0.0885 -0.0003 0.0000 0.8374 -0.0249 0.0000 0.0000 0.0000 -0.0082 0.0000 0.0000 -0.0359 -0.0209 168. (0.07291) BD*( 1)Al 1 -Br 5 ( 79.73%) 0.8929*Al 1 s( 30.26%)p 2.23( 67.51%)d 0.07( 2.24%) 0.0000 0.0001 -0.5500 0.0026 -0.0024 -0.0001 -0.6688 -0.0463 0.0000 -0.4736 -0.0366 0.0000 0.0000 0.0000 -0.1343 0.0000 0.0000 -0.0195 0.0629 ( 20.27%) -0.4503*Br 5 s( 24.27%)p 3.11( 75.54%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 -0.4926 0.0098 -0.0012 0.0002 0.0000 0.0000 0.0000 0.6813 0.0143 0.0000 0.0000 0.5392 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0368 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0099 0.0000 0.0210 169. (0.13499) BD*( 1)Al 1 -Cl 7 ( 88.01%) 0.9381*Al 1 s( 20.06%)p 3.83( 76.73%)d 0.16( 3.21%) 0.0000 0.0010 -0.4477 -0.0136 0.0009 -0.0002 0.4976 0.0163 0.0001 -0.2043 -0.0064 -0.0002 -0.6894 -0.0484 0.0601 0.1384 -0.0569 -0.0640 -0.0448 ( 11.99%) -0.3463*Cl 7 s( 22.41%)p 3.46( 77.46%)d 0.01( 0.13%) 0.0000 0.0002 -0.4733 -0.0075 0.0008 0.0000 -0.6571 -0.0009 0.0000 0.2593 0.0002 0.0000 0.5249 -0.0048 0.0069 0.0284 -0.0112 -0.0074 -0.0178 170. (0.13497) BD*( 1)Al 1 -Cl 8 ( 88.01%) 0.9381*Al 1 s( 20.06%)p 3.82( 76.73%)d 0.16( 3.21%) 0.0000 -0.0010 0.4477 0.0136 -0.0009 0.0002 -0.4976 -0.0163 -0.0001 0.2043 0.0064 -0.0002 -0.6894 -0.0484 -0.0601 0.1384 -0.0569 0.0640 0.0448 ( 11.99%) -0.3463*Cl 8 s( 22.41%)p 3.46( 77.46%)d 0.01( 0.13%) 0.0000 -0.0002 0.4733 0.0075 -0.0008 0.0000 0.6571 0.0009 0.0000 -0.2593 -0.0002 0.0000 0.5248 -0.0048 -0.0069 0.0284 -0.0112 0.0074 0.0178 171. (0.07996) BD*( 1)Al 2 -Cl 4 ( 82.77%) 0.9098*Al 2 s( 29.51%)p 2.30( 67.83%)d 0.09( 2.65%) 0.0000 0.0001 -0.5431 0.0119 0.0016 0.0000 0.1313 0.0071 0.0000 -0.8114 -0.0523 0.0000 0.0000 0.0000 0.0176 0.0000 0.0000 0.1451 0.0719 ( 17.23%) -0.4151*Cl 4 s( 28.85%)p 2.46( 70.97%)d 0.01( 0.18%) 0.0000 0.0000 -0.5371 0.0004 0.0025 0.0000 -0.0886 -0.0003 0.0000 0.8374 -0.0249 0.0000 0.0000 0.0000 0.0082 0.0000 0.0000 0.0359 0.0209 172. (0.07292) BD*( 1)Al 2 -Br 6 ( 79.73%) 0.8929*Al 2 s( 30.26%)p 2.23( 67.51%)d 0.07( 2.24%) 0.0000 -0.0001 0.5500 -0.0026 0.0024 -0.0001 -0.6688 -0.0463 0.0000 -0.4737 -0.0366 0.0000 0.0000 0.0000 0.1343 0.0000 0.0000 0.0195 -0.0629 ( 20.27%) -0.4503*Br 6 s( 24.27%)p 3.11( 75.54%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 0.4926 -0.0098 0.0012 -0.0002 0.0000 0.0000 0.0000 0.6813 0.0143 0.0000 0.0000 0.5393 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 0.0368 0.0000 0.0000 0.0000 0.0000 0.0000 0.0099 0.0000 -0.0210 173. (0.13497) BD*( 1)Al 2 -Cl 7 ( 88.01%) 0.9381*Al 2 s( 20.06%)p 3.82( 76.73%)d 0.16( 3.21%) 0.0000 0.0010 -0.4477 -0.0136 0.0009 0.0002 -0.4976 -0.0163 -0.0001 0.2043 0.0064 -0.0002 -0.6894 -0.0484 0.0601 -0.1384 0.0569 -0.0640 -0.0448 ( 11.99%) -0.3463*Cl 7 s( 22.41%)p 3.46( 77.46%)d 0.01( 0.13%) 0.0000 0.0002 -0.4733 -0.0075 0.0008 0.0000 0.6571 0.0009 0.0000 -0.2593 -0.0002 0.0000 0.5249 -0.0048 0.0069 -0.0284 0.0112 -0.0074 -0.0178 174. (0.13498) BD*( 1)Al 2 -Cl 8 ( 88.01%) 0.9381*Al 2 s( 20.06%)p 3.83( 76.73%)d 0.16( 3.21%) 0.0000 -0.0010 0.4477 0.0136 -0.0009 -0.0002 0.4976 0.0163 0.0001 -0.2043 -0.0064 -0.0002 -0.6894 -0.0484 -0.0601 -0.1384 0.0569 0.0640 0.0448 ( 11.99%) -0.3463*Cl 8 s( 22.41%)p 3.46( 77.46%)d 0.01( 0.13%) 0.0000 -0.0002 0.4733 0.0075 -0.0008 0.0000 -0.6572 -0.0009 0.0000 0.2593 0.0002 0.0000 0.5249 -0.0048 -0.0069 -0.0284 0.0112 0.0074 0.0178 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 -Cl 3 90.0 275.8 90.0 279.1 3.3 -- -- -- 2. BD ( 1)Al 1 -Br 5 90.0 38.5 90.0 35.5 3.0 -- -- -- 3. BD ( 1)Al 1 -Cl 7 44.6 158.3 37.0 157.7 7.7 126.3 338.5 9.0 4. BD ( 1)Al 1 -Cl 8 135.4 158.3 143.0 157.7 7.7 53.7 338.5 9.0 5. BD ( 1)Al 2 -Cl 4 90.0 95.8 90.0 99.1 3.3 -- -- -- 6. BD ( 1)Al 2 -Br 6 90.0 218.6 90.0 215.5 3.0 -- -- -- 7. BD ( 1)Al 2 -Cl 7 44.6 338.3 37.0 337.7 7.7 126.3 158.5 9.0 8. BD ( 1)Al 2 -Cl 8 135.4 338.3 143.0 337.7 7.7 53.7 158.5 9.0 67. LP ( 1)Cl 3 -- -- 90.0 275.4 -- -- -- -- 68. LP ( 2)Cl 3 -- -- 90.0 5.8 -- -- -- -- 69. LP ( 3)Cl 3 -- -- 0.0 0.0 -- -- -- -- 70. LP ( 1)Cl 4 -- -- 90.0 95.4 -- -- -- -- 71. LP ( 2)Cl 4 -- -- 90.0 185.8 -- -- -- -- 72. LP ( 3)Cl 4 -- -- 0.0 0.0 -- -- -- -- 74. LP ( 2)Br 5 -- -- 90.0 308.6 -- -- -- -- 75. LP ( 3)Br 5 -- -- 0.0 0.0 -- -- -- -- 77. LP ( 2)Br 6 -- -- 90.0 128.6 -- -- -- -- 78. LP ( 3)Br 6 -- -- 0.0 0.0 -- -- -- -- 79. LP ( 1)Cl 7 -- -- 0.0 0.0 -- -- -- -- 80. LP ( 2)Cl 7 -- -- 90.0 68.5 -- -- -- -- 81. LP ( 1)Cl 8 -- -- 180.0 0.0 -- -- -- -- 82. LP ( 2)Cl 8 -- -- 90.0 68.5 -- -- -- -- 169. BD*( 1)Al 1 -Cl 7 44.6 158.3 37.0 157.7 7.7 126.3 338.5 9.0 170. BD*( 1)Al 1 -Cl 8 135.4 158.3 143.0 157.7 7.7 53.7 338.5 9.0 173. BD*( 1)Al 2 -Cl 7 44.6 338.3 37.0 337.7 7.7 126.3 158.5 9.0 174. BD*( 1)Al 2 -Cl 8 135.4 338.3 143.0 337.7 7.7 53.7 158.5 9.0 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 -Cl 3 / 83. RY*( 1)Al 1 0.50 1.12 0.021 1. BD ( 1)Al 1 -Cl 3 / 85. RY*( 3)Al 1 0.61 1.10 0.023 1. BD ( 1)Al 1 -Cl 3 /168. BD*( 1)Al 1 -Br 5 0.73 0.81 0.022 1. BD ( 1)Al 1 -Cl 3 /169. BD*( 1)Al 1 -Cl 7 1.90 0.75 0.035 1. BD ( 1)Al 1 -Cl 3 /170. BD*( 1)Al 1 -Cl 8 1.90 0.75 0.035 2. BD ( 1)Al 1 -Br 5 / 85. RY*( 3)Al 1 1.39 1.06 0.034 2. BD ( 1)Al 1 -Br 5 /167. BD*( 1)Al 1 -Cl 3 0.79 0.79 0.023 2. BD ( 1)Al 1 -Br 5 /169. BD*( 1)Al 1 -Cl 7 1.87 0.71 0.033 2. BD ( 1)Al 1 -Br 5 /170. BD*( 1)Al 1 -Cl 8 1.87 0.71 0.033 3. BD ( 1)Al 1 -Cl 7 / 84. RY*( 2)Al 1 0.52 1.06 0.021 3. BD ( 1)Al 1 -Cl 7 /167. BD*( 1)Al 1 -Cl 3 1.20 0.78 0.028 3. BD ( 1)Al 1 -Cl 7 /168. BD*( 1)Al 1 -Br 5 1.03 0.75 0.025 3. BD ( 1)Al 1 -Cl 7 /170. BD*( 1)Al 1 -Cl 8 2.81 0.70 0.041 3. BD ( 1)Al 1 -Cl 7 /171. BD*( 1)Al 2 -Cl 4 0.54 0.78 0.019 3. BD ( 1)Al 1 -Cl 7 /172. BD*( 1)Al 2 -Br 6 0.67 0.75 0.020 3. BD ( 1)Al 1 -Cl 7 /173. BD*( 1)Al 2 -Cl 7 0.92 0.70 0.023 3. BD ( 1)Al 1 -Cl 7 /174. BD*( 1)Al 2 -Cl 8 2.29 0.70 0.037 4. BD ( 1)Al 1 -Cl 8 / 84. RY*( 2)Al 1 0.52 1.06 0.021 4. BD ( 1)Al 1 -Cl 8 /167. BD*( 1)Al 1 -Cl 3 1.20 0.78 0.028 4. BD ( 1)Al 1 -Cl 8 /168. BD*( 1)Al 1 -Br 5 1.03 0.75 0.025 4. BD ( 1)Al 1 -Cl 8 /169. BD*( 1)Al 1 -Cl 7 2.81 0.70 0.041 4. BD ( 1)Al 1 -Cl 8 /171. BD*( 1)Al 2 -Cl 4 0.54 0.78 0.019 4. BD ( 1)Al 1 -Cl 8 /172. BD*( 1)Al 2 -Br 6 0.67 0.75 0.020 4. BD ( 1)Al 1 -Cl 8 /173. BD*( 1)Al 2 -Cl 7 2.28 0.70 0.037 4. BD ( 1)Al 1 -Cl 8 /174. BD*( 1)Al 2 -Cl 8 0.92 0.70 0.023 5. BD ( 1)Al 2 -Cl 4 / 93. RY*( 1)Al 2 0.50 1.12 0.021 5. BD ( 1)Al 2 -Cl 4 / 95. RY*( 3)Al 2 0.61 1.10 0.023 5. BD ( 1)Al 2 -Cl 4 /172. BD*( 1)Al 2 -Br 6 0.73 0.81 0.022 5. BD ( 1)Al 2 -Cl 4 /173. BD*( 1)Al 2 -Cl 7 1.90 0.75 0.035 5. BD ( 1)Al 2 -Cl 4 /174. BD*( 1)Al 2 -Cl 8 1.90 0.75 0.035 6. BD ( 1)Al 2 -Br 6 / 95. RY*( 3)Al 2 1.39 1.06 0.034 6. BD ( 1)Al 2 -Br 6 /171. BD*( 1)Al 2 -Cl 4 0.79 0.79 0.023 6. BD ( 1)Al 2 -Br 6 /173. BD*( 1)Al 2 -Cl 7 1.87 0.71 0.033 6. BD ( 1)Al 2 -Br 6 /174. BD*( 1)Al 2 -Cl 8 1.87 0.71 0.033 7. BD ( 1)Al 2 -Cl 7 / 94. RY*( 2)Al 2 0.52 1.06 0.021 7. BD ( 1)Al 2 -Cl 7 /167. BD*( 1)Al 1 -Cl 3 0.54 0.78 0.019 7. BD ( 1)Al 2 -Cl 7 /168. BD*( 1)Al 1 -Br 5 0.67 0.75 0.020 7. BD ( 1)Al 2 -Cl 7 /169. BD*( 1)Al 1 -Cl 7 0.92 0.70 0.023 7. BD ( 1)Al 2 -Cl 7 /170. BD*( 1)Al 1 -Cl 8 2.28 0.70 0.037 7. BD ( 1)Al 2 -Cl 7 /171. BD*( 1)Al 2 -Cl 4 1.20 0.78 0.028 7. BD ( 1)Al 2 -Cl 7 /172. BD*( 1)Al 2 -Br 6 1.03 0.75 0.025 7. BD ( 1)Al 2 -Cl 7 /174. BD*( 1)Al 2 -Cl 8 2.81 0.70 0.041 8. BD ( 1)Al 2 -Cl 8 / 94. RY*( 2)Al 2 0.52 1.06 0.021 8. BD ( 1)Al 2 -Cl 8 /167. BD*( 1)Al 1 -Cl 3 0.54 0.78 0.019 8. BD ( 1)Al 2 -Cl 8 /168. BD*( 1)Al 1 -Br 5 0.67 0.75 0.020 8. BD ( 1)Al 2 -Cl 8 /169. BD*( 1)Al 1 -Cl 7 2.29 0.70 0.037 8. BD ( 1)Al 2 -Cl 8 /170. BD*( 1)Al 1 -Cl 8 0.92 0.70 0.023 8. BD ( 1)Al 2 -Cl 8 /171. BD*( 1)Al 2 -Cl 4 1.20 0.78 0.028 8. BD ( 1)Al 2 -Cl 8 /172. BD*( 1)Al 2 -Br 6 1.03 0.75 0.025 8. BD ( 1)Al 2 -Cl 8 /173. BD*( 1)Al 2 -Cl 7 2.81 0.70 0.041 10. CR ( 2)Al 1 /173. BD*( 1)Al 2 -Cl 7 0.93 4.97 0.063 10. CR ( 2)Al 1 /174. BD*( 1)Al 2 -Cl 8 0.93 4.97 0.063 15. CR ( 2)Al 2 /169. BD*( 1)Al 1 -Cl 7 0.93 4.97 0.063 15. CR ( 2)Al 2 /170. BD*( 1)Al 1 -Cl 8 0.93 4.97 0.063 20. CR ( 2)Cl 3 / 83. RY*( 1)Al 1 1.02 10.60 0.093 20. CR ( 2)Cl 3 / 85. RY*( 3)Al 1 1.31 10.57 0.106 25. CR ( 2)Cl 4 / 93. RY*( 1)Al 2 1.02 10.60 0.093 25. CR ( 2)Cl 4 / 95. RY*( 3)Al 2 1.31 10.57 0.106 30. CR ( 2)Br 5 / 85. RY*( 3)Al 1 2.82 68.43 0.394 30. CR ( 2)Br 5 / 87. RY*( 5)Al 1 0.97 68.31 0.230 31. CR ( 3)Br 5 / 85. RY*( 3)Al 1 0.89 8.72 0.079 31. CR ( 3)Br 5 /167. BD*( 1)Al 1 -Cl 3 0.54 8.45 0.062 44. CR ( 2)Br 6 / 95. RY*( 3)Al 2 2.82 68.43 0.394 44. CR ( 2)Br 6 / 97. RY*( 5)Al 2 0.97 68.31 0.230 45. CR ( 3)Br 6 / 95. RY*( 3)Al 2 0.89 8.72 0.079 45. CR ( 3)Br 6 /171. BD*( 1)Al 2 -Cl 4 0.54 8.45 0.062 58. CR ( 2)Cl 7 / 84. RY*( 2)Al 1 0.74 10.68 0.080 58. CR ( 2)Cl 7 / 94. RY*( 2)Al 2 0.74 10.68 0.080 63. CR ( 2)Cl 8 / 84. RY*( 2)Al 1 0.74 10.68 0.080 63. CR ( 2)Cl 8 / 94. RY*( 2)Al 2 0.74 10.68 0.080 67. LP ( 1)Cl 3 / 83. RY*( 1)Al 1 1.21 1.29 0.035 67. LP ( 1)Cl 3 / 85. RY*( 3)Al 1 1.47 1.26 0.039 67. LP ( 1)Cl 3 / 87. RY*( 5)Al 1 0.54 1.14 0.022 67. LP ( 1)Cl 3 / 88. RY*( 6)Al 1 0.62 1.20 0.024 67. LP ( 1)Cl 3 /168. BD*( 1)Al 1 -Br 5 1.16 0.97 0.030 68. LP ( 2)Cl 3 / 83. RY*( 1)Al 1 1.57 0.74 0.031 68. LP ( 2)Cl 3 / 85. RY*( 3)Al 1 1.15 0.72 0.026 68. LP ( 2)Cl 3 / 87. RY*( 5)Al 1 0.58 0.59 0.017 68. LP ( 2)Cl 3 /168. BD*( 1)Al 1 -Br 5 6.39 0.43 0.047 68. LP ( 2)Cl 3 /169. BD*( 1)Al 1 -Cl 7 2.96 0.37 0.030 68. LP ( 2)Cl 3 /170. BD*( 1)Al 1 -Cl 8 2.96 0.37 0.030 69. LP ( 3)Cl 3 / 84. RY*( 2)Al 1 0.96 0.73 0.024 69. LP ( 3)Cl 3 / 86. RY*( 4)Al 1 2.11 0.76 0.036 69. LP ( 3)Cl 3 /169. BD*( 1)Al 1 -Cl 7 6.15 0.37 0.043 69. LP ( 3)Cl 3 /170. BD*( 1)Al 1 -Cl 8 6.15 0.37 0.043 70. LP ( 1)Cl 4 / 93. RY*( 1)Al 2 1.21 1.29 0.035 70. LP ( 1)Cl 4 / 95. RY*( 3)Al 2 1.47 1.26 0.039 70. LP ( 1)Cl 4 / 97. RY*( 5)Al 2 0.54 1.14 0.022 70. LP ( 1)Cl 4 / 98. RY*( 6)Al 2 0.62 1.20 0.024 70. LP ( 1)Cl 4 /172. BD*( 1)Al 2 -Br 6 1.16 0.97 0.030 71. LP ( 2)Cl 4 / 93. RY*( 1)Al 2 1.57 0.74 0.031 71. LP ( 2)Cl 4 / 95. RY*( 3)Al 2 1.15 0.72 0.026 71. LP ( 2)Cl 4 / 97. RY*( 5)Al 2 0.58 0.59 0.017 71. LP ( 2)Cl 4 /172. BD*( 1)Al 2 -Br 6 6.39 0.43 0.047 71. LP ( 2)Cl 4 /173. BD*( 1)Al 2 -Cl 7 2.96 0.37 0.030 71. LP ( 2)Cl 4 /174. BD*( 1)Al 2 -Cl 8 2.96 0.37 0.030 72. LP ( 3)Cl 4 / 94. RY*( 2)Al 2 0.96 0.73 0.024 72. LP ( 3)Cl 4 / 96. RY*( 4)Al 2 2.11 0.76 0.036 72. LP ( 3)Cl 4 /173. BD*( 1)Al 2 -Cl 7 6.15 0.37 0.043 72. LP ( 3)Cl 4 /174. BD*( 1)Al 2 -Cl 8 6.15 0.37 0.043 73. LP ( 1)Br 5 / 85. RY*( 3)Al 1 3.10 1.34 0.058 73. LP ( 1)Br 5 / 87. RY*( 5)Al 1 1.76 1.22 0.042 73. LP ( 1)Br 5 /167. BD*( 1)Al 1 -Cl 3 1.47 1.08 0.036 74. LP ( 2)Br 5 / 83. RY*( 1)Al 1 2.51 0.72 0.038 74. LP ( 2)Br 5 / 88. RY*( 6)Al 1 0.56 0.63 0.017 74. LP ( 2)Br 5 /167. BD*( 1)Al 1 -Cl 3 6.62 0.43 0.048 74. LP ( 2)Br 5 /169. BD*( 1)Al 1 -Cl 7 3.06 0.35 0.030 74. LP ( 2)Br 5 /170. BD*( 1)Al 1 -Cl 8 3.06 0.35 0.030 75. LP ( 3)Br 5 / 84. RY*( 2)Al 1 1.49 0.71 0.030 75. LP ( 3)Br 5 / 86. RY*( 4)Al 1 1.48 0.73 0.030 75. LP ( 3)Br 5 /169. BD*( 1)Al 1 -Cl 7 6.59 0.35 0.043 75. LP ( 3)Br 5 /170. BD*( 1)Al 1 -Cl 8 6.59 0.35 0.043 76. LP ( 1)Br 6 / 95. RY*( 3)Al 2 3.10 1.34 0.058 76. LP ( 1)Br 6 / 97. RY*( 5)Al 2 1.76 1.22 0.042 76. LP ( 1)Br 6 /171. BD*( 1)Al 2 -Cl 4 1.47 1.08 0.036 77. LP ( 2)Br 6 / 93. RY*( 1)Al 2 2.51 0.72 0.038 77. LP ( 2)Br 6 / 98. RY*( 6)Al 2 0.56 0.63 0.017 77. LP ( 2)Br 6 /171. BD*( 1)Al 2 -Cl 4 6.62 0.43 0.048 77. LP ( 2)Br 6 /173. BD*( 1)Al 2 -Cl 7 3.06 0.35 0.030 77. LP ( 2)Br 6 /174. BD*( 1)Al 2 -Cl 8 3.06 0.35 0.030 78. LP ( 3)Br 6 / 94. RY*( 2)Al 2 1.49 0.71 0.030 78. LP ( 3)Br 6 / 96. RY*( 4)Al 2 1.48 0.73 0.030 78. LP ( 3)Br 6 /173. BD*( 1)Al 2 -Cl 7 6.59 0.35 0.043 78. LP ( 3)Br 6 /174. BD*( 1)Al 2 -Cl 8 6.59 0.35 0.043 79. LP ( 1)Cl 7 / 83. RY*( 1)Al 1 0.51 1.21 0.022 79. LP ( 1)Cl 7 / 84. RY*( 2)Al 1 1.00 1.20 0.031 79. LP ( 1)Cl 7 / 93. RY*( 1)Al 2 0.51 1.21 0.022 79. LP ( 1)Cl 7 / 94. RY*( 2)Al 2 1.00 1.20 0.031 80. LP ( 2)Cl 7 /167. BD*( 1)Al 1 -Cl 3 2.80 0.50 0.034 80. LP ( 2)Cl 7 /168. BD*( 1)Al 1 -Br 5 2.64 0.48 0.032 80. LP ( 2)Cl 7 /171. BD*( 1)Al 2 -Cl 4 2.80 0.50 0.034 80. LP ( 2)Cl 7 /172. BD*( 1)Al 2 -Br 6 2.64 0.48 0.032 81. LP ( 1)Cl 8 / 83. RY*( 1)Al 1 0.51 1.21 0.022 81. LP ( 1)Cl 8 / 84. RY*( 2)Al 1 1.00 1.20 0.031 81. LP ( 1)Cl 8 / 93. RY*( 1)Al 2 0.51 1.21 0.022 81. LP ( 1)Cl 8 / 94. RY*( 2)Al 2 1.00 1.20 0.031 82. LP ( 2)Cl 8 /167. BD*( 1)Al 1 -Cl 3 2.80 0.50 0.034 82. LP ( 2)Cl 8 /168. BD*( 1)Al 1 -Br 5 2.64 0.48 0.032 82. LP ( 2)Cl 8 /171. BD*( 1)Al 2 -Cl 4 2.80 0.51 0.034 82. LP ( 2)Cl 8 /172. BD*( 1)Al 2 -Br 6 2.64 0.48 0.032 169. BD*( 1)Al 1 -Cl 7 / 83. RY*( 1)Al 1 1.29 0.37 0.069 169. BD*( 1)Al 1 -Cl 7 / 84. RY*( 2)Al 1 3.20 0.36 0.108 169. BD*( 1)Al 1 -Cl 7 /152. RY*( 6)Cl 7 0.71 0.56 0.068 169. BD*( 1)Al 1 -Cl 7 /167. BD*( 1)Al 1 -Cl 3 1.96 0.08 0.034 169. BD*( 1)Al 1 -Cl 7 /168. BD*( 1)Al 1 -Br 5 2.95 0.05 0.035 170. BD*( 1)Al 1 -Cl 8 / 83. RY*( 1)Al 1 1.29 0.37 0.069 170. BD*( 1)Al 1 -Cl 8 / 84. RY*( 2)Al 1 3.20 0.36 0.108 170. BD*( 1)Al 1 -Cl 8 /162. RY*( 6)Cl 8 0.71 0.56 0.068 170. BD*( 1)Al 1 -Cl 8 /167. BD*( 1)Al 1 -Cl 3 1.96 0.08 0.034 170. BD*( 1)Al 1 -Cl 8 /168. BD*( 1)Al 1 -Br 5 2.95 0.05 0.035 173. BD*( 1)Al 2 -Cl 7 / 93. RY*( 1)Al 2 1.29 0.37 0.069 173. BD*( 1)Al 2 -Cl 7 / 94. RY*( 2)Al 2 3.20 0.36 0.108 173. BD*( 1)Al 2 -Cl 7 /152. RY*( 6)Cl 7 0.71 0.56 0.068 173. BD*( 1)Al 2 -Cl 7 /171. BD*( 1)Al 2 -Cl 4 1.96 0.08 0.034 173. BD*( 1)Al 2 -Cl 7 /172. BD*( 1)Al 2 -Br 6 2.95 0.05 0.035 174. BD*( 1)Al 2 -Cl 8 / 93. RY*( 1)Al 2 1.29 0.37 0.069 174. BD*( 1)Al 2 -Cl 8 / 94. RY*( 2)Al 2 3.20 0.36 0.108 174. BD*( 1)Al 2 -Cl 8 /162. RY*( 6)Cl 8 0.71 0.56 0.068 174. BD*( 1)Al 2 -Cl 8 /171. BD*( 1)Al 2 -Cl 4 1.96 0.08 0.034 174. BD*( 1)Al 2 -Cl 8 /172. BD*( 1)Al 2 -Br 6 2.95 0.05 0.035 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (Al2Cl4Br2) 1. BD ( 1)Al 1 -Cl 3 1.97666 -0.71724 169(g),170(g),168(g),85(g) 2. BD ( 1)Al 1 -Br 5 1.97139 -0.68025 169(g),170(g),85(g),167(g) 3. BD ( 1)Al 1 -Cl 7 1.96833 -0.66255 170(g),174(v),167(g),168(g) 173(g),172(v),171(v),84(g) 4. BD ( 1)Al 1 -Cl 8 1.96833 -0.66259 169(g),173(v),167(g),168(g) 174(g),172(v),171(v),84(g) 5. BD ( 1)Al 2 -Cl 4 1.97666 -0.71724 174(g),173(g),172(g),95(g) 6. BD ( 1)Al 2 -Br 6 1.97139 -0.68025 174(g),173(g),95(g),171(g) 7. BD ( 1)Al 2 -Cl 7 1.96833 -0.66259 174(g),170(v),171(g),172(g) 169(g),168(v),167(v),94(g) 8. BD ( 1)Al 2 -Cl 8 1.96833 -0.66256 173(g),169(v),171(g),172(g) 170(g),168(v),167(v),94(g) 9. CR ( 1)Al 1 2.00000 -55.45011 10. CR ( 2)Al 1 1.99946 -4.93116 174(v),173(v) 11. CR ( 3)Al 1 1.99993 -2.79760 12. CR ( 4)Al 1 1.99995 -2.79531 13. CR ( 5)Al 1 1.99991 -2.79958 14. CR ( 1)Al 2 2.00000 -55.45011 15. CR ( 2)Al 2 1.99946 -4.93117 169(v),170(v) 16. CR ( 3)Al 2 1.99993 -2.79760 17. CR ( 4)Al 2 1.99995 -2.79531 18. CR ( 5)Al 2 1.99991 -2.79958 19. CR ( 1)Cl 3 2.00000 -100.47888 20. CR ( 2)Cl 3 1.99978 -10.19445 85(v),83(v) 21. CR ( 3)Cl 3 1.99998 -7.22057 22. CR ( 4)Cl 3 1.99994 -7.22483 23. CR ( 5)Cl 3 1.99999 -7.22074 24. CR ( 1)Cl 4 2.00000 -100.47889 25. CR ( 2)Cl 4 1.99978 -10.19444 95(v),93(v) 26. CR ( 3)Cl 4 1.99998 -7.22057 27. CR ( 4)Cl 4 1.99994 -7.22483 28. CR ( 5)Cl 4 1.99999 -7.22073 29. CR ( 1)Br 5 2.00000 -476.57087 30. CR ( 2)Br 5 1.99992 -68.05565 85(v),87(v) 31. CR ( 3)Br 5 1.99979 -8.33618 85(v),167(v) 32. CR ( 4)Br 5 1.99999 -55.10689 33. CR ( 5)Br 5 1.99993 -7.84022 34. CR ( 6)Br 5 1.99999 -55.10642 35. CR ( 7)Br 5 1.99995 -7.83891 36. CR ( 8)Br 5 2.00000 -55.10572 37. CR ( 9)Br 5 1.99998 -7.83699 38. CR ( 10)Br 5 1.99996 -2.66371 39. CR ( 11)Br 5 1.99999 -2.66168 40. CR ( 12)Br 5 1.99999 -2.66037 41. CR ( 13)Br 5 1.99998 -2.66356 42. CR ( 14)Br 5 1.99998 -2.66023 43. CR ( 1)Br 6 2.00000 -476.57087 44. CR ( 2)Br 6 1.99992 -68.05566 95(v),97(v) 45. CR ( 3)Br 6 1.99979 -8.33617 95(v),171(v) 46. CR ( 4)Br 6 1.99999 -55.10688 47. CR ( 5)Br 6 1.99993 -7.84022 48. CR ( 6)Br 6 1.99999 -55.10642 49. CR ( 7)Br 6 1.99995 -7.83891 50. CR ( 8)Br 6 2.00000 -55.10572 51. CR ( 9)Br 6 1.99998 -7.83699 52. CR ( 10)Br 6 1.99996 -2.66371 53. CR ( 11)Br 6 1.99999 -2.66168 54. CR ( 12)Br 6 1.99999 -2.66037 55. CR ( 13)Br 6 1.99998 -2.66356 56. CR ( 14)Br 6 1.99998 -2.66023 57. CR ( 1)Cl 7 2.00000 -100.50929 58. CR ( 2)Cl 7 1.99979 -10.28500 84(v),94(v) 59. CR ( 3)Cl 7 1.99994 -7.27763 60. CR ( 4)Cl 7 1.99998 -7.27486 61. CR ( 5)Cl 7 1.99997 -7.27763 62. CR ( 1)Cl 8 2.00000 -100.50930 63. CR ( 2)Cl 8 1.99979 -10.28501 94(v),84(v) 64. CR ( 3)Cl 8 1.99994 -7.27763 65. CR ( 4)Cl 8 1.99998 -7.27486 66. CR ( 5)Cl 8 1.99997 -7.27763 67. LP ( 1)Cl 3 1.98410 -0.88306 85(v),83(v),168(v),88(v) 87(v) 68. LP ( 2)Cl 3 1.93309 -0.33693 168(v),170(v),169(v),83(v) 85(v),87(v) 69. LP ( 3)Cl 3 1.92681 -0.33832 169(v),170(v),86(v),84(v) 70. LP ( 1)Cl 4 1.98410 -0.88306 95(v),93(v),172(v),98(v) 97(v) 71. LP ( 2)Cl 4 1.93309 -0.33693 172(v),173(v),174(v),93(v) 95(v),97(v) 72. LP ( 3)Cl 4 1.92681 -0.33832 174(v),173(v),96(v),94(v) 73. LP ( 1)Br 5 1.98212 -0.96221 85(v),87(v),167(v) 74. LP ( 2)Br 5 1.92270 -0.31460 167(v),170(v),169(v),83(v) 88(v) 75. LP ( 3)Br 5 1.91476 -0.31596 169(v),170(v),84(v),86(v) 76. LP ( 1)Br 6 1.98212 -0.96220 95(v),97(v),171(v) 77. LP ( 2)Br 6 1.92270 -0.31460 171(v),173(v),174(v),93(v) 98(v) 78. LP ( 3)Br 6 1.91476 -0.31596 174(v),173(v),94(v),96(v) 79. LP ( 1)Cl 7 1.98250 -0.80541 84(v),94(v),93(v),83(v) 80. LP ( 2)Cl 7 1.95397 -0.39092 171(v),167(v),172(v),168(v) 81. LP ( 1)Cl 8 1.98250 -0.80541 94(v),84(v),83(v),93(v) 82. LP ( 2)Cl 8 1.95397 -0.39092 167(v),171(v),168(v),172(v) 83. RY*( 1)Al 1 0.02709 0.40577 84. RY*( 2)Al 1 0.02373 0.39454 85. RY*( 3)Al 1 0.01903 0.37921 86. RY*( 4)Al 1 0.00910 0.41706 87. RY*( 5)Al 1 0.00457 0.25780 88. RY*( 6)Al 1 0.00302 0.32008 89. RY*( 7)Al 1 0.00197 0.21714 90. RY*( 8)Al 1 0.00179 0.33227 91. RY*( 9)Al 1 0.00061 0.20383 92. RY*( 10)Al 1 0.00001 1.96725 93. RY*( 1)Al 2 0.02709 0.40577 94. RY*( 2)Al 2 0.02373 0.39454 95. RY*( 3)Al 2 0.01903 0.37921 96. RY*( 4)Al 2 0.00910 0.41706 97. RY*( 5)Al 2 0.00457 0.25781 98. RY*( 6)Al 2 0.00302 0.32010 99. RY*( 7)Al 2 0.00197 0.21714 100. RY*( 8)Al 2 0.00179 0.33225 101. RY*( 9)Al 2 0.00061 0.20383 102. RY*( 10)Al 2 0.00001 1.96725 103. RY*( 1)Cl 3 0.00026 0.79299 104. RY*( 2)Cl 3 0.00014 0.82326 105. RY*( 3)Cl 3 0.00012 0.61403 106. RY*( 4)Cl 3 0.00011 0.69435 107. RY*( 5)Cl 3 0.00007 0.79701 108. RY*( 6)Cl 3 0.00004 0.76149 109. RY*( 7)Cl 3 0.00002 0.85147 110. RY*( 8)Cl 3 0.00000 4.13086 111. RY*( 9)Cl 3 0.00001 0.85277 112. RY*( 10)Cl 3 0.00000 0.85319 113. RY*( 1)Cl 4 0.00026 0.79300 114. RY*( 2)Cl 4 0.00014 0.82328 115. RY*( 3)Cl 4 0.00012 0.61405 116. RY*( 4)Cl 4 0.00011 0.69429 117. RY*( 5)Cl 4 0.00007 0.79700 118. RY*( 6)Cl 4 0.00004 0.76154 119. RY*( 7)Cl 4 0.00002 0.85143 120. RY*( 8)Cl 4 0.00000 4.13087 121. RY*( 9)Cl 4 0.00001 0.85277 122. RY*( 10)Cl 4 0.00000 0.85320 123. RY*( 1)Br 5 0.00027 0.71050 124. RY*( 2)Br 5 0.00021 0.88268 125. RY*( 3)Br 5 0.00014 0.55265 126. RY*( 4)Br 5 0.00009 0.54548 127. RY*( 5)Br 5 0.00005 0.53823 128. RY*( 6)Br 5 0.00004 4.60224 129. RY*( 7)Br 5 0.00003 4.03643 130. RY*( 8)Br 5 0.00002 0.46876 131. RY*( 9)Br 5 0.00001 11.26946 132. RY*( 10)Br 5 0.00001 2.83033 133. RY*( 11)Br 5 0.00000 43.17297 134. RY*( 12)Br 5 0.00000 22.06619 135. RY*( 1)Br 6 0.00027 0.71051 136. RY*( 2)Br 6 0.00021 0.88266 137. RY*( 3)Br 6 0.00014 0.55265 138. RY*( 4)Br 6 0.00009 0.54548 139. RY*( 5)Br 6 0.00005 0.53824 140. RY*( 6)Br 6 0.00004 4.60425 141. RY*( 7)Br 6 0.00003 4.03454 142. RY*( 8)Br 6 0.00002 0.46875 143. RY*( 9)Br 6 0.00001 11.26860 144. RY*( 10)Br 6 0.00001 2.82963 145. RY*( 11)Br 6 0.00000 43.17434 146. RY*( 12)Br 6 0.00000 22.06628 147. RY*( 1)Cl 7 0.00039 0.76018 148. RY*( 2)Cl 7 0.00033 0.77200 149. RY*( 3)Cl 7 0.00028 0.82615 150. RY*( 4)Cl 7 0.00025 1.06059 151. RY*( 5)Cl 7 0.00018 0.78457 152. RY*( 6)Cl 7 0.00015 0.59392 153. RY*( 7)Cl 7 0.00015 0.63060 154. RY*( 8)Cl 7 0.00006 0.55212 155. RY*( 9)Cl 7 0.00002 0.88258 156. RY*( 10)Cl 7 0.00000 4.14543 157. RY*( 1)Cl 8 0.00039 0.76020 158. RY*( 2)Cl 8 0.00033 0.77199 159. RY*( 3)Cl 8 0.00028 0.82614 160. RY*( 4)Cl 8 0.00025 1.06060 161. RY*( 5)Cl 8 0.00018 0.78458 162. RY*( 6)Cl 8 0.00015 0.59390 163. RY*( 7)Cl 8 0.00015 0.63060 164. RY*( 8)Cl 8 0.00006 0.55213 165. RY*( 9)Cl 8 0.00002 0.88258 166. RY*( 10)Cl 8 0.00000 4.14543 167. BD*( 1)Al 1 -Cl 3 0.07996 0.11408 168. BD*( 1)Al 1 -Br 5 0.07291 0.08875 169. BD*( 1)Al 1 -Cl 7 0.13499 0.03423 173(g),170(g),174(v),84(g) 168(g),167(g),83(g),152(g) 170. BD*( 1)Al 1 -Cl 8 0.13497 0.03426 173(v),174(g),169(g),84(g) 168(g),167(g),83(g),162(g) 171. BD*( 1)Al 2 -Cl 4 0.07996 0.11408 172. BD*( 1)Al 2 -Br 6 0.07292 0.08875 173. BD*( 1)Al 2 -Cl 7 0.13497 0.03426 170(v),169(g),174(g),94(g) 172(g),171(g),93(g),152(g) 174. BD*( 1)Al 2 -Cl 8 0.13498 0.03424 170(g),173(g),169(v),94(g) 172(g),171(g),93(g),162(g) ------------------------------- Total Lewis 162.96566 ( 99.3693%) Valence non-Lewis 0.84566 ( 0.5156%) Rydberg non-Lewis 0.18868 ( 0.1151%) ------------------------------- 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 --- -7.4670 -1.7427 -0.0110 -0.0109 0.0107 1.6094 Low frequencies --- 14.4390 51.8515 73.7896 Diagonal vibrational polarizability: 104.7095706 56.8998496 34.7518798 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 -- 14.4390 51.8515 73.7892 Red. masses -- 43.7746 46.6162 52.4956 Frc consts -- 0.0054 0.0738 0.1684 IR Inten -- 0.3018 0.0100 0.0000 Atom AN X Y Z X Y Z X Y Z 1 13 0.07 -0.11 0.00 0.00 0.00 0.15 0.20 0.15 0.00 2 13 0.07 -0.11 0.00 0.00 0.00 0.15 -0.20 -0.15 0.00 3 17 0.47 -0.07 0.00 0.00 0.00 0.56 0.44 0.17 0.00 4 17 0.47 -0.07 0.00 0.00 0.00 0.56 -0.44 -0.17 0.00 5 35 -0.21 0.24 0.00 0.00 0.00 -0.37 0.44 -0.13 0.00 6 35 -0.21 0.24 0.00 0.00 0.00 -0.37 -0.44 0.13 0.00 7 17 -0.04 -0.39 0.00 0.00 0.00 0.16 0.00 0.00 -0.08 8 17 -0.04 -0.39 0.00 0.00 0.00 0.16 0.00 0.00 0.08 4 5 6 A A A Frequencies -- 105.3071 115.7261 121.5134 Red. masses -- 39.0311 36.5287 34.9094 Frc consts -- 0.2550 0.2882 0.3037 IR Inten -- 0.0000 0.0000 7.0574 Atom AN X Y Z X Y Z X Y Z 1 13 -0.05 -0.29 0.00 0.00 0.00 -0.09 0.00 0.00 -0.33 2 13 0.05 0.29 0.00 0.00 0.00 0.09 0.00 0.00 -0.33 3 17 0.54 -0.24 0.00 0.00 0.00 -0.24 0.00 0.00 0.40 4 17 -0.54 0.24 0.00 0.00 0.00 0.24 0.00 0.00 0.40 5 35 -0.20 -0.14 0.00 0.00 0.00 0.14 0.00 0.00 0.14 6 35 0.20 0.14 0.00 0.00 0.00 -0.14 0.00 0.00 0.14 7 17 0.00 0.00 -0.04 0.31 0.57 0.00 0.00 0.00 -0.46 8 17 0.00 0.00 0.04 -0.31 -0.57 0.00 0.00 0.00 -0.46 7 8 9 A A A Frequencies -- 124.2438 159.7277 161.9295 Red. masses -- 37.5972 31.3048 38.9771 Frc consts -- 0.3419 0.4706 0.6022 IR Inten -- 11.7248 0.0000 6.9723 Atom AN X Y Z X Y Z X Y Z 1 13 -0.25 0.19 0.00 0.00 0.00 0.53 0.04 0.19 0.00 2 13 -0.25 0.19 0.00 0.00 0.00 -0.53 0.04 0.19 0.00 3 17 0.42 0.27 0.00 0.00 0.00 -0.27 -0.25 0.18 0.00 4 17 0.42 0.27 0.00 0.00 0.00 0.27 -0.25 0.18 0.00 5 35 0.04 -0.21 0.00 0.00 0.00 -0.09 0.21 0.08 0.00 6 35 0.04 -0.21 0.00 0.00 0.00 0.09 0.21 0.08 0.00 7 17 -0.32 0.07 0.00 -0.33 0.18 0.00 -0.27 -0.50 0.00 8 17 -0.32 0.07 0.00 0.33 -0.18 0.00 -0.27 -0.50 0.00 10 11 12 A A A Frequencies -- 194.8609 264.6276 285.8752 Red. masses -- 36.3085 31.0757 37.8605 Frc consts -- 0.8123 1.2822 1.8230 IR Inten -- 0.0000 0.0000 33.5985 Atom AN X Y Z X Y Z X Y Z 1 13 -0.32 0.29 0.00 0.00 0.00 -0.50 0.08 -0.19 0.00 2 13 0.32 -0.29 0.00 0.00 0.00 0.50 0.08 -0.19 0.00 3 17 0.09 0.42 0.00 0.00 0.00 -0.04 0.06 -0.37 0.00 4 17 -0.09 -0.42 0.00 0.00 0.00 0.04 0.06 -0.37 0.00 5 35 -0.12 -0.18 0.00 0.00 0.00 -0.02 0.16 0.13 0.00 6 35 0.12 0.18 0.00 0.00 0.00 0.02 0.15 0.13 0.00 7 17 0.00 0.00 0.29 -0.47 0.19 0.00 -0.47 0.23 0.00 8 17 0.00 0.00 -0.29 0.47 -0.19 0.00 -0.47 0.23 0.00 13 14 15 A A A Frequencies -- 309.9380 412.0413 430.5751 Red. masses -- 36.7203 29.3412 30.4830 Frc consts -- 2.0783 2.9350 3.3297 IR Inten -- 0.0000 137.4647 412.6285 Atom AN X Y Z X Y Z X Y Z 1 13 -0.05 -0.10 0.00 0.00 0.00 0.59 0.63 -0.07 0.00 2 13 0.05 0.10 0.00 0.00 0.00 0.59 0.63 -0.07 0.00 3 17 0.05 -0.25 0.00 0.00 0.00 -0.04 -0.04 0.20 0.00 4 17 -0.05 0.25 0.00 0.00 0.00 -0.04 -0.04 0.20 0.00 5 35 0.12 0.09 0.00 0.00 0.00 -0.02 -0.12 -0.09 0.00 6 35 -0.12 -0.09 0.00 0.00 0.00 -0.02 -0.12 -0.09 0.00 7 17 0.00 0.00 0.63 0.00 0.00 -0.38 -0.18 0.06 0.00 8 17 0.00 0.00 -0.63 0.00 0.00 -0.38 -0.18 0.06 0.00 16 17 18 A A A Frequencies -- 470.7954 577.4877 585.2714 Red. masses -- 29.8371 29.4267 29.3752 Frc consts -- 3.8965 5.7820 5.9285 IR Inten -- 0.0000 0.0000 306.7315 Atom AN X Y Z X Y Z X Y Z 1 13 0.65 -0.04 0.00 0.10 0.61 0.00 0.15 0.60 0.00 2 13 -0.65 0.04 0.00 -0.10 -0.61 0.00 0.15 0.60 0.00 3 17 -0.04 0.15 0.00 0.03 -0.34 0.00 0.03 -0.32 0.00 4 17 0.04 -0.15 0.00 -0.03 0.34 0.00 0.03 -0.32 0.00 5 35 -0.11 -0.08 0.00 -0.06 -0.05 0.00 -0.06 -0.05 0.00 6 35 0.11 0.08 0.00 0.06 0.05 0.00 -0.06 -0.05 0.00 7 17 0.00 0.00 0.17 0.00 0.00 -0.02 0.00 -0.02 0.00 8 17 0.00 0.00 -0.17 0.00 0.00 0.02 0.00 -0.02 0.00 ------------------- - 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 17 and mass 34.96885 Atom 4 has atomic number 17 and mass 34.96885 Atom 5 has atomic number 35 and mass 78.91834 Atom 6 has atomic number 35 and mass 78.91834 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 -- 2884.885407761.164949310.91277 X 0.99967 -0.02570 0.00000 Y 0.02570 0.99967 0.00000 Z 0.00000 0.00000 1.00000 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.03002 0.01116 0.00930 Rotational constants (GHZ): 0.62559 0.23253 0.19383 Zero-point vibrational energy 26676.7 (Joules/Mol) 6.37589 (Kcal/Mol) Warning -- explicit consideration of 18 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 20.77 74.60 106.17 151.51 166.50 (Kelvin) 174.83 178.76 229.81 232.98 280.36 380.74 411.31 445.93 592.83 619.50 677.37 830.88 842.07 Zero-point correction= 0.010161 (Hartree/Particle) Thermal correction to Energy= 0.022632 Thermal correction to Enthalpy= 0.023576 Thermal correction to Gibbs Free Energy= -0.033966 Sum of electronic and zero-point Energies= -7469.527429 Sum of electronic and thermal Energies= -7469.514958 Sum of electronic and thermal Enthalpies= -7469.514014 Sum of electronic and thermal Free Energies= -7469.571556 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 14.202 36.659 121.106 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 43.467 Rotational 0.889 2.981 33.699 Vibrational 12.424 30.697 43.941 Vibration 1 0.593 1.986 7.281 Vibration 2 0.596 1.977 4.745 Vibration 3 0.599 1.966 4.050 Vibration 4 0.605 1.945 3.354 Vibration 5 0.608 1.936 3.171 Vibration 6 0.609 1.931 3.076 Vibration 7 0.610 1.929 3.033 Vibration 8 0.622 1.892 2.553 Vibration 9 0.622 1.889 2.527 Vibration 10 0.636 1.847 2.181 Vibration 11 0.671 1.738 1.631 Vibration 12 0.684 1.700 1.498 Vibration 13 0.699 1.655 1.363 Vibration 14 0.776 1.444 0.919 Vibration 15 0.792 1.404 0.857 Vibration 16 0.828 1.315 0.735 Vibration 17 0.934 1.080 0.490 Vibration 18 0.942 1.063 0.476 Q Log10(Q) Ln(Q) Total Bot 0.419854D+16 15.623099 35.973514 Total V=0 0.197994D+21 20.296653 46.734771 Vib (Bot) 0.313372D+01 0.496061 1.142222 Vib (Bot) 1 0.143488D+02 1.156816 2.663668 Vib (Bot) 2 0.398610D+01 0.600548 1.382813 Vib (Bot) 3 0.279355D+01 0.446157 1.027315 Vib (Bot) 4 0.194680D+01 0.289321 0.666187 Vib (Bot) 5 0.176759D+01 0.247381 0.569617 Vib (Bot) 6 0.168118D+01 0.225613 0.519494 Vib (Bot) 7 0.164317D+01 0.215682 0.496626 Vib (Bot) 8 0.126580D+01 0.102363 0.235700 Vib (Bot) 9 0.124773D+01 0.096122 0.221329 Vib (Bot) 10 0.102526D+01 0.010833 0.024943 Vib (Bot) 11 0.732299D+00 -0.135312 -0.311567 Vib (Bot) 12 0.670436D+00 -0.173643 -0.399827 Vib (Bot) 13 0.610121D+00 -0.214584 -0.494098 Vib (Bot) 14 0.428723D+00 -0.367823 -0.846944 Vib (Bot) 15 0.404484D+00 -0.393099 -0.905144 Vib (Bot) 16 0.358035D+00 -0.446075 -1.027125 Vib (Bot) 17 0.264534D+00 -0.577518 -1.329784 Vib (Bot) 18 0.258986D+00 -0.586724 -1.350983 Vib (V=0) 0.147780D+06 5.169615 11.903478 Vib (V=0) 1 0.148575D+02 1.171947 2.698507 Vib (V=0) 2 0.451734D+01 0.654882 1.507922 Vib (V=0) 3 0.333795D+01 0.523480 1.205356 Vib (V=0) 4 0.250998D+01 0.399671 0.920276 Vib (V=0) 5 0.233695D+01 0.368649 0.848845 Vib (V=0) 6 0.225395D+01 0.352945 0.812686 Vib (V=0) 7 0.221756D+01 0.345875 0.796406 Vib (V=0) 8 0.186097D+01 0.269739 0.621097 Vib (V=0) 9 0.184419D+01 0.265805 0.612039 Vib (V=0) 10 0.164068D+01 0.215024 0.495111 Vib (V=0) 11 0.138671D+01 0.141987 0.326937 Vib (V=0) 12 0.133635D+01 0.125921 0.289943 Vib (V=0) 13 0.128883D+01 0.110195 0.253732 Vib (V=0) 14 0.115864D+01 0.063948 0.147245 Vib (V=0) 15 0.114312D+01 0.058093 0.133764 Vib (V=0) 16 0.111497D+01 0.047263 0.108828 Vib (V=0) 17 0.106567D+01 0.027621 0.063600 Vib (V=0) 18 0.106309D+01 0.026571 0.061182 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.259220D+09 8.413668 19.373186 Rotational 0.516857D+07 6.713370 15.458106 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 13 -0.000053473 -0.000048138 0.000007017 2 13 0.000051902 0.000048909 -0.000003284 3 17 -0.000009057 0.000020575 -0.000000077 4 17 0.000009148 -0.000020585 0.000000012 5 35 0.000031676 0.000048949 0.000000004 6 35 -0.000031473 -0.000048723 0.000000034 7 17 0.000005282 -0.000002333 -0.000043982 8 17 -0.000004006 0.000001346 0.000040276 ------------------------------------------------------------------- Cartesian Forces: Max 0.000053473 RMS 0.000030074 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 --- 0.00037 0.00524 0.01116 0.01715 0.01914 Eigenvalues --- 0.02079 0.02394 0.03089 0.03957 0.05513 Eigenvalues --- 0.08459 0.12139 0.13938 0.19121 0.24295 Eigenvalues --- 0.28360 0.39188 0.39972 Angle between quadratic step and forces= 66.51 degrees. Linear search not attempted -- first point. TrRot= -0.000016 0.000018 0.000001 0.000011 0.000001 0.000011 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) X1 2.83349 -0.00005 0.00000 -0.00028 -0.00027 2.83322 Y1 -1.12979 -0.00005 0.00000 -0.00027 -0.00018 -1.12997 Z1 -0.00008 0.00001 0.00000 0.00009 0.00009 0.00001 X2 -2.83354 0.00005 0.00000 0.00030 0.00026 -2.83329 Y2 1.12989 0.00005 0.00000 0.00020 0.00016 1.13005 Z2 0.00008 0.00000 0.00000 -0.00009 -0.00008 -0.00001 X3 3.23435 -0.00001 0.00000 -0.00064 -0.00055 3.23381 Y3 -5.07185 0.00002 0.00000 -0.00017 -0.00008 -5.07193 Z3 0.00004 0.00000 0.00000 -0.00001 -0.00001 0.00003 X4 -3.23487 0.00001 0.00000 0.00113 0.00100 -3.23387 Y4 5.07191 -0.00002 0.00000 0.00015 0.00010 5.07201 Z4 -0.00004 0.00000 0.00000 0.00001 0.00002 -0.00002 X5 6.12721 0.00003 0.00000 -0.00061 -0.00066 6.12655 Y5 1.49446 0.00005 0.00000 0.00071 0.00087 1.49533 Z5 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 X6 -6.12696 -0.00003 0.00000 0.00033 0.00034 -6.12662 Y6 -1.49473 -0.00005 0.00000 -0.00039 -0.00051 -1.49525 Z6 -0.00002 0.00000 0.00000 0.00002 0.00002 0.00000 X7 -0.00002 0.00001 0.00000 -0.00001 -0.00002 -0.00004 Y7 0.00025 0.00000 0.00000 -0.00021 -0.00019 0.00005 Z7 3.08955 -0.00004 0.00000 -0.00024 -0.00024 3.08931 X8 0.00007 0.00000 0.00000 -0.00008 -0.00010 -0.00003 Y8 0.00019 0.00000 0.00000 -0.00018 -0.00016 0.00003 Z8 -3.08951 0.00004 0.00000 0.00020 0.00020 -3.08931 Item Value Threshold Converged? Maximum Force 0.000053 0.000450 YES RMS Force 0.000030 0.000300 YES Maximum Displacement 0.000996 0.001800 YES RMS Displacement 0.000369 0.001200 YES Predicted change in Energy=-5.717496D-08 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-108|Freq|RB3LYP|6-31G(d,p)|Al2Br2Cl4|AK8916 |24-May-2018|0||# freq b3lyp/6-31g(d,p) pop=(nbo,full) geom=connectivi ty||Frequency Table||0,1|Al,1.499418,-0.597859,-0.000043|Al,-1.499447, 0.597914,0.000041|Cl,1.711546,-2.683906,0.000021|Cl,-1.71182,2.683937, -0.000021|Br,3.24238,0.790832,0.000003|Br,-3.24225,-0.790979,-0.000012 |Cl,-0.00001,0.00013,1.634919|Cl,0.000037,0.000098,-1.634898||Version= EM64W-G09RevD.01|State=1-A|HF=-7469.53759|RMSD=1.199e-009|RMSF=3.007e- 005|ZeroPoint=0.0101606|Thermal=0.0226317|Dipole=0.0000727,0.0000341,- 0.0000281|DipoleDeriv=2.2134983,-0.0400031,0.0000032,-0.0738529,1.8657 434,-0.0000037,0.0000075,-0.0000067,1.239585,2.2134785,-0.0400174,0.00 00093,-0.0738285,1.8657655,-0.0000034,0.0000141,-0.0000066,1.2395855,- 0.4359034,0.0459144,-0.0000009,0.1427494,-0.9951792,0.0000097,-0.00000 32,0.0000179,-0.3114119,-0.4359184,0.045984,-0.0000017,0.1428124,-0.99 51788,0.000011,-0.0000044,0.0000183,-0.3114131,-0.7340932,-0.2345199,- 0.0000029,-0.3259039,-0.4814556,-0.0000031,-0.0000097,-0.0000072,-0.23 60335,-0.7340278,-0.234532,-0.000006,-0.3259265,-0.4815176,-0.0000051, -0.0000128,-0.0000085,-0.2360353,-1.0435148,0.2285859,-0.0000101,0.256 9734,-0.3890905,-0.0000286,-0.0000079,-0.0000284,-0.6921448,-1.0435192 ,0.2285881,0.0000091,0.2569767,-0.3890872,0.0000231,0.0000164,0.000021 2,-0.6921319|Polar=127.8804674,3.209099,117.7839116,0.0001781,-0.00012 73,87.1800567|PG=C01 [X(Al2Br2Cl4)]|NImag=0||0.16838483,0.03172594,0.2 4014082,0.00002138,-0.00000992,0.07928057,-0.01897174,0.00975624,0.000 00011,0.16837785,0.00975474,0.00216767,0.00000014,0.03171503,0.2401495 9,0.00000031,0.00000009,0.03616575,0.00001601,-0.00000725,0.07928422,- 0.01167223,0.01386527,-0.00000059,0.00145526,-0.00129654,0.00000004,0. 01287181,0.01193141,-0.15472407,0.00000501,-0.00396786,0.00012601,-0.0 0000005,-0.01702298,0.16921862,-0.00000051,0.00000443,-0.00920056,0.00 000010,-0.00000004,-0.00464646,0.00000076,-0.00000501,0.00820893,0.001 45579,-0.00129668,0.00000009,-0.01167522,0.01388195,-0.00000053,-0.000 13465,0.00062358,-0.00000002,0.01287592,-0.00396719,0.00012642,-0.0000 0009,0.01194812,-0.15472014,0.00000471,0.00062343,-0.00054552,0.000000 01,-0.01704127,0.16921382,0.00000007,-0.00000006,-0.00464664,-0.000000 47,0.00000431,-0.00920066,-0.00000002,0.,0.00068634,0.00000070,-0.0000 0479,0.00820887,-0.08913214,-0.06605659,-0.00000255,0.00339913,-0.0018 8632,0.00000001,0.00048057,-0.00187298,-0.00000004,-0.00039483,0.00110 971,-0.00000001,0.10092764,-0.06412985,-0.06254534,-0.00000210,0.00093 520,-0.00188313,-0.00000006,-0.00576115,-0.00627959,0.00000002,0.00003 308,0.00074722,0.,0.07243435,0.06659065,-0.00000219,-0.00000177,-0.008 56311,0.00000005,-0.00000012,-0.00439881,0.00000002,0.00000008,0.00267 402,0.,0.00000002,0.00057925,0.00000263,0.00000192,0.00763337,0.003398 94,-0.00188661,0.00000010,-0.08911713,-0.06605928,-0.00000275,-0.00039 457,0.00110972,-0.00000002,0.00048148,-0.00187222,-0.00000005,-0.00087 612,-0.00019410,-0.00000002,0.10091107,0.00093558,-0.00188373,-0.00000 005,-0.06413283,-0.06256107,-0.00000229,0.00003305,0.00074751,0.,-0.00 576041,-0.00628049,-0.00000002,-0.00019417,0.00023117,0.00000002,0.072 43834,0.06660790,0.00000005,-0.00000009,-0.00439867,-0.00000251,-0.000 00208,-0.00856349,0.,0.00000002,0.00057918,0.,0.00000007,0.00267398,0. ,0.00000002,0.00069682,0.00000287,0.00000222,0.00763404,-0.02672329,0. 00694271,0.01319396,-0.02674024,0.00694761,-0.01321265,-0.00130323,0.0 0459964,0.00393045,-0.00130406,0.00459959,-0.00393108,-0.00720203,-0.0 0165874,0.00613648,-0.00720174,-0.00165980,-0.00613689,0.06369627,0.00 687122,-0.01164008,-0.00525509,0.00687542,-0.01164033,0.00525773,0.004 77925,-0.00427138,-0.00488463,0.00477998,-0.00427067,0.00488501,-0.001 76675,0.00156947,0.00079976,-0.00176813,0.00156938,-0.00080040,-0.0182 7473,0.02468630,0.02257345,-0.00873616,-0.04430950,-0.02259232,0.00873 927,-0.04432702,0.00193958,-0.00185749,0.00084928,-0.00193993,0.001857 24,0.00084937,0.00271261,-0.00010738,0.00068918,-0.00271296,0.00010727 ,0.00068905,0.00001903,-0.00000222,0.10546122,-0.02674017,0.00694971,- 0.01321250,-0.02672792,0.00694281,0.01319956,-0.00130297,0.00459947,-0 .00393072,-0.00130443,0.00459984,0.00393086,-0.00720224,-0.00165879,-0 .00613697,-0.00720193,-0.00165977,0.00613647,0.00677833,-0.00149627,0. 00000053,0.06370132,0.00687814,-0.01164169,0.00526210,0.00687068,-0.01 163861,-0.00525287,0.00477967,-0.00427159,0.00488522,0.00477977,-0.004 27064,-0.00488447,-0.00176727,0.00156955,-0.00079992,-0.00176772,0.001 56932,0.00080023,-0.00149627,0.00399731,-0.00000053,-0.01827700,0.0246 8634,-0.02259256,0.00874347,-0.04432785,0.02257902,-0.00873424,-0.0443 1353,-0.00193979,0.00185743,0.00084928,0.00193968,-0.00185717,0.000849 49,-0.00271265,0.00010758,0.00068928,0.00271283,-0.00010715,0.00068909 ,0.00000069,-0.00000015,-0.01990158,0.00001277,-0.00000977,0.10546582| |0.00005347,0.00004814,-0.00000702,-0.00005190,-0.00004891,0.00000328, 0.00000906,-0.00002058,0.00000008,-0.00000915,0.00002059,-0.00000001,- 0.00003168,-0.00004895,0.,0.00003147,0.00004872,-0.00000003,-0.0000052 8,0.00000233,0.00004398,0.00000401,-0.00000135,-0.00004028|||@ IT IS WELL TO REMEMBER THAT MAN IS A PART OF NATURE AND THAT HIS WORKS, WHATEVER THEY MAY BE, ARE NO MORE "UNNATURAL" THAN THE FLIGHT OF AN EAGLE OR THE PASSAGE OF A TORNADO. -- CHARLES MCCARRY IN "THE GREAT SOUTHWEST" Job cpu time: 0 days 0 hours 1 minutes 49.0 seconds. File lengths (MBytes): RWF= 48 Int= 0 D2E= 0 Chk= 3 Scr= 1 Normal termination of Gaussian 09 at Thu May 24 14:53:26 2018.