Entering Gaussian System, Link 0=g03 Initial command: /apps/gaussian/g09_b01/g09/l1.exe /home/scan-user-1/run/47800/Gau-7094.inp -scrdir=/home/scan-user-1/run/47800/ Entering Link 1 = /apps/gaussian/g09_b01/g09/l1.exe PID= 7095. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2010, 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 B.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, 2010. ****************************************** Gaussian 09: EM64L-G09RevB.01 12-Aug-2010 31-Oct-2011 ****************************************** %nprocshared=4 Will use up to 4 processors via shared memory. %mem=7000MB %NoSave %Chk=chk.chk %rwf=/tmp/pbs.226731.cx1b/rwf --------------------------------------------------------- # freq b3lyp/6-311g(d,p) geom=connectivity pop=(full,nbo) --------------------------------------------------------- 1/10=4,30=1,38=1,57=2/1,3; 2/12=2,17=6,18=5,40=1/2; 3/5=4,6=6,7=101,11=2,16=1,25=1,30=1,71=2,74=-5/1,2,3; 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=1/1,7; 7/8=1,10=1,25=1/1,2,3,16; 1/10=4,30=1/3; 99//99; ------------- ben_frequency ------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C -0.17672 -1.38375 0.00056 C 1.11011 -0.84472 0.00056 C 1.28685 0.53875 0.00056 C 0.17645 1.38387 -0.00064 C -1.11003 0.84489 -0.00111 C -1.28666 -0.53902 -0.00012 H -0.31585 -2.47453 0.00101 H 1.98496 -1.51096 0.00188 H 2.30111 0.9637 0.0012 H 0.31606 2.47465 -0.00069 H -1.98536 1.51068 -0.00207 H -2.30095 -0.96369 -0.0003 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 6 0 -0.176717 -1.383752 0.000564 2 6 0 1.110106 -0.844719 0.000564 3 6 0 1.286853 0.538749 0.000564 4 6 0 0.176454 1.383870 -0.000635 5 6 0 -1.110030 0.844894 -0.001114 6 6 0 -1.286660 -0.539018 -0.000118 7 1 0 -0.315850 -2.474525 0.001014 8 1 0 1.984956 -1.510960 0.001879 9 1 0 2.301110 0.963695 0.001198 10 1 0 0.316060 2.474652 -0.000694 11 1 0 -1.985357 1.510684 -0.002067 12 1 0 -2.300948 -0.963691 -0.000298 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.395159 0.000000 3 C 2.416205 1.394713 0.000000 4 C 2.790065 2.416261 1.395427 0.000000 5 C 2.416183 2.789946 2.416356 1.394825 0.000000 6 C 1.394830 2.416183 2.790081 2.416237 1.395139 7 H 1.099611 2.165553 3.412987 3.889676 3.413103 8 H 2.165413 1.099655 2.165331 3.413316 3.889601 9 H 3.413229 2.165376 1.099680 2.165806 3.413209 10 H 3.889744 3.413024 2.165678 1.099680 2.165605 11 H 3.413055 3.889707 3.413506 2.165528 1.099761 12 H 2.165366 3.413128 3.889684 3.412999 2.165471 6 7 8 9 10 6 C 0.000000 7 H 2.165332 0.000000 8 H 3.412938 2.494427 0.000000 9 H 3.889761 4.320861 2.494769 0.000000 10 H 3.413344 4.989355 4.320917 2.494678 0.000000 11 H 2.165516 4.320782 4.989362 4.321227 2.495147 12 H 1.099603 2.494641 4.320704 4.989364 4.320988 11 12 11 H 0.000000 12 H 2.494420 0.000000 Stoichiometry C6H6 Framework group C1[X(C6H6)] Deg. of freedom 30 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 6 0 -0.177478 -1.383655 0.000564 2 6 0 1.109641 -0.845329 0.000564 3 6 0 1.287149 0.538042 0.000564 4 6 0 0.177214 1.383773 -0.000635 5 6 0 -1.109566 0.845504 -0.001114 6 6 0 -1.286956 -0.538311 -0.000118 7 1 0 -0.317210 -2.474351 0.001014 8 1 0 1.984125 -1.512051 0.001879 9 1 0 2.301639 0.962430 0.001198 10 1 0 0.317420 2.474478 -0.000694 11 1 0 -1.984527 1.511775 -0.002067 12 1 0 -2.301477 -0.962426 -0.000298 --------------------------------------------------------------------- Rotational constants (GHZ): 5.6865632 5.6862635 2.8432068 Standard basis: 6-311G(d,p) (5D, 7F) There are 144 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. 144 basis functions, 240 primitive gaussians, 150 cartesian basis functions 21 alpha electrons 21 beta electrons nuclear repulsion energy 203.0307306120 Hartrees. NAtoms= 12 NActive= 12 NUniq= 12 SFac= 1.00D+00 NAtFMM= 50 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 144 RedAO= T NBF= 144 NBsUse= 144 1.00D-06 NBFU= 144 Harris functional with IExCor= 402 diagonalized for initial guess. ExpMin= 1.03D-01 ExpMax= 4.56D+03 ExpMxC= 6.82D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 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 Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Initial guess orbital symmetries: Occupied (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) (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 of the initial guess is 1-A. 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. Keep R1 ints in memory in canonical form, NReq=66043387. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -232.307666173 A.U. after 11 cycles Convg = 0.3585D-08 -V/T = 2.0051 Range of M.O.s used for correlation: 1 144 NBasis= 144 NAE= 21 NBE= 21 NFC= 0 NFV= 0 NROrb= 144 NOA= 21 NOB= 21 NVA= 123 NVB= 123 **** Warning!!: The largest alpha MO coefficient is 0.17957549D+02 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 13 centers at a time, making 1 passes doing MaxLOS=2. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. FoFDir/FoFCou used for L=0 through L=2. End of G2Drv Frequency-dependent properties file 721 does not exist. End of G2Drv Frequency-dependent properties file 722 does not exist. IDoAtm=111111111111 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=64957273. There are 39 degrees of freedom in the 1st order CPHF. IDoFFX=5. 36 vectors produced by pass 0 Test12= 6.62D-15 2.56D-09 XBig12= 9.18D+01 4.86D+00. AX will form 36 AO Fock derivatives at one time. 36 vectors produced by pass 1 Test12= 6.62D-15 2.56D-09 XBig12= 1.51D+01 9.41D-01. 36 vectors produced by pass 2 Test12= 6.62D-15 2.56D-09 XBig12= 1.48D-01 9.67D-02. 36 vectors produced by pass 3 Test12= 6.62D-15 2.56D-09 XBig12= 1.97D-04 2.22D-03. 36 vectors produced by pass 4 Test12= 6.62D-15 2.56D-09 XBig12= 1.77D-07 1.20D-04. 28 vectors produced by pass 5 Test12= 6.62D-15 2.56D-09 XBig12= 8.44D-11 1.62D-06. 7 vectors produced by pass 6 Test12= 6.62D-15 2.56D-09 XBig12= 6.05D-14 5.21D-08. 2 vectors produced by pass 7 Test12= 6.62D-15 2.56D-09 XBig12= 1.04D-16 3.05D-09. Inverted reduced A of dimension 217 with in-core refinement. Isotropic polarizability for W= 0.000000 59.96 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. End of Minotr Frequency-dependent properties file 722 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) 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) (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 -- -10.17709 -10.17686 -10.17685 -10.17631 -10.17630 Alpha occ. eigenvalues -- -10.17604 -0.85591 -0.74710 -0.74707 -0.60316 Alpha occ. eigenvalues -- -0.60311 -0.52374 -0.45969 -0.45001 -0.42297 Alpha occ. eigenvalues -- -0.42296 -0.36992 -0.34661 -0.34653 -0.25673 Alpha occ. eigenvalues -- -0.25669 Alpha virt. eigenvalues -- -0.00997 -0.00991 0.03940 0.07522 0.07523 Alpha virt. eigenvalues -- 0.10945 0.10946 0.13384 0.14748 0.26701 Alpha virt. eigenvalues -- 0.26706 0.28178 0.28186 0.30067 0.34244 Alpha virt. eigenvalues -- 0.38977 0.40121 0.40123 0.41930 0.43447 Alpha virt. eigenvalues -- 0.43451 0.44585 0.44587 0.44989 0.52447 Alpha virt. eigenvalues -- 0.52450 0.53335 0.59823 0.59827 0.60209 Alpha virt. eigenvalues -- 0.60213 0.60215 0.65197 0.68294 0.72657 Alpha virt. eigenvalues -- 0.72665 0.73885 0.73887 0.79468 0.83902 Alpha virt. eigenvalues -- 0.85073 0.85079 0.93565 1.00273 1.00280 Alpha virt. eigenvalues -- 1.01377 1.07963 1.07965 1.14083 1.14086 Alpha virt. eigenvalues -- 1.23596 1.25838 1.40654 1.44240 1.44242 Alpha virt. eigenvalues -- 1.48596 1.54647 1.55095 1.55098 1.57786 Alpha virt. eigenvalues -- 1.57789 1.64137 1.64144 1.70090 1.73593 Alpha virt. eigenvalues -- 1.73600 1.76449 1.76453 1.83482 1.89093 Alpha virt. eigenvalues -- 1.89817 1.89820 1.91585 1.91844 1.91858 Alpha virt. eigenvalues -- 1.97858 1.97868 2.06816 2.06822 2.18768 Alpha virt. eigenvalues -- 2.28173 2.28174 2.30164 2.34549 2.37402 Alpha virt. eigenvalues -- 2.37407 2.55305 2.57374 2.58465 2.58478 Alpha virt. eigenvalues -- 2.61833 2.61837 2.64011 2.64776 2.64779 Alpha virt. eigenvalues -- 2.68675 2.70970 2.70973 2.83674 2.83677 Alpha virt. eigenvalues -- 2.88189 2.88198 2.88716 3.04272 3.06072 Alpha virt. eigenvalues -- 3.31689 3.31711 3.44670 3.45294 3.45309 Alpha virt. eigenvalues -- 3.64510 3.93689 3.93696 4.05718 4.09676 Alpha virt. eigenvalues -- 4.09679 4.83277 23.48944 23.92872 23.92914 Alpha virt. eigenvalues -- 24.08078 24.08121 24.18510 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -10.17709 -10.17686 -10.17685 -10.17631 -10.17630 1 1 C 1S 0.21039 0.32810 -0.07127 0.30954 -0.06070 2 2S 0.17341 0.27007 -0.05866 0.25464 -0.04993 3 2PX 0.00004 -0.00018 -0.00084 0.00008 0.00060 4 2PY 0.00030 0.00008 0.00010 -0.00034 -0.00001 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00603 0.01107 -0.00241 0.01053 -0.00207 7 3PX -0.00022 0.00083 0.00376 -0.00026 -0.00212 8 3PY -0.00166 -0.00007 -0.00050 0.00137 0.00001 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S -0.00179 -0.00279 0.00065 -0.00540 0.00112 11 4PX 0.00003 -0.00030 -0.00020 -0.00036 0.00066 12 4PY 0.00026 -0.00189 0.00048 -0.00369 0.00069 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5D 0 -0.00026 -0.00074 0.00016 -0.00142 0.00028 15 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 16 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 17 5D+2 -0.00083 -0.00013 0.00053 0.00046 -0.00038 18 5D-2 0.00021 0.00047 0.00184 -0.00035 -0.00103 19 2 C 1S 0.21746 0.11501 -0.30563 -0.08853 0.31218 20 2S 0.17923 0.09468 -0.25156 -0.07283 0.25681 21 2PX -0.00021 -0.00052 -0.00013 -0.00042 0.00015 22 2PY 0.00023 -0.00064 -0.00024 -0.00039 -0.00034 23 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 24 3S 0.00627 0.00383 -0.01036 -0.00298 0.01064 25 3PX 0.00121 0.00229 0.00083 0.00151 -0.00067 26 3PY -0.00120 0.00293 0.00090 0.00135 0.00129 27 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 28 4S -0.00174 -0.00088 0.00238 0.00093 -0.00624 29 4PX -0.00022 0.00028 -0.00144 -0.00089 0.00319 30 4PY 0.00019 -0.00054 0.00099 0.00000 -0.00267 31 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 32 5D 0 -0.00027 -0.00026 0.00069 0.00041 -0.00143 33 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 34 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 35 5D+2 0.00034 -0.00178 -0.00065 -0.00095 -0.00045 36 5D-2 -0.00081 -0.00060 0.00003 -0.00042 0.00043 37 3 C 1S 0.24105 -0.20135 -0.25051 -0.22813 -0.23544 38 2S 0.19865 -0.16572 -0.20619 -0.18766 -0.19367 39 2PX -0.00030 0.00026 -0.00021 -0.00039 -0.00009 40 2PY -0.00007 -0.00060 0.00055 0.00030 -0.00047 41 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 42 3S 0.00707 -0.00691 -0.00849 -0.00781 -0.00803 43 3PX 0.00163 -0.00093 0.00114 0.00145 0.00043 44 3PY 0.00043 0.00278 -0.00238 -0.00099 0.00169 45 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4S -0.00201 0.00154 0.00227 0.00564 0.00483 47 4PX -0.00010 -0.00107 -0.00156 -0.00352 -0.00283 48 4PY -0.00002 -0.00068 -0.00045 -0.00102 -0.00159 49 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 5D 0 -0.00033 0.00048 0.00060 0.00106 0.00111 51 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 5D+2 0.00053 0.00100 -0.00104 -0.00027 0.00082 54 5D-2 0.00071 -0.00109 0.00084 0.00081 -0.00020 55 4 C 1S 0.25262 -0.30778 0.07055 0.32479 -0.06260 56 2S 0.20817 -0.25331 0.05807 0.26718 -0.05150 57 2PX -0.00003 -0.00019 -0.00086 -0.00006 -0.00056 58 2PY -0.00030 0.00003 0.00011 0.00037 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S 0.00747 -0.01052 0.00241 0.01112 -0.00215 61 3PX 0.00019 0.00089 0.00384 0.00017 0.00195 62 3PY 0.00164 0.00018 -0.00055 -0.00146 0.00004 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S -0.00208 0.00274 -0.00070 -0.00775 0.00145 65 4PX 0.00000 -0.00033 -0.00021 0.00054 -0.00067 66 4PY -0.00004 -0.00205 0.00054 0.00502 -0.00088 67 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 5D 0 -0.00036 0.00075 -0.00017 -0.00153 0.00030 69 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 70 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 71 5D+2 -0.00085 0.00000 -0.00052 0.00052 -0.00037 72 5D-2 0.00023 -0.00045 -0.00189 -0.00033 -0.00094 73 5 C 1S 0.23722 -0.07758 0.31180 -0.12392 0.30431 74 2S 0.19550 -0.06385 0.25664 -0.10194 0.25033 75 2PX 0.00028 -0.00051 -0.00014 0.00043 -0.00014 76 2PY -0.00014 -0.00067 -0.00022 0.00036 0.00036 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S 0.00694 -0.00270 0.01059 -0.00426 0.01038 79 3PX -0.00148 0.00217 0.00085 -0.00155 0.00061 80 3PY 0.00082 0.00307 0.00080 -0.00121 -0.00137 81 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 4S -0.00196 0.00048 -0.00257 0.00344 -0.00649 83 4PX 0.00012 0.00022 -0.00155 0.00206 -0.00330 84 4PY -0.00007 -0.00050 0.00109 -0.00089 0.00275 85 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 5D 0 -0.00031 0.00018 -0.00074 0.00057 -0.00142 87 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 5D+2 0.00011 0.00183 0.00060 -0.00090 -0.00050 90 5D-2 -0.00088 0.00051 0.00000 -0.00046 0.00042 91 6 C 1S 0.21666 0.23374 0.23101 -0.20093 -0.25263 92 2S 0.17858 0.19241 0.19014 -0.16530 -0.20782 93 2PX 0.00026 0.00028 -0.00020 0.00037 0.00010 94 2PY 0.00016 -0.00057 0.00056 -0.00034 0.00045 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00624 0.00786 0.00786 -0.00682 -0.00863 97 3PX -0.00147 -0.00111 0.00113 -0.00141 -0.00048 98 3PY -0.00084 0.00264 -0.00242 0.00117 -0.00163 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4S -0.00175 -0.00184 -0.00192 0.00320 0.00529 101 4PX 0.00025 -0.00109 -0.00137 0.00222 0.00309 102 4PY 0.00012 -0.00066 -0.00037 0.00046 0.00170 103 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 5D 0 -0.00027 -0.00053 -0.00053 0.00092 0.00116 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 0.00068 -0.00090 0.00106 -0.00035 0.00079 108 5D-2 0.00054 0.00114 -0.00085 0.00083 -0.00017 109 7 H 1S -0.00010 0.00023 -0.00005 0.00032 -0.00006 110 2S -0.00193 -0.00281 0.00061 -0.00226 0.00045 111 3S 0.00117 0.00060 -0.00012 -0.00009 0.00003 112 4PX -0.00017 -0.00017 0.00010 -0.00013 -0.00003 113 4PY -0.00133 -0.00142 0.00030 -0.00095 0.00019 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S -0.00010 0.00007 -0.00022 -0.00009 0.00033 116 2S -0.00199 -0.00098 0.00260 0.00060 -0.00233 117 3S 0.00120 0.00025 -0.00054 -0.00003 -0.00016 118 4PX 0.00109 0.00045 -0.00103 -0.00019 0.00079 119 4PY -0.00083 -0.00026 0.00081 0.00021 -0.00058 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S -0.00008 -0.00017 -0.00019 -0.00025 -0.00025 122 2S -0.00219 0.00170 0.00213 0.00177 0.00174 123 3S 0.00123 -0.00029 -0.00040 0.00021 0.00015 124 4PX 0.00136 -0.00078 -0.00096 -0.00064 -0.00068 125 4PY 0.00056 -0.00027 -0.00045 -0.00031 -0.00024 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S -0.00007 -0.00025 0.00006 0.00035 -0.00007 128 2S -0.00228 0.00261 -0.00060 -0.00249 0.00047 129 3S 0.00124 -0.00043 0.00010 -0.00030 0.00006 130 4PX 0.00019 -0.00015 0.00010 0.00014 0.00003 131 4PY 0.00150 -0.00126 0.00028 0.00099 -0.00019 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S -0.00008 -0.00007 0.00024 -0.00013 0.00032 134 2S -0.00216 0.00065 -0.00264 0.00099 -0.00228 135 3S 0.00122 -0.00010 0.00051 0.00014 -0.00020 136 4PX -0.00116 0.00028 -0.00103 0.00028 -0.00076 137 4PY 0.00088 -0.00014 0.00081 -0.00028 0.00055 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S -0.00010 0.00016 0.00017 -0.00020 -0.00027 140 2S -0.00198 -0.00199 -0.00198 0.00144 0.00191 141 3S 0.00119 0.00045 0.00038 0.00003 0.00015 142 4PX -0.00126 -0.00096 -0.00089 0.00056 0.00074 143 4PY -0.00053 -0.00035 -0.00042 0.00028 0.00027 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.17604 -0.85591 -0.74710 -0.74707 -0.60316 1 1 C 1S 0.24567 -0.05184 -0.01753 -0.07029 -0.05390 2 2S 0.20202 -0.07994 -0.02714 -0.10886 -0.08441 3 2PX -0.00004 0.00370 0.05057 -0.01101 0.02708 4 2PY -0.00032 0.02899 -0.00338 0.01386 -0.03073 5 2PZ 0.00000 -0.00001 0.00002 -0.00001 0.00002 6 3S 0.00897 0.20875 0.07189 0.28830 0.22827 7 3PX 0.00013 0.00561 0.07522 -0.01642 0.03773 8 3PY 0.00100 0.04385 -0.00514 0.02012 -0.04384 9 3PZ 0.00000 -0.00002 0.00003 -0.00002 0.00002 10 4S -0.02180 0.08767 0.03490 0.13990 0.15113 11 4PX -0.00160 0.00112 0.02603 -0.00556 0.01568 12 4PY -0.01257 0.00868 -0.00156 0.00781 -0.00897 13 4PZ 0.00001 0.00000 0.00001 0.00000 0.00001 14 5D 0 -0.00129 -0.00907 -0.00212 -0.00851 -0.00492 15 5D+1 0.00000 0.00000 0.00000 0.00001 0.00000 16 5D-1 0.00000 -0.00001 0.00000 -0.00001 0.00000 17 5D+2 0.00044 0.00117 0.00449 0.00442 0.00271 18 5D-2 -0.00012 -0.00031 0.01191 -0.00442 0.00242 19 2 C 1S -0.24008 -0.05184 -0.06966 -0.01990 0.01131 20 2S -0.19742 -0.07995 -0.10789 -0.03083 0.01771 21 2PX -0.00026 -0.02323 -0.00101 -0.03317 -0.06205 22 2PY 0.00017 0.01773 0.01889 -0.03777 -0.07210 23 2PZ 0.00000 0.00000 0.00002 0.00001 -0.00001 24 3S -0.00877 0.20876 0.28572 0.08164 -0.04789 25 3PX 0.00081 -0.03515 -0.00112 -0.04923 -0.08685 26 3PY -0.00051 0.02680 0.02778 -0.05626 -0.10059 27 3PZ 0.00000 0.00000 0.00003 0.00001 -0.00001 28 4S 0.02163 0.08762 0.13863 0.03962 -0.03169 29 4PX -0.01000 -0.00693 -0.00105 -0.01722 -0.03236 30 4PY 0.00760 0.00528 0.01011 -0.01931 -0.04008 31 4PZ -0.00001 0.00001 0.00001 0.00000 0.00000 32 5D 0 0.00126 -0.00906 -0.00844 -0.00241 0.00103 33 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 34 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 35 5D+2 0.00007 -0.00032 -0.00489 0.01168 0.00911 36 5D-2 -0.00043 0.00117 0.00420 0.00480 0.00206 37 3 C 1S 0.21903 -0.05182 -0.05211 0.05033 0.04256 38 2S 0.18011 -0.07991 -0.08071 0.07795 0.06665 39 2PX 0.00025 -0.02694 0.00554 0.02261 -0.04445 40 2PY 0.00014 -0.01132 -0.03702 -0.03113 0.05099 41 2PZ 0.00000 -0.00002 0.00001 0.00003 -0.00004 42 3S 0.00806 0.20867 0.21375 -0.20644 -0.18024 43 3PX -0.00076 -0.04076 0.00857 0.03332 -0.06277 44 3PY -0.00046 -0.01710 -0.05491 -0.04646 0.07095 45 3PZ 0.00000 -0.00003 0.00001 0.00005 -0.00005 46 4S -0.02122 0.08763 0.10373 -0.10019 -0.11933 47 4PX 0.01133 -0.00806 0.00238 0.01210 -0.01843 48 4PY 0.00478 -0.00338 -0.01921 -0.01583 0.02999 49 4PZ 0.00001 -0.00001 0.00001 0.00001 -0.00002 50 5D 0 -0.00117 -0.00906 -0.00631 0.00610 0.00388 51 5D+1 0.00000 0.00001 0.00000 -0.00001 0.00000 52 5D-1 0.00000 0.00000 0.00000 0.00001 0.00000 53 5D+2 -0.00033 -0.00085 -0.00926 -0.00396 0.00561 54 5D-2 -0.00024 -0.00085 0.00353 0.00933 -0.00330 55 4 C 1S -0.20957 -0.05181 0.01758 0.07029 -0.05390 56 2S -0.17233 -0.07990 0.02723 0.10886 -0.08440 57 2PX -0.00004 -0.00375 0.05058 -0.01089 -0.02705 58 2PY -0.00028 -0.02897 -0.00335 0.01386 0.03070 59 2PZ 0.00000 0.00002 0.00003 -0.00002 -0.00002 60 3S -0.00773 0.20864 -0.07212 -0.28830 0.22827 61 3PX 0.00013 -0.00565 0.07522 -0.01629 -0.03766 62 3PY 0.00083 -0.04383 -0.00512 0.02013 0.04381 63 3PZ 0.00000 0.00002 0.00004 -0.00003 -0.00003 64 4S 0.02104 0.08764 -0.03501 -0.13990 0.15114 65 4PX -0.00156 -0.00112 0.02602 -0.00553 -0.01563 66 4PY -0.01206 -0.00868 -0.00156 0.00782 0.00894 67 4PZ 0.00000 0.00001 0.00002 -0.00001 -0.00001 68 5D 0 0.00112 -0.00906 0.00213 0.00852 -0.00492 69 5D+1 0.00000 0.00001 0.00000 -0.00001 0.00001 70 5D-1 0.00000 -0.00001 -0.00001 0.00001 0.00000 71 5D+2 -0.00038 0.00117 -0.00450 -0.00442 0.00271 72 5D-2 0.00008 -0.00030 -0.01191 0.00440 0.00242 73 5 C 1S 0.22221 -0.05183 0.06964 0.01998 0.01134 74 2S 0.18272 -0.07993 0.10785 0.03095 0.01776 75 2PX -0.00021 0.02325 -0.00107 -0.03320 0.06209 76 2PY 0.00020 -0.01770 0.01882 -0.03776 0.07208 77 2PZ 0.00000 0.00003 -0.00002 0.00000 -0.00001 78 3S 0.00817 0.20872 -0.28564 -0.08197 -0.04803 79 3PX 0.00064 0.03516 -0.00119 -0.04926 0.08688 80 3PY -0.00063 -0.02678 0.02770 -0.05626 0.10058 81 3PZ 0.00000 0.00004 -0.00003 0.00000 -0.00002 82 4S -0.02128 0.08760 -0.13859 -0.03978 -0.03181 83 4PX -0.00979 0.00692 -0.00106 -0.01722 0.03237 84 4PY 0.00748 -0.00528 0.01009 -0.01931 0.04008 85 4PZ -0.00001 0.00001 -0.00001 0.00000 -0.00001 86 5D 0 -0.00118 -0.00906 0.00844 0.00242 0.00104 87 5D+1 0.00000 0.00001 0.00000 -0.00001 0.00001 88 5D-1 0.00000 -0.00001 0.00001 -0.00001 0.00001 89 5D+2 -0.00016 -0.00032 0.00487 -0.01168 0.00911 90 5D-2 0.00038 0.00117 -0.00420 -0.00481 0.00207 91 6 C 1S -0.24023 -0.05183 0.05208 -0.05035 0.04258 92 2S -0.19755 -0.07994 0.08067 -0.07799 0.06668 93 2PX 0.00030 0.02697 0.00552 0.02265 0.04449 94 2PY 0.00010 0.01126 -0.03694 -0.03122 -0.05099 95 2PZ 0.00000 -0.00001 0.00003 0.00002 0.00005 96 3S -0.00878 0.20875 -0.21363 0.20653 -0.18034 97 3PX -0.00092 0.04079 0.00856 0.03335 0.06282 98 3PY -0.00030 0.01704 -0.05482 -0.04657 -0.07096 99 3PZ 0.00000 -0.00001 0.00005 0.00003 0.00007 100 4S 0.02165 0.08766 -0.10367 0.10022 -0.11940 101 4PX 0.01161 0.00807 0.00237 0.01211 0.01847 102 4PY 0.00482 0.00337 -0.01919 -0.01586 -0.03002 103 4PZ 0.00000 0.00000 0.00002 0.00001 0.00002 104 5D 0 0.00126 -0.00907 0.00631 -0.00610 0.00389 105 5D+1 0.00000 0.00000 0.00000 0.00001 0.00000 106 5D-1 0.00000 -0.00001 0.00001 -0.00001 0.00001 107 5D+2 0.00028 -0.00085 0.00925 0.00397 0.00561 108 5D-2 0.00034 -0.00086 -0.00352 -0.00934 -0.00330 109 7 H 1S 0.00038 0.02056 0.01146 0.04597 0.06591 110 2S -0.00294 0.02534 0.01429 0.05731 0.08728 111 3S -0.00168 -0.00241 0.00059 0.00237 0.01643 112 4PX -0.00010 0.00067 0.00296 0.00064 0.00307 113 4PY -0.00075 0.00527 0.00219 0.01023 0.01138 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S -0.00037 0.02056 0.04555 0.01303 -0.01380 116 2S 0.00290 0.02533 0.05678 0.01624 -0.01828 117 3S 0.00167 -0.00242 0.00234 0.00067 -0.00344 118 4PX -0.00059 -0.00422 -0.00760 -0.00390 -0.00106 119 4PY 0.00045 0.00322 0.00675 -0.00033 -0.00542 120 4PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 121 9 H 1S 0.00035 0.02055 0.03407 -0.03291 -0.05202 122 2S -0.00274 0.02532 0.04247 -0.04104 -0.06889 123 3S -0.00166 -0.00241 0.00175 -0.00170 -0.01297 124 4PX 0.00062 -0.00490 -0.00626 0.00751 0.00721 125 4PY 0.00026 -0.00205 -0.00468 0.00102 0.00665 126 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 127 10 H 1S -0.00034 0.02054 -0.01148 -0.04596 0.06588 128 2S 0.00267 0.02532 -0.01431 -0.05731 0.08725 129 3S 0.00166 -0.00241 -0.00059 -0.00237 0.01642 130 4PX -0.00008 -0.00068 0.00296 0.00065 -0.00308 131 4PY -0.00064 -0.00526 0.00219 0.01023 -0.01138 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00035 0.02055 -0.04553 -0.01306 -0.01389 134 2S -0.00276 0.02532 -0.05676 -0.01628 -0.01839 135 3S -0.00166 -0.00242 -0.00234 -0.00067 -0.00346 136 4PX -0.00055 0.00422 -0.00760 -0.00390 0.00104 137 4PY 0.00041 -0.00322 0.00674 -0.00033 0.00543 138 4PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 139 12 H 1S -0.00037 0.02056 -0.03406 0.03293 -0.05208 140 2S 0.00290 0.02533 -0.04247 0.04106 -0.06897 141 3S 0.00167 -0.00241 -0.00176 0.00170 -0.01298 142 4PX 0.00068 0.00490 -0.00626 0.00752 -0.00722 143 4PY 0.00029 0.00205 -0.00468 0.00101 -0.00665 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 O O O O O Eigenvalues -- -0.60311 -0.52374 -0.45969 -0.45001 -0.42297 1 1 C 1S 0.01802 0.00549 -0.03249 -0.00003 -0.00066 2 2S 0.02822 0.00843 -0.05116 -0.00005 -0.00104 3 2PX 0.09229 0.01158 -0.00779 0.12873 -0.03697 4 2PY -0.00272 0.09063 -0.05989 -0.01644 0.01254 5 2PZ 0.00003 -0.00005 0.00001 0.00002 0.00002 6 3S -0.07631 -0.02204 0.13918 0.00014 0.00309 7 3PX 0.12897 0.01624 -0.01089 0.18088 -0.05789 8 3PY -0.00348 0.12708 -0.08372 -0.02309 0.01831 9 3PZ 0.00004 -0.00007 0.00001 0.00002 0.00003 10 4S -0.05052 -0.03572 0.16741 0.00019 0.00309 11 4PX 0.04972 0.00821 -0.00352 0.09107 0.00582 12 4PY -0.00405 0.06422 -0.02681 -0.01161 0.00550 13 4PZ 0.00002 -0.00003 0.00000 0.00002 0.00003 14 5D 0 0.00164 -0.00139 -0.00149 0.00000 0.00004 15 5D+1 0.00000 -0.00001 -0.00001 -0.00001 0.00001 16 5D-1 0.00000 -0.00001 -0.00001 0.00000 0.00000 17 5D+2 0.00162 -0.00637 -0.01825 0.00161 -0.00499 18 5D-2 0.00891 0.00166 0.00473 0.00626 -0.02015 19 2 C 1S -0.05569 0.00550 0.03250 0.00004 0.01041 20 2S -0.08721 0.00844 0.05117 0.00006 0.01635 21 2PX 0.01050 -0.07266 -0.04786 -0.07875 0.08020 22 2PY -0.03233 0.05540 0.03663 -0.10320 -0.08743 23 2PZ 0.00004 -0.00007 -0.00006 -0.00001 0.00012 24 3S 0.23585 -0.02208 -0.13921 -0.00015 -0.04860 25 3PX 0.01542 -0.10188 -0.06691 -0.11066 0.11003 26 3PY -0.04575 0.07767 0.05120 -0.14499 -0.12492 27 3PZ 0.00006 -0.00010 -0.00008 -0.00002 0.00017 28 4S 0.15616 -0.03580 -0.16744 -0.00013 -0.04966 29 4PX -0.00068 -0.05146 -0.02140 -0.05569 0.07630 30 4PY -0.01268 0.03924 0.01639 -0.07298 -0.05462 31 4PZ 0.00001 -0.00005 -0.00004 -0.00001 0.00010 32 5D 0 -0.00508 -0.00139 0.00149 0.00000 -0.00057 33 5D+1 0.00001 -0.00001 -0.00002 0.00000 0.00001 34 5D-1 0.00000 0.00000 0.00001 -0.00001 0.00000 35 5D+2 0.00128 0.00175 -0.00500 0.00624 0.01189 36 5D-2 0.00251 -0.00635 0.01817 0.00173 -0.00035 37 3 C 1S 0.03768 0.00549 -0.03249 -0.00002 0.01111 38 2S 0.05900 0.00843 -0.05116 -0.00004 0.01745 39 2PX 0.01054 -0.08425 0.05574 -0.04993 0.10802 40 2PY -0.07424 -0.03525 0.02324 0.11977 0.06394 41 2PZ 0.00003 -0.00006 0.00003 -0.00006 0.00012 42 3S -0.15957 -0.02205 0.13918 0.00011 -0.05187 43 3PX 0.01415 -0.11814 0.07792 -0.07018 0.14991 44 3PY -0.10398 -0.04942 0.03248 0.16830 0.09197 45 3PZ 0.00005 -0.00008 0.00004 -0.00008 0.00017 46 4S -0.10569 -0.03572 0.16741 0.00019 -0.05308 47 4PX 0.01073 -0.05970 0.02497 -0.03533 0.09305 48 4PY -0.03818 -0.02498 0.01036 0.08474 0.03643 49 4PZ 0.00002 -0.00004 0.00001 -0.00004 0.00012 50 5D 0 0.00344 -0.00139 -0.00149 0.00000 -0.00060 51 5D+1 -0.00001 0.00001 0.00001 0.00001 0.00000 52 5D-1 0.00001 0.00001 0.00001 -0.00001 -0.00001 53 5D+2 -0.00409 0.00462 0.01323 0.00462 0.00929 54 5D-2 0.00601 0.00469 0.01342 -0.00452 -0.00398 55 4 C 1S 0.01806 0.00550 0.03249 0.00004 0.00067 56 2S 0.02828 0.00845 0.05116 0.00006 0.00105 57 2PX -0.09228 -0.01162 -0.00783 0.12873 -0.03697 58 2PY 0.00267 -0.09059 -0.05987 -0.01646 0.01233 59 2PZ -0.00007 0.00002 0.00000 0.00011 0.00002 60 3S -0.07649 -0.02210 -0.13917 -0.00016 -0.00312 61 3PX -0.12897 -0.01629 -0.01095 0.18089 -0.05789 62 3PY 0.00343 -0.12702 -0.08369 -0.02314 0.01805 63 3PZ -0.00009 0.00003 0.00000 0.00016 0.00003 64 4S -0.05066 -0.03574 -0.16740 -0.00013 -0.00324 65 4PX -0.04972 -0.00824 -0.00352 0.09107 0.00579 66 4PY 0.00403 -0.06421 -0.02681 -0.01163 0.00539 67 4PZ -0.00004 0.00001 -0.00001 0.00008 0.00005 68 5D 0 0.00165 -0.00139 0.00149 0.00000 -0.00004 69 5D+1 -0.00001 0.00000 0.00001 0.00001 -0.00001 70 5D-1 0.00001 -0.00001 0.00000 -0.00001 0.00001 71 5D+2 0.00163 -0.00637 0.01824 -0.00163 0.00502 72 5D-2 0.00891 0.00166 -0.00475 -0.00626 0.02014 73 5 C 1S -0.05569 0.00550 -0.03250 -0.00001 -0.01041 74 2S -0.08721 0.00845 -0.05117 -0.00002 -0.01635 75 2PX -0.01053 0.07266 -0.04788 -0.07870 0.08019 76 2PY 0.03225 -0.05534 0.03660 -0.10324 -0.08725 77 2PZ -0.00003 0.00007 -0.00007 0.00004 0.00014 78 3S 0.23586 -0.02209 0.13922 0.00007 0.04860 79 3PX -0.01548 0.10188 -0.06693 -0.11058 0.11002 80 3PY 0.04563 -0.07760 0.05118 -0.14508 -0.12470 81 3PZ -0.00004 0.00010 -0.00011 0.00005 0.00020 82 4S 0.15618 -0.03583 0.16745 0.00012 0.04971 83 4PX 0.00065 0.05146 -0.02140 -0.05565 0.07629 84 4PY 0.01262 -0.03918 0.01641 -0.07302 -0.05452 85 4PZ -0.00001 0.00005 -0.00004 0.00002 0.00011 86 5D 0 -0.00508 -0.00139 -0.00149 0.00000 0.00057 87 5D+1 0.00000 0.00001 0.00001 0.00000 0.00000 88 5D-1 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 89 5D+2 0.00128 0.00174 0.00502 -0.00624 -0.01186 90 5D-2 0.00251 -0.00635 -0.01816 -0.00174 0.00033 91 6 C 1S 0.03764 0.00549 0.03249 0.00002 -0.01112 92 2S 0.05894 0.00843 0.05116 0.00004 -0.01747 93 2PX -0.01058 0.08430 0.05574 -0.04993 0.10799 94 2PY 0.07425 0.03521 0.02320 0.11978 0.06377 95 2PZ -0.00005 0.00001 -0.00001 -0.00010 0.00002 96 3S -0.15939 -0.02204 -0.13918 -0.00009 0.05191 97 3PX -0.01418 0.11821 0.07792 -0.07015 0.14985 98 3PY 0.10398 0.04938 0.03244 0.16830 0.09178 99 3PZ -0.00006 0.00001 -0.00002 -0.00014 0.00003 100 4S -0.10554 -0.03570 -0.16741 -0.00008 0.05318 101 4PX -0.01074 0.05974 0.02496 -0.03532 0.09304 102 4PY 0.03816 0.02497 0.01037 0.08474 0.03630 103 4PZ -0.00003 0.00000 -0.00001 -0.00007 0.00003 104 5D 0 0.00343 -0.00139 0.00149 0.00000 0.00060 105 5D+1 -0.00001 0.00000 0.00000 0.00000 -0.00001 106 5D-1 0.00000 0.00000 -0.00001 -0.00001 0.00000 107 5D+2 -0.00409 0.00463 -0.01325 -0.00461 -0.00926 108 5D-2 0.00601 0.00468 -0.01341 0.00453 0.00397 109 7 H 1S -0.02203 -0.06885 0.08505 -0.00001 -0.00569 110 2S -0.02918 -0.08822 0.11860 -0.00001 -0.00830 111 3S -0.00549 -0.02403 0.04893 0.00000 -0.00369 112 4PX 0.00426 -0.00128 0.00105 0.00706 -0.00273 113 4PY -0.00448 -0.01000 0.00829 -0.00091 -0.00028 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.06810 -0.06885 -0.08496 -0.00009 0.08535 116 2S 0.09019 -0.08824 -0.11848 -0.00012 0.12466 117 3S 0.01697 -0.02404 -0.04888 -0.00006 0.05533 118 4PX -0.01021 0.00802 0.00664 -0.00431 -0.00838 119 4PY 0.00652 -0.00611 -0.00505 -0.00567 0.00455 120 4PZ -0.00001 0.00001 0.00001 0.00000 -0.00001 121 9 H 1S -0.04609 -0.06882 0.08504 0.00016 0.09083 122 2S -0.06103 -0.08819 0.11860 0.00022 0.13266 123 3S -0.01149 -0.02403 0.04893 0.00009 0.05887 124 4PX 0.00899 0.00930 -0.00770 -0.00276 -0.00972 125 4PY -0.00034 0.00389 -0.00323 0.00656 -0.00276 126 4PZ 0.00001 0.00001 -0.00001 0.00000 0.00000 127 10 H 1S -0.02212 -0.06883 -0.08504 0.00002 0.00551 128 2S -0.02929 -0.08819 -0.11859 0.00003 0.00804 129 3S -0.00551 -0.02402 -0.04892 0.00001 0.00357 130 4PX -0.00425 0.00129 0.00106 0.00706 -0.00273 131 4PY 0.00450 0.01000 0.00828 -0.00091 -0.00026 132 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 133 11 H 1S 0.06808 -0.06882 0.08496 0.00007 -0.08525 134 2S 0.09016 -0.08821 0.11848 0.00009 -0.12451 135 3S 0.01697 -0.02404 0.04888 0.00004 -0.05526 136 4PX 0.01021 -0.00802 0.00664 -0.00431 -0.00837 137 4PY -0.00651 0.00611 -0.00505 -0.00567 0.00455 138 4PZ 0.00001 -0.00001 0.00001 0.00000 -0.00001 139 12 H 1S -0.04602 -0.06884 -0.08504 -0.00013 -0.09075 140 2S -0.06095 -0.08822 -0.11859 -0.00018 -0.13253 141 3S -0.01148 -0.02403 -0.04892 -0.00008 -0.05881 142 4PX -0.00898 -0.00930 -0.00770 -0.00276 -0.00971 143 4PY 0.00035 -0.00389 -0.00322 0.00657 -0.00276 144 4PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 16 17 18 19 20 O O O O O Eigenvalues -- -0.42296 -0.36992 -0.34661 -0.34653 -0.25673 1 1 C 1S -0.01244 -0.00001 -0.00208 -0.00110 0.00000 2 2S -0.01954 -0.00001 -0.00336 -0.00178 0.00000 3 2PX 0.01959 0.00002 0.06917 -0.10095 0.00002 4 2PY 0.13773 0.00004 0.08336 0.06231 0.00001 5 2PZ -0.00007 0.10113 -0.00004 -0.00001 0.05188 6 3S 0.05807 0.00003 0.01251 0.00663 0.00001 7 3PX 0.02773 0.00003 0.09541 -0.13863 0.00002 8 3PY 0.19247 0.00006 0.11693 0.08689 0.00001 9 3PZ -0.00010 0.15515 -0.00006 0.00000 0.07845 10 4S 0.05944 0.00004 -0.00904 -0.00498 -0.00041 11 4PX 0.01381 -0.00001 0.06121 -0.08664 -0.00003 12 4PY 0.11094 0.00006 0.08286 0.05965 -0.00025 13 4PZ -0.00006 0.11429 -0.00004 0.00001 0.07704 14 5D 0 0.00067 -0.00001 0.00003 0.00001 0.00001 15 5D+1 0.00000 0.00165 0.00000 0.00002 0.02347 16 5D-1 0.00000 0.01291 0.00001 0.00000 -0.00043 17 5D+2 0.00428 -0.00001 0.02678 0.00984 -0.00001 18 5D-2 0.00004 0.00001 0.00078 -0.01697 0.00002 19 2 C 1S -0.00680 0.00002 0.00006 0.00236 0.00003 20 2S -0.01068 0.00003 0.00010 0.00381 0.00004 21 2PX -0.07985 -0.00011 -0.07182 0.08480 -0.00010 22 2PY 0.02073 0.00008 -0.09939 -0.05982 0.00008 23 2PZ -0.00005 0.10113 0.00000 0.00011 0.15255 24 3S 0.03173 -0.00007 -0.00037 -0.01419 -0.00014 25 3PX -0.11482 -0.00016 -0.09869 0.11871 -0.00015 26 3PY 0.02480 0.00011 -0.13668 -0.08384 0.00013 27 3PZ -0.00006 0.15515 0.00001 0.00016 0.23068 28 4S 0.03251 -0.00013 0.00043 0.01029 0.00023 29 4PX -0.04599 -0.00009 -0.06186 0.08313 -0.00040 30 4PY 0.04053 0.00004 -0.08621 -0.05920 0.00031 31 4PZ -0.00004 0.11428 0.00001 0.00012 0.22650 32 5D 0 0.00037 0.00000 0.00000 -0.00003 0.00000 33 5D+1 0.00000 -0.01034 0.00000 0.00002 -0.00325 34 5D-1 0.00002 0.00789 0.00000 -0.00002 0.00814 35 5D+2 0.01618 0.00000 0.01550 0.00724 -0.00001 36 5D-2 0.00679 -0.00001 0.00333 -0.02827 0.00000 37 3 C 1S 0.00562 -0.00002 0.00199 -0.00125 -0.00001 38 2S 0.00883 -0.00003 0.00322 -0.00203 -0.00001 39 2PX 0.07123 -0.00011 0.05641 -0.09071 -0.00008 40 2PY -0.00727 -0.00001 0.09359 0.07509 -0.00002 41 2PZ 0.00007 0.10110 0.00005 -0.00008 0.10067 42 3S -0.02623 0.00007 -0.01200 0.00754 0.00006 43 3PX 0.10175 -0.00016 0.07964 -0.12603 -0.00012 44 3PY -0.01534 -0.00001 0.12952 0.10271 -0.00002 45 3PZ 0.00010 0.15511 0.00007 -0.00011 0.15222 46 4S -0.02691 0.00014 0.00886 -0.00529 -0.00036 47 4PX 0.04495 -0.00016 0.05840 -0.08449 0.00011 48 4PY 0.02367 -0.00001 0.08499 0.06248 0.00009 49 4PZ 0.00004 0.11425 0.00005 -0.00007 0.14945 50 5D 0 -0.00030 -0.00002 -0.00003 0.00002 0.00001 51 5D+1 -0.00002 -0.01200 0.00001 0.00001 0.00269 52 5D-1 0.00001 -0.00503 0.00001 -0.00002 -0.01931 53 5D+2 -0.01188 0.00001 0.02334 -0.00121 0.00000 54 5D-2 0.01435 0.00000 0.01181 -0.02041 0.00002 55 4 C 1S 0.01244 0.00001 -0.00207 -0.00112 -0.00001 56 2S 0.01953 0.00002 -0.00334 -0.00182 -0.00001 57 2PX 0.01975 -0.00008 -0.06913 0.10095 0.00003 58 2PY 0.13775 0.00002 -0.08326 -0.06250 0.00001 59 2PZ -0.00003 0.10109 -0.00003 0.00008 -0.05201 60 3S -0.05805 -0.00005 0.01246 0.00676 0.00002 61 3PX 0.02791 -0.00012 -0.09532 0.13865 0.00005 62 3PY 0.19250 0.00003 -0.11678 -0.08719 0.00000 63 3PZ -0.00004 0.15509 -0.00005 0.00010 -0.07863 64 4S -0.05941 -0.00007 -0.00916 -0.00478 0.00038 65 4PX 0.01391 -0.00011 -0.06119 0.08663 0.00003 66 4PY 0.11096 0.00004 -0.08273 -0.05986 -0.00017 67 4PZ -0.00002 0.11425 -0.00003 0.00006 -0.07720 68 5D 0 -0.00067 0.00001 0.00003 0.00002 0.00002 69 5D+1 0.00000 -0.00166 0.00002 0.00002 0.02347 70 5D-1 0.00000 -0.01290 0.00001 -0.00001 -0.00042 71 5D+2 -0.00429 0.00001 0.02675 0.00984 -0.00003 72 5D-2 -0.00006 0.00000 0.00074 -0.01700 0.00002 73 5 C 1S 0.00679 0.00000 0.00009 0.00236 0.00000 74 2S 0.01066 0.00001 0.00015 0.00381 0.00000 75 2PX -0.08006 -0.00008 0.07164 -0.08479 0.00009 76 2PY 0.02078 0.00011 0.09952 0.05982 -0.00014 77 2PZ -0.00006 0.10111 -0.00006 -0.00012 -0.15254 78 3S -0.03169 -0.00001 -0.00053 -0.01418 0.00003 79 3PX -0.11508 -0.00011 0.09841 -0.11868 0.00013 80 3PY 0.02488 0.00017 0.13689 0.08387 -0.00021 81 3PZ -0.00008 0.15513 -0.00008 -0.00017 -0.23065 82 4S -0.03238 -0.00005 0.00020 0.01033 -0.00031 83 4PX -0.04612 -0.00011 0.06167 -0.08312 0.00000 84 4PY 0.04056 0.00012 0.08635 0.05918 -0.00009 85 4PZ -0.00006 0.11427 -0.00006 -0.00012 -0.22648 86 5D 0 -0.00037 0.00002 0.00000 -0.00003 -0.00002 87 5D+1 0.00000 0.01035 0.00000 0.00002 -0.00327 88 5D-1 -0.00001 -0.00788 0.00001 -0.00001 0.00812 89 5D+2 -0.01618 0.00001 0.01551 0.00730 -0.00001 90 5D-2 -0.00682 0.00001 0.00333 -0.02825 0.00001 91 6 C 1S -0.00561 0.00001 0.00201 -0.00123 0.00001 92 2S -0.00881 0.00001 0.00324 -0.00199 0.00001 93 2PX 0.07141 -0.00008 -0.05651 0.09055 0.00000 94 2PY -0.00728 0.00005 -0.09366 -0.07512 -0.00004 95 2PZ 0.00002 0.10112 0.00003 0.00008 -0.10057 96 3S 0.02619 -0.00003 -0.01208 0.00740 -0.00005 97 3PX 0.10197 -0.00011 -0.07977 0.12576 0.00001 98 3PY -0.01533 0.00007 -0.12965 -0.10274 -0.00006 99 3PZ 0.00003 0.15515 0.00004 0.00011 -0.15208 100 4S 0.02676 -0.00002 0.00871 -0.00552 0.00030 101 4PX 0.04503 -0.00006 -0.05853 0.08430 0.00021 102 4PY 0.02367 0.00007 -0.08505 -0.06253 0.00002 103 4PZ -0.00001 0.11428 0.00002 0.00007 -0.14934 104 5D 0 0.00030 -0.00001 -0.00003 0.00002 0.00002 105 5D+1 0.00001 0.01201 0.00000 0.00001 0.00269 106 5D-1 0.00000 0.00502 0.00002 -0.00001 -0.01930 107 5D+2 0.01188 0.00000 0.02338 -0.00122 0.00001 108 5D-2 -0.01438 0.00000 0.01179 -0.02038 0.00002 109 7 H 1S -0.10163 0.00001 -0.09020 -0.04832 0.00002 110 2S -0.14842 0.00002 -0.13537 -0.07252 -0.00001 111 3S -0.06587 0.00001 -0.08399 -0.04501 -0.00004 112 4PX -0.00129 0.00000 0.00276 -0.00672 0.00000 113 4PY -0.01115 0.00000 -0.00559 -0.00194 0.00000 114 4PZ 0.00000 0.00734 0.00000 0.00000 0.00435 115 8 H 1S -0.05559 -0.00004 0.00311 0.10227 0.00001 116 2S -0.08119 -0.00008 0.00467 0.15351 0.00006 117 3S -0.03603 -0.00005 0.00289 0.09528 0.00008 118 4PX 0.00353 -0.00001 -0.00455 -0.00455 -0.00002 119 4PY -0.00549 0.00000 -0.00568 0.00375 0.00001 120 4PZ 0.00001 0.00733 0.00000 -0.00001 0.01279 121 9 H 1S 0.04597 -0.00002 0.08694 -0.05394 -0.00001 122 2S 0.06714 -0.00003 0.13049 -0.08096 -0.00005 123 3S 0.02979 -0.00001 0.08097 -0.05024 -0.00007 124 4PX -0.00376 0.00000 -0.00610 0.00048 0.00000 125 4PY -0.00416 0.00000 0.00160 0.00691 0.00000 126 4PZ 0.00000 0.00733 0.00000 0.00000 0.00844 127 10 H 1S 0.10165 -0.00001 -0.09012 -0.04844 0.00003 128 2S 0.14846 -0.00002 -0.13527 -0.07271 0.00007 129 3S 0.06588 -0.00002 -0.08392 -0.04513 0.00007 130 4PX -0.00129 0.00000 -0.00275 0.00672 0.00000 131 4PY -0.01115 0.00000 0.00559 0.00195 0.00000 132 4PZ 0.00000 0.00733 0.00000 0.00000 -0.00436 133 11 H 1S 0.05576 0.00003 0.00324 0.10227 -0.00003 134 2S 0.08145 0.00005 0.00487 0.15352 -0.00006 135 3S 0.03615 0.00002 0.00303 0.09528 -0.00007 136 4PX 0.00355 0.00000 0.00456 0.00455 0.00001 137 4PY -0.00551 0.00000 0.00567 -0.00375 -0.00001 138 4PZ 0.00001 0.00733 0.00000 0.00000 -0.01279 139 12 H 1S -0.04612 0.00003 0.08703 -0.05383 0.00002 140 2S -0.06734 0.00005 0.13061 -0.08079 0.00006 141 3S -0.02989 0.00004 0.08104 -0.05014 0.00007 142 4PX -0.00378 0.00000 0.00611 -0.00047 0.00000 143 4PY -0.00417 0.00001 -0.00161 -0.00690 0.00000 144 4PZ 0.00000 0.00734 0.00000 0.00000 -0.00843 21 22 23 24 25 O V V V V Eigenvalues -- -0.25669 -0.00997 -0.00991 0.03940 0.07522 1 1 C 1S -0.00001 -0.00001 -0.00003 0.01812 -0.00034 2 2S -0.00001 -0.00002 -0.00004 0.02790 -0.00053 3 2PX 0.00001 -0.00002 0.00004 0.00633 0.00594 4 2PY 0.00007 0.00008 0.00000 0.04955 -0.00263 5 2PZ 0.14617 0.15798 -0.06225 -0.00003 0.00000 6 3S 0.00003 0.00006 0.00016 -0.06333 0.00114 7 3PX 0.00001 -0.00003 0.00005 0.00721 -0.01392 8 3PY 0.00011 0.00011 0.00000 0.05636 0.00016 9 3PZ 0.22103 0.22269 -0.08775 -0.00004 -0.00001 10 4S 0.00014 -0.00006 -0.00026 -0.48630 0.01451 11 4PX 0.00000 0.00006 -0.00005 0.02852 -0.03659 12 4PY 0.00016 0.00007 -0.00043 0.22252 -0.00575 13 4PZ 0.21707 0.47833 -0.18847 -0.00009 -0.00010 14 5D 0 -0.00001 0.00002 0.00002 -0.00263 0.00000 15 5D+1 -0.00732 0.01182 0.03404 0.00000 0.00001 16 5D-1 0.00820 -0.01263 0.00002 -0.00001 0.00000 17 5D+2 -0.00001 0.00001 -0.00001 -0.01963 -0.00383 18 5D-2 -0.00001 0.00001 0.00002 0.00512 -0.01601 19 2 C 1S 0.00001 -0.00001 0.00003 0.01811 -0.01438 20 2S 0.00001 -0.00002 0.00005 0.02789 -0.02250 21 2PX -0.00004 0.00002 -0.00011 -0.03973 0.06816 22 2PY 0.00000 0.00000 0.00008 0.03030 -0.04816 23 2PZ 0.02802 -0.02498 0.16797 -0.00002 0.00009 24 3S -0.00003 0.00006 -0.00015 -0.06327 0.04695 25 3PX -0.00005 0.00002 -0.00017 -0.04519 0.05399 26 3PY 0.00000 -0.00001 0.00012 0.03446 -0.04953 27 3PZ 0.04238 -0.03522 0.23678 -0.00001 0.00009 28 4S -0.00016 0.00029 0.00004 -0.48657 0.64682 29 4PX -0.00002 0.00011 -0.00068 -0.17821 0.35008 30 4PY -0.00003 0.00014 0.00046 0.13598 -0.28848 31 4PZ 0.04162 -0.07557 0.50861 -0.00018 0.00057 32 5D 0 0.00000 0.00000 0.00000 -0.00263 -0.00018 33 5D+1 -0.01586 -0.02315 0.00607 0.00002 -0.00001 34 5D-1 -0.01853 -0.02750 -0.01137 -0.00002 0.00001 35 5D+2 0.00001 0.00002 0.00000 0.00538 0.00369 36 5D-2 0.00001 0.00001 0.00002 -0.01956 0.01664 37 3 C 1S 0.00001 0.00001 -0.00001 0.01812 -0.01407 38 2S 0.00002 0.00002 -0.00002 0.02791 -0.02202 39 2PX 0.00012 0.00010 0.00009 -0.04609 0.07650 40 2PY -0.00002 0.00000 -0.00005 -0.01929 0.02849 41 2PZ -0.11802 -0.13294 -0.10570 -0.00007 0.00004 42 3S -0.00006 -0.00004 0.00007 -0.06335 0.04595 43 3PX 0.00018 0.00015 0.00011 -0.05242 0.06310 44 3PY -0.00003 -0.00001 -0.00006 -0.02195 0.03409 45 3PZ -0.17847 -0.18739 -0.14899 -0.00009 0.00003 46 4S 0.00009 -0.00033 -0.00040 -0.48637 0.63245 47 4PX 0.00008 0.00034 0.00055 -0.20705 0.40209 48 4PY -0.00006 0.00013 -0.00003 -0.08665 0.18796 49 4PZ -0.17528 -0.40239 -0.32013 -0.00024 0.00015 50 5D 0 0.00002 -0.00003 0.00002 -0.00263 -0.00017 51 5D+1 0.01156 -0.01726 0.00416 0.00001 0.00000 52 5D-1 -0.01256 0.01725 -0.02907 0.00001 -0.00002 53 5D+2 0.00000 0.00000 0.00000 0.01424 -0.00428 54 5D-2 0.00002 -0.00002 0.00002 0.01444 -0.01646 55 4 C 1S -0.00001 0.00001 -0.00002 0.01811 0.00030 56 2S -0.00001 0.00001 -0.00003 0.02790 0.00047 57 2PX 0.00010 -0.00012 0.00004 -0.00637 0.00592 58 2PY -0.00004 0.00004 -0.00002 -0.04955 -0.00263 59 2PZ -0.14615 0.15799 -0.06234 0.00002 -0.00001 60 3S 0.00004 -0.00003 0.00009 -0.06332 -0.00094 61 3PX 0.00015 -0.00016 0.00006 -0.00725 -0.01393 62 3PY -0.00005 0.00005 -0.00005 -0.05637 0.00011 63 3PZ -0.22100 0.22270 -0.08788 0.00003 -0.00002 64 4S -0.00011 0.00011 0.00050 -0.48642 -0.01378 65 4PX 0.00017 -0.00048 0.00016 -0.02867 -0.03660 66 4PY 0.00006 -0.00001 -0.00019 -0.22237 -0.00536 67 4PZ -0.21705 0.47827 -0.18884 0.00003 -0.00008 68 5D 0 -0.00002 -0.00003 -0.00004 -0.00263 0.00000 69 5D+1 -0.00729 -0.01179 -0.03405 -0.00002 -0.00001 70 5D-1 0.00820 0.01262 -0.00002 0.00000 0.00001 71 5D+2 0.00000 0.00001 0.00004 -0.01962 0.00382 72 5D-2 0.00000 -0.00001 -0.00002 0.00513 0.01601 73 5 C 1S 0.00000 -0.00002 0.00000 0.01811 0.01441 74 2S 0.00000 -0.00003 0.00000 0.02790 0.02255 75 2PX 0.00002 0.00003 -0.00010 0.03977 0.06817 76 2PY -0.00004 -0.00002 0.00013 -0.03028 -0.04818 77 2PZ -0.02818 -0.02510 0.16796 0.00006 0.00007 78 3S 0.00000 0.00009 0.00000 -0.06330 -0.04708 79 3PX 0.00003 0.00005 -0.00015 0.04524 0.05398 80 3PY -0.00006 -0.00003 0.00018 -0.03444 -0.04956 81 3PZ -0.04260 -0.03539 0.23677 0.00007 0.00007 82 4S 0.00017 -0.00011 -0.00035 -0.48646 -0.64732 83 4PX 0.00012 -0.00019 -0.00040 0.17846 0.35030 84 4PY -0.00011 -0.00005 0.00054 -0.13593 -0.28858 85 4PZ -0.04183 -0.07603 0.50857 0.00029 0.00041 86 5D 0 0.00001 -0.00001 -0.00002 -0.00263 0.00018 87 5D+1 -0.01587 0.02315 -0.00609 0.00002 0.00001 88 5D-1 -0.01853 0.02750 0.01135 -0.00001 -0.00001 89 5D+2 0.00001 -0.00002 -0.00001 0.00539 -0.00366 90 5D-2 0.00000 0.00000 0.00000 -0.01956 -0.01662 91 6 C 1S -0.00001 0.00001 0.00000 0.01811 0.01408 92 2S -0.00002 0.00002 0.00000 0.02790 0.02203 93 2PX -0.00004 0.00004 0.00002 0.04610 0.07646 94 2PY 0.00011 -0.00010 -0.00005 0.01926 0.02851 95 2PZ 0.11808 -0.13295 -0.10564 0.00000 0.00001 96 3S 0.00006 -0.00008 -0.00001 -0.06332 -0.04601 97 3PX -0.00006 0.00005 0.00005 0.05242 0.06301 98 3PY 0.00015 -0.00013 -0.00008 0.02192 0.03414 99 3PZ 0.17855 -0.18742 -0.14891 -0.00001 0.00001 100 4S -0.00006 0.00006 0.00032 -0.48654 -0.63253 101 4PX -0.00015 0.00035 0.00026 0.20700 0.40213 102 4PY 0.00011 -0.00035 -0.00001 0.08647 0.18811 103 4PZ 0.17534 -0.40255 -0.31985 -0.00003 0.00006 104 5D 0 0.00002 0.00002 -0.00004 -0.00263 0.00018 105 5D+1 0.01157 0.01728 -0.00416 0.00000 -0.00001 106 5D-1 -0.01258 -0.01727 0.02905 0.00001 0.00001 107 5D+2 0.00001 0.00000 -0.00002 0.01425 0.00428 108 5D-2 0.00001 0.00002 -0.00003 0.01444 0.01645 109 7 H 1S 0.00000 -0.00002 -0.00001 0.02583 -0.00024 110 2S 0.00000 -0.00004 -0.00005 0.03483 -0.00003 111 3S 0.00001 -0.00014 -0.00029 0.65266 -0.02253 112 4PX 0.00000 -0.00001 0.00000 -0.00194 -0.00274 113 4PY 0.00000 0.00001 0.00000 -0.01514 0.00082 114 4PZ 0.01226 0.01774 -0.00699 0.00001 0.00000 115 8 H 1S -0.00002 -0.00003 0.00006 0.02583 -0.01081 116 2S -0.00003 -0.00004 0.00021 0.03481 -0.00127 117 3S -0.00003 -0.00013 0.00027 0.65259 -0.99623 118 4PX 0.00000 0.00000 -0.00002 0.01214 -0.01724 119 4PY 0.00000 0.00000 0.00002 -0.00926 0.01144 120 4PZ 0.00235 -0.00280 0.01886 0.00002 -0.00003 121 9 H 1S 0.00002 0.00001 0.00000 0.02583 -0.01057 122 2S 0.00005 0.00002 -0.00002 0.03485 -0.00126 123 3S 0.00006 0.00002 -0.00017 0.65280 -0.97440 124 4PX 0.00001 0.00001 0.00001 0.01408 -0.01918 125 4PY 0.00000 0.00000 -0.00001 0.00589 -0.00645 126 4PZ -0.00990 -0.01492 -0.01187 0.00000 -0.00002 127 10 H 1S 0.00000 0.00001 -0.00004 0.02584 0.00025 128 2S -0.00003 0.00006 -0.00004 0.03483 0.00003 129 3S -0.00003 0.00003 -0.00020 0.65259 0.02185 130 4PX 0.00001 -0.00001 0.00000 0.00195 -0.00275 131 4PY 0.00000 0.00000 -0.00001 0.01514 0.00081 132 4PZ -0.01226 0.01773 -0.00700 0.00000 0.00000 133 11 H 1S -0.00002 -0.00001 -0.00001 0.02585 0.01082 134 2S -0.00001 -0.00003 -0.00002 0.03484 0.00129 135 3S 0.00000 -0.00016 -0.00011 0.65273 0.99666 136 4PX 0.00000 0.00000 -0.00001 -0.01214 -0.01726 137 4PY 0.00000 0.00000 0.00001 0.00925 0.01142 138 4PZ -0.00236 -0.00282 0.01885 -0.00001 -0.00002 139 12 H 1S -0.00001 0.00002 0.00000 0.02583 0.01055 140 2S -0.00002 0.00008 0.00005 0.03482 0.00125 141 3S -0.00003 0.00015 0.00001 0.65278 0.97445 142 4PX -0.00001 0.00001 0.00001 -0.01409 -0.01919 143 4PY 0.00001 -0.00001 0.00000 -0.00589 -0.00643 144 4PZ 0.00990 -0.01493 -0.01186 0.00000 -0.00001 26 27 28 29 30 V V V V V Eigenvalues -- 0.07523 0.10945 0.10946 0.13384 0.14748 1 1 C 1S 0.01644 0.02974 -0.01143 0.02509 -0.00002 2 2S 0.02572 0.04791 -0.01841 0.04184 -0.00003 3 2PX 0.01224 -0.00387 -0.03125 0.00462 -0.00011 4 2PY 0.09445 0.05703 -0.01771 0.03612 0.00003 5 2PZ -0.00003 -0.00003 0.00000 0.00012 0.13492 6 3S -0.05371 -0.12188 0.04685 -0.15749 0.00009 7 3PX 0.01035 -0.00486 -0.02459 0.00492 -0.00016 8 3PY 0.08265 0.03268 -0.00915 0.03860 0.00004 9 3PZ -0.00003 -0.00001 0.00002 0.00020 0.18691 10 4S -0.73871 -0.94437 0.36250 1.00482 -0.00076 11 4PX 0.06528 -0.00667 -0.25893 0.18823 -0.00074 12 4PY 0.51376 0.64433 -0.21410 1.47296 -0.00094 13 4PZ -0.00015 -0.00041 -0.00014 -0.00019 0.63188 14 5D 0 0.00021 -0.00389 0.00149 -0.01250 0.00003 15 5D+1 -0.00001 0.00001 0.00000 0.00002 -0.00232 16 5D-1 -0.00001 0.00000 0.00001 -0.00002 -0.01818 17 5D+2 -0.01672 0.00424 -0.00037 0.00951 0.00001 18 5D-2 0.00402 0.00062 0.00456 -0.00247 0.00001 19 2 C 1S 0.00796 -0.02477 -0.02004 -0.02508 0.00001 20 2S 0.01245 -0.03991 -0.03230 -0.04182 0.00002 21 2PX -0.03331 0.02539 0.04456 0.02893 0.00004 22 2PY 0.03220 -0.04375 -0.00388 -0.02210 -0.00006 23 2PZ -0.00006 0.00009 0.00004 -0.00004 -0.13491 24 3S -0.02602 0.10152 0.08219 0.15744 -0.00012 25 3PX -0.03936 0.01156 0.02877 0.03092 0.00011 26 3PY 0.01472 -0.02853 0.00239 -0.02362 -0.00013 27 3PZ -0.00006 0.00010 0.00003 -0.00008 -0.18692 28 4S -0.35741 0.78688 0.63533 -1.00543 0.00128 29 4PX -0.21800 0.32889 0.45848 1.18041 -0.00083 30 4PY 0.12692 -0.44547 -0.10922 -0.90055 0.00026 31 4PZ -0.00036 0.00075 0.00048 0.00048 -0.63185 32 5D 0 0.00010 0.00324 0.00262 0.01250 0.00001 33 5D+1 0.00001 0.00000 0.00000 -0.00001 -0.01458 34 5D-1 0.00000 -0.00001 0.00001 0.00001 0.01111 35 5D+2 0.01610 -0.00194 0.00417 0.00260 0.00000 36 5D-2 -0.00418 -0.00395 -0.00161 -0.00947 -0.00003 37 3 C 1S -0.00851 -0.00499 0.03149 0.02506 -0.00002 38 2S -0.01333 -0.00804 0.05073 0.04180 -0.00004 39 2PX 0.04336 -0.00307 -0.05658 -0.03353 -0.00006 40 2PY 0.02389 0.03173 -0.01851 -0.01404 0.00009 41 2PZ 0.00002 -0.00002 0.00001 0.00011 0.13489 42 3S 0.02786 0.02048 -0.12909 -0.15739 0.00006 43 3PX 0.04426 -0.00456 -0.03253 -0.03584 -0.00008 44 3PY 0.00566 0.02478 -0.00945 -0.01506 0.00012 45 3PZ 0.00003 -0.00001 0.00005 0.00019 0.18688 46 4S 0.38215 0.15780 -0.99823 1.00542 0.00020 47 4PX 0.25889 0.00539 -0.63864 -1.36893 0.00067 48 4PY 0.07513 0.26588 -0.22585 -0.57311 0.00085 49 4PZ 0.00016 -0.00018 -0.00027 -0.00055 0.63166 50 5D 0 -0.00011 0.00067 -0.00413 -0.01250 0.00005 51 5D+1 -0.00002 0.00000 0.00001 0.00003 0.01690 52 5D-1 0.00000 -0.00001 -0.00001 -0.00001 0.00709 53 5D+2 -0.01626 -0.00280 -0.00345 -0.00689 0.00000 54 5D-2 0.00358 0.00369 -0.00249 -0.00699 0.00002 55 4 C 1S -0.01644 0.02977 -0.01146 -0.02506 0.00002 56 2S -0.02572 0.04796 -0.01846 -0.04179 0.00003 57 2PX 0.01222 0.00379 0.03131 0.00466 0.00004 58 2PY 0.09446 -0.05704 0.01775 0.03604 -0.00008 59 2PZ -0.00001 -0.00002 -0.00003 -0.00012 -0.13488 60 3S 0.05372 -0.12208 0.04698 0.15737 -0.00013 61 3PX 0.01029 0.00478 0.02463 0.00500 0.00006 62 3PY 0.08268 -0.03270 0.00919 0.03855 -0.00006 63 3PZ 0.00000 -0.00004 -0.00004 -0.00016 -0.18685 64 4S 0.73875 -0.94289 0.36321 -1.00572 0.00081 65 4PX 0.06525 0.00568 0.25923 0.18959 -0.00032 66 4PY 0.51373 -0.64559 0.21477 1.47154 -0.00147 67 4PZ 0.00000 0.00002 -0.00004 -0.00099 -0.63159 68 5D 0 -0.00020 -0.00390 0.00151 0.01250 0.00001 69 5D+1 0.00001 0.00000 0.00000 -0.00002 -0.00234 70 5D-1 0.00000 0.00000 0.00000 -0.00001 -0.01818 71 5D+2 0.01671 0.00425 -0.00038 -0.00950 0.00001 72 5D-2 -0.00404 0.00060 0.00458 0.00248 0.00000 73 5 C 1S -0.00793 -0.02479 -0.02004 0.02506 -0.00001 74 2S -0.01240 -0.03994 -0.03229 0.04180 -0.00002 75 2PX -0.03332 -0.02544 -0.04459 0.02894 -0.00013 76 2PY 0.03221 0.04371 0.00383 -0.02202 0.00008 77 2PZ -0.00005 -0.00001 0.00000 0.00017 0.13490 78 3S 0.02586 0.10169 0.08215 -0.15738 0.00011 79 3PX -0.03939 -0.01161 -0.02881 0.03095 -0.00018 80 3PY 0.01477 0.02851 -0.00242 -0.02356 0.00011 81 3PZ -0.00004 0.00001 0.00004 0.00025 0.18690 82 4S 0.35673 0.78490 0.63633 1.00614 -0.00158 83 4PX -0.21777 -0.33040 -0.45833 1.18113 -0.00151 84 4PY 0.12672 0.44574 0.10836 -0.89864 0.00103 85 4PZ -0.00028 -0.00025 -0.00027 0.00186 0.63176 86 5D 0 -0.00010 0.00325 0.00263 -0.01250 -0.00002 87 5D+1 -0.00001 0.00000 0.00000 0.00000 -0.01458 88 5D-1 -0.00001 0.00000 0.00000 0.00000 0.01111 89 5D+2 -0.01611 -0.00193 0.00418 -0.00261 0.00000 90 5D-2 0.00419 -0.00395 -0.00161 0.00946 0.00000 91 6 C 1S 0.00848 -0.00494 0.03148 -0.02508 0.00003 92 2S 0.01327 -0.00796 0.05071 -0.04182 0.00004 93 2PX 0.04336 0.00314 0.05662 -0.03358 0.00008 94 2PY 0.02391 -0.03167 0.01844 -0.01404 -0.00004 95 2PZ 0.00001 0.00000 0.00001 -0.00017 -0.13491 96 3S -0.02769 0.02023 -0.12903 0.15744 -0.00013 97 3PX 0.04429 0.00463 0.03255 -0.03590 0.00010 98 3PY 0.00570 -0.02472 0.00937 -0.01499 -0.00007 99 3PZ 0.00002 -0.00001 0.00001 -0.00022 -0.18692 100 4S -0.38165 0.15746 -0.99910 -1.00499 0.00035 101 4PX 0.25856 -0.00380 0.63859 -1.36995 0.00139 102 4PY 0.07507 -0.26503 0.22510 -0.57235 0.00039 103 4PZ 0.00009 0.00005 0.00018 -0.00070 -0.63184 104 5D 0 0.00011 0.00064 -0.00412 0.01250 -0.00002 105 5D+1 0.00001 0.00000 0.00000 0.00003 0.01691 106 5D-1 0.00001 0.00001 0.00000 0.00003 0.00706 107 5D+2 0.01628 -0.00280 -0.00346 0.00690 -0.00003 108 5D-2 -0.00357 0.00368 -0.00247 0.00699 -0.00002 109 7 H 1S 0.01232 0.00298 -0.00115 0.00926 -0.00002 110 2S 0.00143 0.02722 -0.01047 0.16309 -0.00023 111 3S 1.13794 1.26451 -0.48581 1.29151 -0.00117 112 4PX -0.00305 -0.00626 -0.01035 -0.00118 -0.00001 113 4PY -0.02338 -0.01493 0.00737 -0.00921 0.00002 114 4PZ 0.00001 0.00000 -0.00001 0.00002 0.02062 115 8 H 1S 0.00596 -0.00248 -0.00202 -0.00927 -0.00006 116 2S 0.00071 -0.02262 -0.01849 -0.16305 -0.00025 117 3S 0.55006 -1.05334 -0.85237 -1.29100 0.00153 118 4PX 0.00756 -0.01491 -0.00270 -0.00738 0.00004 119 4PY -0.00888 0.00188 0.01379 0.00562 -0.00003 120 4PZ 0.00001 -0.00001 -0.00002 -0.00002 -0.02062 121 9 H 1S -0.00637 -0.00051 0.00318 0.00927 -0.00001 122 2S -0.00074 -0.00465 0.02894 0.16309 -0.00026 123 3S -0.58843 -0.21237 1.33869 1.28997 -0.00142 124 4PX -0.01031 -0.00699 0.01451 0.00854 -0.00002 125 4PY -0.00694 0.00993 0.00809 0.00358 0.00001 126 4PZ -0.00001 -0.00001 0.00001 0.00002 0.02062 127 10 H 1S -0.01233 0.00301 -0.00115 -0.00927 -0.00003 128 2S -0.00145 0.02742 -0.01047 -0.16303 -0.00006 129 3S -1.13791 1.26540 -0.48712 -1.28951 0.00143 130 4PX -0.00307 0.00626 0.01035 -0.00118 0.00001 131 4PY -0.02337 0.01493 -0.00739 -0.00919 0.00001 132 4PZ 0.00000 0.00000 0.00000 -0.00002 -0.02062 133 11 H 1S -0.00597 -0.00251 -0.00202 0.00928 -0.00003 134 2S -0.00072 -0.02287 -0.01835 0.16306 -0.00018 135 3S -0.54948 -1.05388 -0.85222 1.28981 -0.00098 136 4PX 0.00756 0.01491 0.00271 -0.00737 0.00000 137 4PY -0.00886 -0.00187 -0.01379 0.00562 0.00001 138 4PZ 0.00001 0.00002 0.00001 0.00001 0.02062 139 12 H 1S 0.00637 -0.00050 0.00316 -0.00926 0.00000 140 2S 0.00072 -0.00451 0.02885 -0.16307 0.00016 141 3S 0.58794 -0.21003 1.33870 -1.29111 0.00127 142 4PX -0.01031 0.00697 -0.01452 0.00856 0.00000 143 4PY -0.00693 -0.00994 -0.00810 0.00357 -0.00001 144 4PZ 0.00000 0.00001 0.00000 -0.00003 -0.02062 31 32 33 34 35 V V V V V Eigenvalues -- 0.26701 0.26706 0.28178 0.28186 0.30067 1 1 C 1S -0.03453 0.01576 -0.00761 0.01322 0.00289 2 2S -0.05550 0.02533 -0.01238 0.02152 0.00469 3 2PX 0.00149 -0.02917 -0.09369 -0.05942 0.00242 4 2PY 0.09083 -0.03786 0.03846 -0.03889 0.01922 5 2PZ -0.00004 0.00001 -0.00004 0.00000 0.00005 6 3S 0.11489 -0.05259 0.03789 -0.06682 0.02505 7 3PX 0.01819 0.00231 -0.09564 -0.07356 0.01463 8 3PY 0.10395 -0.04932 0.08148 -0.11412 0.11565 9 3PZ -0.00003 -0.00003 -0.00006 0.00003 0.00006 10 4S 2.62649 -1.20082 0.82998 -1.45406 -0.18628 11 4PX -0.26123 -1.09610 -1.52772 -0.87240 0.01679 12 4PY 1.50486 -0.52755 0.32526 -0.09811 0.12403 13 4PZ -0.00085 0.00004 -0.00063 -0.00016 0.00016 14 5D 0 0.00532 -0.00246 0.00131 -0.00231 -0.02823 15 5D+1 -0.00002 -0.00002 -0.00003 0.00000 -0.00002 16 5D-1 0.00000 -0.00002 0.00000 0.00003 -0.00005 17 5D+2 -0.00754 0.01510 -0.01530 0.04994 -0.02970 18 5D-2 0.01915 0.03471 0.04311 0.00834 0.00772 19 2 C 1S 0.00384 -0.03778 -0.01520 0.00047 0.00291 20 2S 0.00617 -0.06072 -0.02475 0.00076 0.00473 21 2PX 0.02388 -0.07744 -0.04323 -0.06658 -0.01528 22 2PY 0.01461 0.06139 0.03061 -0.08966 0.01180 23 2PZ 0.00001 -0.00007 -0.00004 0.00002 -0.00011 24 3S -0.01298 0.12582 0.07666 -0.00194 0.02496 25 3PX 0.00407 -0.09301 -0.11307 -0.07061 -0.09246 26 3PY -0.01517 0.06873 0.08311 -0.09749 0.07080 27 3PZ 0.00002 -0.00012 -0.00016 0.00003 -0.00032 28 4S -0.29490 2.87532 1.66983 -0.04795 -0.18807 29 4PX 0.79936 -1.20784 -0.20572 -1.06496 -0.09840 30 4PY 0.78753 1.04714 0.12905 -1.41957 0.07647 31 4PZ -0.00010 -0.00042 0.00038 0.00012 -0.00028 32 5D 0 -0.00061 0.00582 0.00265 -0.00009 -0.02823 33 5D+1 0.00002 0.00003 0.00004 0.00000 0.00003 34 5D-1 0.00002 -0.00001 -0.00004 -0.00002 -0.00002 35 5D+2 0.03885 0.00720 0.01359 -0.04181 0.00816 36 5D-2 0.01249 -0.01194 -0.05111 -0.01048 -0.02956 37 3 C 1S 0.03094 0.02206 -0.00758 -0.01313 0.00289 38 2S 0.04974 0.03545 -0.01234 -0.02137 0.00470 39 2PX 0.08094 0.04512 -0.06150 -0.01991 -0.01787 40 2PY 0.01633 0.04148 0.07801 -0.07078 -0.00739 41 2PZ 0.00008 0.00004 -0.00008 -0.00003 0.00006 42 3S -0.10318 -0.07330 0.03868 0.06604 0.02498 43 3PX 0.08591 0.06514 -0.10590 -0.08756 -0.10737 44 3PY 0.04095 0.01814 0.06778 -0.10365 -0.04490 45 3PZ 0.00009 0.00005 -0.00011 -0.00006 0.00008 46 4S -2.35452 -1.67836 0.83768 1.44133 -0.18746 47 4PX 1.45805 0.51339 -0.68864 0.15825 -0.11638 48 4PY -0.10773 1.19209 1.35433 -0.93075 -0.04682 49 4PZ 0.00145 0.00034 -0.00117 -0.00015 0.00008 50 5D 0 -0.00479 -0.00341 0.00134 0.00223 -0.02823 51 5D+1 0.00002 0.00000 -0.00002 0.00004 0.00006 52 5D-1 -0.00001 0.00001 0.00005 0.00001 0.00003 53 5D+2 0.00933 -0.02895 -0.00710 0.04781 0.02148 54 5D-2 -0.02496 0.01784 0.04516 0.01661 0.02181 55 4 C 1S -0.03467 0.01560 0.00711 -0.01336 0.00292 56 2S -0.05573 0.02507 0.01159 -0.02175 0.00474 57 2PX 0.00005 0.02869 -0.09370 -0.05965 -0.00250 58 2PY -0.09149 0.03736 0.03730 -0.03923 -0.01910 59 2PZ 0.00002 0.00001 -0.00004 -0.00002 -0.00005 60 3S 0.11558 -0.05178 -0.03639 0.06730 0.02487 61 3PX -0.01656 -0.00299 -0.09606 -0.07330 -0.01492 62 3PY -0.10527 0.04794 0.08030 -0.11472 -0.11527 63 3PZ -0.00001 0.00000 -0.00002 -0.00003 -0.00006 64 4S 2.63826 -1.18531 -0.78655 1.46720 -0.18909 65 4PX 0.28236 1.09093 -1.52036 -0.88595 -0.01682 66 4PY -1.50914 0.52643 0.30198 -0.10369 -0.12423 67 4PZ 0.00085 0.00021 -0.00096 -0.00032 -0.00022 68 5D 0 0.00536 -0.00242 -0.00122 0.00228 -0.02824 69 5D+1 -0.00001 0.00000 0.00004 -0.00005 0.00002 70 5D-1 0.00003 0.00004 -0.00002 -0.00001 -0.00004 71 5D+2 -0.00781 0.01450 0.01526 -0.05014 -0.02959 72 5D-2 0.01982 0.03472 -0.04275 -0.00870 0.00768 73 5 C 1S 0.00361 -0.03782 0.01517 -0.00007 0.00293 74 2S 0.00581 -0.06080 0.02469 -0.00011 0.00477 75 2PX -0.02326 0.07677 -0.04340 -0.06728 0.01541 76 2PY -0.01511 -0.06251 0.03029 -0.08911 -0.01152 77 2PZ -0.00001 0.00013 -0.00008 0.00002 0.00006 78 3S -0.01186 0.12606 -0.07657 0.00075 0.02488 79 3PX -0.00242 0.09243 -0.11287 -0.07133 0.09264 80 3PY 0.01391 -0.07009 0.08344 -0.09701 -0.07020 81 3PZ -0.00004 0.00019 -0.00015 0.00003 0.00016 82 4S -0.27180 2.87902 -1.66714 0.01192 -0.19141 83 4PX -0.79745 1.19791 -0.21672 -1.07823 0.09931 84 4PY -0.78971 -1.06096 0.11260 -1.40710 -0.07341 85 4PZ 0.00009 0.00165 -0.00063 0.00032 0.00037 86 5D 0 -0.00056 0.00583 -0.00261 0.00000 -0.02823 87 5D+1 0.00000 0.00000 -0.00004 0.00002 0.00003 88 5D-1 0.00003 0.00001 0.00001 0.00004 -0.00004 89 5D+2 0.03908 0.00770 -0.01300 0.04173 0.00808 90 5D-2 0.01169 -0.01194 0.05130 0.01054 -0.02952 91 6 C 1S 0.03081 0.02219 0.00809 0.01289 0.00287 92 2S 0.04952 0.03566 0.01317 0.02098 0.00467 93 2PX -0.07991 -0.04517 -0.06272 -0.01937 0.01786 94 2PY -0.01768 -0.04251 0.07759 -0.07041 0.00756 95 2PZ 0.00000 0.00002 -0.00004 0.00005 0.00000 96 3S -0.10251 -0.07396 -0.04032 -0.06524 0.02505 97 3PX -0.08422 -0.06577 -0.10725 -0.08661 0.10754 98 3PY -0.04225 -0.01956 0.06690 -0.10361 0.04494 99 3PZ 0.00003 0.00001 -0.00004 0.00006 0.00009 100 4S -2.34372 -1.68984 -0.88327 -1.41934 -0.18480 101 4PX -1.44831 -0.50970 -0.71401 0.16514 0.11563 102 4PY 0.08785 -1.20379 1.35303 -0.91642 0.05119 103 4PZ -0.00023 0.00066 -0.00080 0.00085 -0.00032 104 5D 0 -0.00476 -0.00345 -0.00137 -0.00225 -0.02823 105 5D+1 0.00001 -0.00004 0.00002 0.00000 0.00002 106 5D-1 -0.00001 -0.00001 -0.00002 -0.00005 -0.00001 107 5D+2 0.00921 -0.02951 0.00715 -0.04747 0.02157 108 5D-2 -0.02425 0.01775 -0.04550 -0.01675 0.02178 109 7 H 1S -0.00436 0.00145 0.03879 -0.07012 0.07059 110 2S 0.04807 -0.02405 0.18408 -0.33166 0.62222 111 3S 0.79467 -0.35905 -0.06886 0.13661 -0.29830 112 4PX -0.01296 -0.02470 -0.01957 -0.00956 0.00156 113 4PY -0.01102 0.00896 -0.00111 0.00757 0.01190 114 4PZ 0.00001 0.00000 0.00000 -0.00001 0.00001 115 8 H 1S -0.00020 -0.00450 0.08016 -0.00134 0.07054 116 2S -0.00818 0.05378 0.37927 -0.00659 0.62203 117 3S -0.08384 0.86772 -0.15416 -0.00229 -0.29863 118 4PX 0.01583 0.01253 0.00566 -0.01344 -0.00955 119 4PY 0.02309 -0.00624 -0.00450 -0.01728 0.00728 120 4PZ 0.00000 0.00003 0.00000 0.00000 -0.00005 121 9 H 1S 0.00333 0.00298 0.04132 0.06881 0.07046 122 2S -0.04529 -0.02976 0.19482 0.32636 0.62156 123 3S -0.70801 -0.50890 -0.08557 -0.12986 -0.29777 124 4PX -0.00403 -0.01620 -0.00384 0.01014 -0.01107 125 4PY -0.01960 0.01790 0.01860 -0.00813 -0.00460 126 4PZ 0.00001 0.00000 -0.00001 0.00001 0.00001 127 10 H 1S -0.00373 0.00236 -0.03894 0.07021 0.07040 128 2S 0.05090 -0.01987 -0.18394 0.33297 0.62138 129 3S 0.79330 -0.36137 0.08083 -0.13345 -0.29774 130 4PX 0.01326 0.02464 -0.01929 -0.00987 -0.00154 131 4PY 0.01104 -0.00889 -0.00095 0.00765 -0.01191 132 4PZ 0.00001 0.00002 0.00000 -0.00001 -0.00002 133 11 H 1S 0.00111 -0.00429 -0.08026 0.00154 0.07046 134 2S -0.00225 0.05472 -0.38001 0.00696 0.62149 135 3S -0.08710 0.86718 0.15543 -0.00794 -0.29887 136 4PX -0.01592 -0.01270 0.00535 -0.01328 0.00956 137 4PY -0.02304 0.00605 -0.00487 -0.01735 -0.00726 138 4PZ 0.00001 0.00000 0.00000 0.00001 0.00002 139 12 H 1S 0.00394 0.00230 -0.04134 -0.06870 0.07052 140 2S -0.04253 -0.03284 -0.19641 -0.32479 0.62198 141 3S -0.70939 -0.50726 0.07355 0.13523 -0.29755 142 4PX 0.00410 0.01631 -0.00376 0.00997 0.01105 143 4PY 0.01930 -0.01803 0.01886 -0.00791 0.00468 144 4PZ 0.00000 0.00002 -0.00001 0.00001 0.00000 36 37 38 39 40 V V V V V Eigenvalues -- 0.34244 0.38977 0.40121 0.40123 0.41930 1 1 C 1S -0.00002 -0.00005 0.00143 -0.00594 -0.04535 2 2S -0.00004 -0.00007 0.00070 -0.00304 -0.07454 3 2PX -0.05589 0.00000 0.10898 0.02046 0.00218 4 2PY 0.00717 0.00003 -0.00177 -0.05212 0.01561 5 2PZ -0.00001 0.09021 0.00010 0.00005 -0.00010 6 3S 0.00016 -0.00002 0.05947 -0.24110 0.12406 7 3PX -0.26825 -0.00004 0.20221 0.01345 -0.00166 8 3PY 0.03428 0.00010 0.04226 -0.27894 -0.01488 9 3PZ -0.00006 0.35162 0.00015 0.00021 -0.00039 10 4S 0.00002 0.00849 -0.62387 2.52114 5.17532 11 4PX 0.54439 0.00166 1.85440 0.48190 0.38680 12 4PY -0.07073 0.00487 -0.28673 0.13052 3.00605 13 4PZ 0.00022 -0.31715 0.00084 -0.00017 -0.00100 14 5D 0 0.00003 -0.00002 -0.00895 0.03654 0.00402 15 5D+1 0.00001 0.00224 -0.00002 0.00000 0.00007 16 5D-1 0.00000 0.01762 -0.00005 0.00002 0.00000 17 5D+2 -0.00391 0.00001 0.00242 -0.02254 0.00528 18 5D-2 -0.01512 0.00000 -0.01252 0.00291 -0.00141 19 2 C 1S -0.00002 0.00007 0.00580 -0.00160 0.04540 20 2S -0.00004 0.00011 0.00289 -0.00071 0.07460 21 2PX 0.03418 -0.00005 -0.01970 0.07620 0.01229 22 2PY 0.04488 0.00009 0.05435 0.07669 -0.00962 23 2PZ 0.00001 0.09019 -0.00018 -0.00002 0.00014 24 3S 0.00023 -0.00014 0.23860 -0.06939 -0.12346 25 3PX 0.16396 -0.00028 -0.18198 0.17963 -0.01304 26 3PY 0.21517 0.00029 0.20985 0.10587 0.00904 27 3PZ 0.00003 0.35156 -0.00060 -0.00007 0.00062 28 4S 0.00131 -0.00936 -2.48376 0.71734 -5.18354 29 4PX -0.33252 0.00530 0.47103 1.08493 2.41055 30 4PY -0.43523 -0.00336 0.31623 1.50819 -1.83807 31 4PZ 0.00000 -0.31712 -0.00061 0.00030 -0.00016 32 5D 0 0.00002 0.00002 -0.03614 0.01043 -0.00416 33 5D+1 -0.00001 -0.01413 0.00000 0.00001 -0.00006 34 5D-1 -0.00001 0.01078 0.00001 -0.00001 0.00009 35 5D+2 -0.01507 0.00003 -0.00267 0.01268 0.00141 36 5D-2 -0.00409 -0.00008 0.02238 -0.00319 -0.00516 37 3 C 1S -0.00002 -0.00004 0.00448 0.00414 -0.04549 38 2S -0.00005 -0.00007 0.00238 0.00201 -0.07475 39 2PX 0.02167 -0.00008 -0.00374 -0.06342 -0.01450 40 2PY -0.05198 0.00001 -0.08561 0.06074 -0.00582 41 2PZ 0.00003 0.09018 0.00004 -0.00009 0.00013 42 3S 0.00044 0.00010 0.17883 0.17213 0.12405 43 3PX 0.10421 -0.00035 -0.13462 -0.23688 0.01439 44 3PY -0.24951 0.00003 -0.20783 0.05834 0.00663 45 3PZ 0.00013 0.35149 -0.00016 -0.00039 0.00061 46 4S -0.00171 0.00743 -1.87287 -1.79101 5.18100 47 4PX -0.21096 -0.00484 0.64759 -0.41628 -2.79539 48 4PY 0.50740 -0.00261 -1.17935 1.33698 -1.17249 49 4PZ -0.00030 -0.31698 0.00155 0.00002 -0.00277 50 5D 0 0.00003 -0.00007 -0.02720 -0.02601 0.00418 51 5D+1 -0.00001 -0.01638 0.00007 0.00004 -0.00011 52 5D-1 0.00000 -0.00687 0.00001 -0.00001 -0.00008 53 5D+2 -0.01114 -0.00003 -0.00590 -0.01731 -0.00374 54 5D-2 0.01096 -0.00004 -0.01775 -0.00543 -0.00375 55 4 C 1S -0.00002 0.00006 -0.00154 0.00595 0.04551 56 2S -0.00004 0.00010 -0.00088 0.00306 0.07478 57 2PX -0.05592 0.00002 0.10929 0.02011 0.00191 58 2PY 0.00713 0.00003 -0.00184 -0.05209 0.01550 59 2PZ -0.00005 0.09019 -0.00005 -0.00005 -0.00012 60 3S 0.00037 -0.00015 -0.05921 0.24090 -0.12421 61 3PX -0.26828 -0.00012 0.20301 0.01254 -0.00209 62 3PY 0.03429 0.00012 0.04240 -0.27877 -0.01566 63 3PZ -0.00024 0.35150 -0.00026 -0.00015 -0.00042 64 4S -0.00025 -0.00836 0.62349 -2.52031 -5.17863 65 4PX 0.54372 0.00179 1.85427 0.48267 0.38685 66 4PY -0.07025 0.00490 -0.28691 0.13028 3.00611 67 4PZ 0.00037 -0.31696 0.00156 0.00013 -0.00100 68 5D 0 0.00001 0.00003 0.00906 -0.03653 -0.00419 69 5D+1 0.00000 -0.00228 -0.00001 0.00007 0.00007 70 5D-1 0.00002 -0.01760 0.00003 -0.00002 -0.00002 71 5D+2 0.00400 -0.00002 -0.00250 0.02248 -0.00511 72 5D-2 0.01509 0.00003 0.01259 -0.00301 0.00131 73 5 C 1S -0.00001 -0.00005 -0.00581 0.00170 -0.04549 74 2S -0.00003 -0.00008 -0.00290 0.00088 -0.07474 75 2PX 0.03420 -0.00006 -0.01999 0.07624 0.01242 76 2PY 0.04487 0.00009 0.05406 0.07688 -0.00937 77 2PZ -0.00001 0.09018 -0.00003 0.00002 -0.00032 78 3S 0.00026 -0.00011 -0.23855 0.06904 0.12380 79 3PX 0.16393 -0.00031 -0.18275 0.17995 -0.01253 80 3PY 0.21522 0.00036 0.20890 0.10620 0.01016 81 3PZ -0.00006 0.35152 -0.00029 0.00010 -0.00138 82 4S -0.00175 0.00920 2.48448 -0.71772 5.18500 83 4PX -0.33273 0.00422 0.47244 1.08412 2.41025 84 4PY -0.43535 -0.00260 0.31736 1.50814 -1.83893 85 4PZ 0.00008 -0.31708 0.00046 -0.00043 0.00433 86 5D 0 0.00002 0.00005 0.03615 -0.01050 0.00420 87 5D+1 0.00000 0.01414 -0.00003 -0.00003 -0.00008 88 5D-1 0.00001 -0.01075 0.00005 -0.00003 0.00011 89 5D+2 0.01504 0.00000 0.00277 -0.01273 -0.00139 90 5D-2 0.00420 0.00001 -0.02233 0.00323 0.00510 91 6 C 1S -0.00003 0.00005 -0.00437 -0.00421 0.04539 92 2S -0.00004 0.00008 -0.00219 -0.00212 0.07458 93 2PX 0.02173 -0.00006 -0.00385 -0.06350 -0.01427 94 2PY -0.05196 0.00001 -0.08531 0.06093 -0.00648 95 2PZ 0.00005 0.09019 -0.00003 -0.00005 -0.00039 96 3S 0.00014 -0.00017 -0.17908 -0.17214 -0.12367 97 3PX 0.10423 -0.00029 -0.13455 -0.23733 0.01472 98 3PY -0.24949 0.00009 -0.20708 0.05868 0.00504 99 3PZ 0.00021 0.35156 -0.00013 -0.00005 -0.00153 100 4S 0.00195 -0.00699 1.87236 1.79138 -5.17994 101 4PX -0.21151 -0.00365 0.64721 -0.41611 -2.79560 102 4PY 0.50691 -0.00218 -1.17989 1.33682 -1.17187 103 4PZ -0.00037 -0.31707 0.00067 -0.00133 0.00199 104 5D 0 0.00003 0.00001 0.02708 0.02610 -0.00411 105 5D+1 0.00001 0.01640 -0.00001 -0.00001 -0.00009 106 5D-1 0.00000 0.00684 0.00003 0.00007 -0.00008 107 5D+2 0.01109 -0.00001 0.00590 0.01744 0.00373 108 5D-2 -0.01101 0.00002 0.01762 0.00545 0.00387 109 7 H 1S -0.00007 -0.00009 0.01072 -0.04375 -0.07526 110 2S -0.00092 0.00006 0.20215 -0.82424 -0.20446 111 3S 0.00029 0.00155 -0.08907 0.36110 1.18887 112 4PX 0.03347 0.00001 0.00429 -0.00434 0.00170 113 4PY -0.00431 0.00003 0.00930 -0.03952 0.01315 114 4PZ 0.00001 -0.00018 0.00003 0.00002 -0.00002 115 8 H 1S -0.00004 0.00011 0.04316 -0.01236 0.07544 116 2S -0.00013 -0.00018 0.81506 -0.23503 0.20743 117 3S 0.00023 -0.00180 -0.35513 0.10160 -1.19003 118 4PX -0.02048 0.00004 -0.03075 0.01092 0.01048 119 4PY -0.02683 -0.00003 0.02451 -0.00446 -0.00794 120 4PZ 0.00000 -0.00019 -0.00009 0.00002 -0.00008 121 9 H 1S -0.00001 -0.00007 0.03266 0.03103 -0.07560 122 2S -0.00018 0.00079 0.61345 0.58679 -0.20837 123 3S -0.00001 0.00147 -0.26928 -0.25557 1.19074 124 4PX -0.01303 -0.00006 -0.02638 -0.02701 -0.01216 125 4PY 0.03113 -0.00003 -0.01341 -0.00883 -0.00511 126 4PZ -0.00002 -0.00018 0.00001 -0.00001 -0.00007 127 10 H 1S -0.00001 0.00009 -0.01095 0.04376 0.07566 128 2S 0.00026 -0.00014 -0.20450 0.82407 0.20863 129 3S 0.00004 -0.00152 0.09034 -0.36119 -1.19065 130 4PX 0.03347 0.00001 0.00430 -0.00430 0.00167 131 4PY -0.00434 0.00004 0.00933 -0.03948 0.01310 132 4PZ 0.00002 -0.00018 -0.00001 -0.00001 -0.00003 133 11 H 1S -0.00005 -0.00011 -0.04320 0.01253 -0.07562 134 2S -0.00042 -0.00054 -0.81510 0.23682 -0.20913 135 3S 0.00006 0.00157 0.35556 -0.10273 1.19098 136 4PX -0.02044 0.00000 -0.03069 0.01093 0.01043 137 4PY -0.02686 0.00000 0.02453 -0.00447 -0.00801 138 4PZ 0.00001 -0.00019 -0.00002 0.00002 0.00005 139 12 H 1S -0.00009 0.00007 -0.03239 -0.03119 0.07539 140 2S -0.00076 -0.00019 -0.61095 -0.58859 0.20637 141 3S 0.00052 -0.00117 0.26766 0.25637 -1.18971 142 4PX -0.01302 -0.00003 -0.02637 -0.02706 -0.01217 143 4PY 0.03114 -0.00001 -0.01341 -0.00886 -0.00509 144 4PZ -0.00002 -0.00019 -0.00003 -0.00002 0.00004 41 42 43 44 45 V V V V V Eigenvalues -- 0.43447 0.43451 0.44585 0.44587 0.44989 1 1 C 1S -0.03130 0.01221 0.00011 0.00008 -0.03400 2 2S -0.05061 0.01976 0.00020 0.00015 -0.06769 3 2PX -0.04180 -0.09823 0.00002 -0.00001 0.00551 4 2PY -0.01729 0.02132 -0.00015 -0.00013 0.04296 5 2PZ -0.00003 0.00002 0.06194 -0.10450 0.00000 6 3S 0.05406 -0.02171 -0.00108 -0.00075 0.53051 7 3PX -0.13418 -0.29136 0.00021 -0.00007 0.02404 8 3PY -0.12202 0.09104 -0.00023 -0.00037 0.18686 9 3PZ -0.00007 0.00021 0.25975 -0.43826 -0.00005 10 4S 1.16088 -0.44653 -0.00043 -0.00104 -0.46097 11 4PX 0.06618 0.08107 -0.00055 0.00069 -0.01598 12 4PY 0.26443 -0.11605 0.00074 -0.00032 -0.12478 13 4PZ -0.00011 -0.00071 -0.33140 0.55950 0.00001 14 5D 0 0.02670 -0.01034 -0.00004 0.00003 -0.03156 15 5D+1 -0.00004 0.00005 0.02986 0.00963 0.00002 16 5D-1 0.00000 0.00005 0.02428 -0.04865 -0.00001 17 5D+2 -0.03117 0.01521 -0.00003 0.00001 0.05598 18 5D-2 0.01247 0.00710 0.00003 0.00001 -0.01459 19 2 C 1S 0.00513 -0.03311 -0.00002 -0.00004 -0.03403 20 2S 0.00832 -0.05353 -0.00003 -0.00007 -0.06774 21 2PX 0.06159 0.02889 -0.00014 0.00003 -0.03441 22 2PY 0.08662 -0.00155 0.00017 0.00004 0.02619 23 2PZ -0.00006 0.00017 0.12145 0.00146 0.00003 24 3S -0.00940 0.05679 -0.00011 -0.00005 0.53052 25 3PX 0.17597 0.14617 -0.00028 0.00022 -0.14983 26 3PY 0.26679 -0.05011 0.00040 -0.00009 0.11386 27 3PZ -0.00026 0.00061 0.50936 0.00616 0.00018 28 4S -0.19106 1.22258 0.00290 0.00214 -0.45767 29 4PX -0.02264 -0.23194 0.00175 -0.00038 0.09910 30 4PY -0.11065 0.16113 -0.00085 0.00119 -0.07421 31 4PZ 0.00023 -0.00005 -0.65002 -0.00812 -0.00032 32 5D 0 -0.00426 0.02835 0.00003 0.00006 -0.03156 33 5D+1 0.00004 -0.00003 -0.04371 0.01819 -0.00008 34 5D-1 -0.00002 0.00002 0.03286 0.02495 0.00012 35 5D+2 0.00953 0.01106 0.00005 0.00003 -0.01531 36 5D-2 0.00816 -0.03366 -0.00020 -0.00008 0.05575 37 3 C 1S 0.02600 0.02099 0.00013 0.00011 -0.03400 38 2S 0.04205 0.03394 0.00024 0.00018 -0.06769 39 2PX 0.00853 -0.04631 0.00009 -0.00006 -0.04001 40 2PY -0.06911 0.07165 -0.00001 0.00005 -0.01663 41 2PZ -0.00005 -0.00009 0.05954 0.10590 0.00022 42 3S -0.04501 -0.03653 -0.00107 -0.00070 0.53056 43 3PX -0.02844 -0.18266 0.00005 -0.00052 -0.17406 44 3PY -0.23019 0.19671 -0.00031 0.00014 -0.07227 45 3PZ -0.00028 -0.00029 0.24970 0.44412 0.00079 46 4S -0.94357 -0.77478 -0.00225 -0.00287 -0.46173 47 4PX 0.16992 0.19520 -0.00007 0.00112 0.11603 48 4PY 0.14550 -0.00182 0.00127 0.00000 0.04880 49 4PZ 0.00057 0.00012 -0.31891 -0.56663 -0.00107 50 5D 0 -0.02230 -0.01791 -0.00005 -0.00011 -0.03157 51 5D+1 0.00004 0.00003 -0.01435 -0.04980 -0.00002 52 5D-1 0.00001 -0.00008 -0.03515 -0.00445 -0.00006 53 5D+2 -0.01449 -0.02206 0.00000 0.00004 -0.04060 54 5D-2 -0.02489 -0.00959 0.00005 -0.00001 -0.04121 55 4 C 1S -0.03106 0.01217 -0.00009 -0.00002 -0.03401 56 2S -0.05024 0.01968 -0.00014 -0.00004 -0.06771 57 2PX 0.04150 0.09818 -0.00002 -0.00001 -0.00545 58 2PY 0.01729 -0.02151 0.00002 -0.00003 -0.04301 59 2PZ 0.00008 -0.00001 -0.06200 0.10449 0.00002 60 3S 0.05392 -0.02097 0.00003 -0.00006 0.53063 61 3PX 0.13363 0.29113 -0.00003 -0.00014 -0.02358 62 3PY 0.12135 -0.09197 0.00042 0.00011 -0.18705 63 3PZ 0.00023 -0.00017 -0.26004 0.43821 0.00010 64 4S 1.12846 -0.44726 0.00370 0.00146 -0.45996 65 4PX -0.07369 -0.08105 -0.00066 0.00123 0.01534 66 4PY -0.24784 0.11213 -0.00222 -0.00002 0.12368 67 4PZ 0.00004 0.00030 0.33210 -0.55914 -0.00009 68 5D 0 0.02662 -0.01045 0.00012 0.00010 -0.03158 69 5D+1 -0.00007 0.00003 0.02987 0.00962 0.00016 70 5D-1 0.00001 0.00007 0.02430 -0.04864 -0.00006 71 5D+2 -0.03114 0.01528 -0.00013 -0.00009 0.05597 72 5D-2 0.01244 0.00707 0.00004 0.00007 -0.01464 73 5 C 1S 0.00494 -0.03303 0.00016 0.00007 -0.03401 74 2S 0.00797 -0.05341 0.00028 0.00013 -0.06772 75 2PX -0.06135 -0.02874 0.00002 -0.00007 0.03440 76 2PY -0.08680 0.00167 -0.00008 0.00008 -0.02623 77 2PZ 0.00007 -0.00015 -0.12146 -0.00138 -0.00013 78 3S -0.00785 0.05706 -0.00108 -0.00073 0.53053 79 3PX -0.17495 -0.14559 0.00028 -0.00015 0.14963 80 3PY -0.26754 0.04994 -0.00055 0.00014 -0.11420 81 3PZ 0.00033 -0.00068 -0.50941 -0.00578 -0.00048 82 4S -0.17875 1.20913 -0.00469 -0.00039 -0.46019 83 4PX 0.03318 0.23193 -0.00167 0.00071 -0.09922 84 4PY 0.10219 -0.15250 0.00220 0.00045 0.07618 85 4PZ -0.00058 0.00100 0.65007 0.00719 0.00070 86 5D 0 -0.00439 0.02829 -0.00013 -0.00003 -0.03158 87 5D+1 0.00003 -0.00006 -0.04372 0.01821 -0.00005 88 5D-1 -0.00002 0.00005 0.03285 0.02493 0.00001 89 5D+2 0.00949 0.01104 -0.00001 -0.00002 -0.01536 90 5D-2 0.00828 -0.03362 -0.00004 -0.00002 0.05572 91 6 C 1S 0.02625 0.02088 -0.00007 -0.00003 -0.03401 92 2S 0.04244 0.03377 -0.00011 -0.00004 -0.06772 93 2PX -0.00858 0.04618 -0.00002 0.00003 0.03995 94 2PY 0.06939 -0.07148 0.00007 -0.00009 0.01670 95 2PZ -0.00001 0.00005 -0.05948 -0.10590 -0.00007 96 3S -0.04517 -0.03636 -0.00004 -0.00016 0.53056 97 3PX 0.02907 0.18207 -0.00043 -0.00009 0.17376 98 3PY 0.23091 -0.19659 0.00010 -0.00050 0.07274 99 3PZ -0.00005 0.00009 -0.24946 -0.44416 -0.00036 100 4S -0.97648 -0.76164 0.00368 0.00281 -0.45898 101 4PX -0.18797 -0.19254 0.00106 0.00034 -0.11483 102 4PY -0.14282 0.01008 0.00097 0.00091 -0.04819 103 4PZ 0.00023 0.00027 0.31824 0.56694 0.00050 104 5D 0 -0.02241 -0.01784 0.00013 0.00004 -0.03156 105 5D+1 0.00002 -0.00001 -0.01432 -0.04982 -0.00003 106 5D-1 -0.00004 -0.00006 -0.03514 -0.00445 -0.00014 107 5D+2 -0.01449 -0.02203 0.00010 0.00007 -0.04064 108 5D-2 -0.02494 -0.00959 0.00010 0.00002 -0.04118 109 7 H 1S -0.07131 0.02778 0.00010 0.00010 -0.02598 110 2S -0.74198 0.28806 0.00114 0.00067 0.02600 111 3S 0.43213 -0.16784 -0.00109 -0.00091 0.17926 112 4PX 0.00244 0.00936 -0.00001 0.00001 0.00446 113 4PY -0.00862 0.00194 0.00001 -0.00002 0.03491 114 4PZ 0.00000 -0.00002 -0.00890 0.01504 -0.00001 115 8 H 1S 0.01163 -0.07553 -0.00001 -0.00009 -0.02609 116 2S 0.11885 -0.78696 -0.00151 -0.00094 0.02536 117 3S -0.07132 0.45643 0.00057 0.00093 0.18029 118 4PX -0.00678 0.00609 0.00012 0.00001 -0.02799 119 4PY -0.00690 -0.00648 -0.00009 -0.00003 0.02135 120 4PZ 0.00001 0.00004 -0.01748 -0.00022 -0.00010 121 9 H 1S 0.05936 0.04780 0.00017 0.00017 -0.02597 122 2S 0.61923 0.49759 0.00165 0.00158 0.02616 123 3S -0.35610 -0.28935 -0.00170 -0.00159 0.17911 124 4PX -0.00869 -0.00216 0.00000 0.00001 -0.03246 125 4PY 0.00295 -0.00911 0.00001 0.00000 -0.01361 126 4PZ 0.00000 0.00000 -0.00857 -0.01523 -0.00002 127 10 H 1S -0.07090 0.02776 -0.00019 -0.00003 -0.02599 128 2S -0.73931 0.29008 -0.00156 -0.00086 0.02630 129 3S 0.42563 -0.16733 0.00183 0.00042 0.17953 130 4PX -0.00245 -0.00937 0.00000 0.00002 -0.00450 131 4PY 0.00858 -0.00209 0.00002 0.00005 -0.03492 132 4PZ 0.00001 0.00001 0.00892 -0.01502 -0.00001 133 11 H 1S 0.01139 -0.07535 0.00026 0.00007 -0.02604 134 2S 0.12118 -0.78516 0.00199 0.00068 0.02555 135 3S -0.06734 0.45408 -0.00238 -0.00072 0.17971 136 4PX 0.00698 -0.00602 -0.00003 0.00000 0.02800 137 4PY 0.00674 0.00644 0.00004 0.00001 -0.02131 138 4PZ -0.00002 0.00001 0.01748 0.00019 0.00004 139 12 H 1S 0.05980 0.04763 -0.00014 -0.00007 -0.02602 140 2S 0.62218 0.49622 -0.00155 -0.00101 0.02589 141 3S -0.36284 -0.28651 0.00154 0.00098 0.17976 142 4PX 0.00872 0.00214 -0.00005 -0.00006 0.03249 143 4PY -0.00292 0.00911 -0.00003 0.00000 0.01357 144 4PZ 0.00001 0.00001 0.00855 0.01524 0.00004 46 47 48 49 50 V V V V V Eigenvalues -- 0.52447 0.52450 0.53335 0.59823 0.59827 1 1 C 1S 0.00000 0.00000 0.00000 -0.01247 -0.03743 2 2S 0.00000 -0.00001 0.00000 -0.02444 -0.07345 3 2PX 0.00042 -0.00018 0.12940 0.05028 -0.03001 4 2PY -0.00014 0.00001 -0.01652 -0.03324 -0.08426 5 2PZ -0.13611 0.05358 0.00050 0.00055 -0.00015 6 3S -0.00003 -0.00005 0.00009 0.19113 0.57602 7 3PX 0.00047 -0.00032 0.13334 0.28547 -0.14514 8 3PY -0.00040 -0.00016 -0.01698 -0.14283 -0.32185 9 3PZ -0.50071 0.19709 0.00187 0.00194 -0.00052 10 4S -0.00092 -0.00356 -0.00461 -0.10679 -0.27274 11 4PX 0.01484 -0.00630 4.69309 -0.98362 0.46687 12 4PY -0.00225 -0.00236 -0.60280 0.41449 0.89000 13 4PZ 1.09597 -0.43158 -0.00358 -0.00663 0.00197 14 5D 0 0.00001 0.00003 0.00000 -0.00441 -0.01481 15 5D+1 -0.01509 -0.03426 0.00005 0.00000 0.00005 16 5D-1 -0.00876 0.00859 0.00004 -0.00009 0.00006 17 5D+2 -0.00005 -0.00003 -0.01046 0.02681 0.07480 18 5D-2 -0.00013 0.00003 -0.04020 0.00307 -0.02185 19 2 C 1S 0.00001 0.00000 -0.00002 -0.03863 -0.00795 20 2S 0.00002 0.00001 -0.00003 -0.07581 -0.01558 21 2PX 0.00026 0.00004 0.07915 0.07901 -0.02112 22 2PY 0.00031 -0.00024 0.10366 -0.04435 -0.05443 23 2PZ 0.02154 -0.14470 -0.00025 -0.00042 0.00021 24 3S -0.00015 -0.00026 0.00006 0.59440 0.12183 25 3PX 0.00018 0.00042 0.08159 0.31678 -0.13714 26 3PY 0.00028 -0.00056 0.10670 -0.15720 -0.28742 27 3PZ 0.07921 -0.53228 -0.00097 -0.00145 0.00074 28 4S 0.00167 0.00325 0.00597 -0.28530 -0.07518 29 4PX 0.00891 -0.00804 2.86638 -0.90563 0.50647 30 4PY 0.01278 -0.00191 3.76581 0.40518 0.95012 31 4PZ -0.17349 1.16520 0.00258 0.00540 -0.00259 32 5D 0 -0.00001 0.00002 -0.00002 -0.01519 -0.00264 33 5D+1 0.02127 0.01236 -0.00007 -0.00009 -0.00002 34 5D-1 0.03068 -0.00237 -0.00014 0.00008 -0.00004 35 5D+2 0.00012 -0.00008 0.04002 -0.02227 0.00529 36 5D-2 0.00002 0.00006 0.01101 0.07709 0.01786 37 3 C 1S 0.00001 0.00000 0.00001 -0.02617 0.02951 38 2S 0.00001 0.00001 0.00001 -0.05138 0.05790 39 2PX -0.00029 -0.00001 -0.05049 0.07483 -0.04712 40 2PY 0.00038 -0.00015 0.12028 -0.01598 -0.06039 41 2PZ 0.11448 0.09111 -0.00029 0.00061 -0.00025 42 3S -0.00005 -0.00008 0.00032 0.40322 -0.45367 43 3PX -0.00052 -0.00013 -0.05232 0.31491 -0.15910 44 3PY 0.00034 0.00007 0.12386 -0.12839 -0.29421 45 3PZ 0.42111 0.33514 -0.00094 0.00221 -0.00085 46 4S -0.00206 -0.00354 -0.01325 -0.17694 0.23022 47 4PX -0.00394 0.00578 -1.82063 -0.94203 0.38628 48 4PY 0.01467 -0.00540 4.36451 0.49214 0.93822 49 4PZ -0.92195 -0.73349 0.00001 -0.00740 0.00269 50 5D 0 0.00004 0.00002 0.00000 -0.01076 0.01123 51 5D+1 0.00082 -0.01794 -0.00008 0.00006 -0.00002 52 5D-1 -0.02506 0.02450 0.00020 0.00001 0.00006 53 5D+2 -0.00008 0.00009 -0.02958 -0.04348 0.03759 54 5D-2 0.00014 -0.00004 0.02916 -0.03443 0.04827 55 4 C 1S 0.00000 0.00002 -0.00001 0.01242 0.03744 56 2S 0.00000 0.00004 -0.00001 0.02440 0.07346 57 2PX -0.00030 0.00014 -0.12933 0.05071 -0.02809 58 2PY 0.00007 0.00006 0.01677 -0.03790 -0.08332 59 2PZ -0.13610 0.05370 0.00038 -0.00049 0.00017 60 3S -0.00012 -0.00031 -0.00011 -0.19166 -0.57590 61 3PX -0.00004 0.00010 -0.13316 0.28648 -0.14000 62 3PY 0.00008 0.00012 0.01750 -0.15572 -0.31917 63 3PZ -0.50065 0.19754 0.00176 -0.00165 0.00058 64 4S 0.00169 0.00321 0.01033 0.07393 0.28145 65 4PX -0.01601 0.00662 -4.69018 -0.98405 0.45141 66 4PY 0.00012 -0.00265 0.59734 0.46657 0.87815 67 4PZ 1.09598 -0.43227 -0.00824 0.00584 -0.00210 68 5D 0 0.00001 0.00004 -0.00002 0.00539 0.01457 69 5D+1 0.01503 0.03426 0.00003 -0.00002 -0.00007 70 5D-1 0.00876 -0.00861 -0.00009 -0.00006 0.00004 71 5D+2 -0.00002 -0.00002 -0.01047 -0.02791 -0.07406 72 5D-2 -0.00014 0.00008 -0.04019 -0.00186 0.02338 73 5 C 1S 0.00000 0.00001 0.00001 0.03862 0.00792 74 2S -0.00001 0.00001 0.00002 0.07580 0.01557 75 2PX -0.00028 0.00019 -0.07894 0.07754 -0.01791 76 2PY -0.00029 0.00003 -0.10381 -0.04581 -0.05752 77 2PZ 0.02168 -0.14469 -0.00021 0.00063 -0.00015 78 3S 0.00000 -0.00013 -0.00016 -0.59441 -0.12244 79 3PX -0.00042 0.00037 -0.08127 0.31279 -0.12816 80 3PY -0.00017 -0.00021 -0.10692 -0.16113 -0.29592 81 3PZ 0.07975 -0.53223 -0.00093 0.00222 -0.00049 82 4S -0.00184 -0.00215 -0.00346 0.28793 0.04315 83 4PX -0.01019 0.00198 -2.86884 -0.89333 0.46848 84 4PY -0.01110 0.00692 -3.76223 0.41535 0.98334 85 4PZ -0.17446 1.16514 0.00357 -0.00751 0.00171 86 5D 0 0.00004 0.00002 0.00002 0.01514 0.00358 87 5D+1 -0.02125 -0.01231 0.00007 -0.00001 0.00002 88 5D-1 -0.03070 0.00242 0.00015 0.00004 -0.00006 89 5D+2 0.00015 -0.00004 0.04002 0.02410 -0.00450 90 5D-2 0.00002 -0.00007 0.01099 -0.07651 -0.01900 91 6 C 1S 0.00001 0.00002 0.00001 0.02622 -0.02947 92 2S 0.00002 0.00004 0.00002 0.05143 -0.05786 93 2PX 0.00014 -0.00012 0.05027 0.07043 -0.04958 94 2PY -0.00028 0.00019 -0.12039 -0.01654 -0.06286 95 2PZ 0.11453 0.09102 -0.00013 -0.00050 0.00022 96 3S -0.00014 -0.00030 -0.00024 -0.40273 0.45397 97 3PX 0.00004 -0.00016 0.05175 0.30286 -0.16601 98 3PY 0.00001 0.00022 -0.12410 -0.13017 -0.30088 99 3PZ 0.42130 0.33483 -0.00079 -0.00171 0.00084 100 4S 0.00163 0.00319 0.00483 0.20717 -0.20697 101 4PX 0.00728 -0.00024 1.82665 -0.89446 0.41619 102 4PY -0.01414 0.00633 -4.36471 0.50258 0.96138 103 4PZ -0.92207 -0.73310 0.00566 0.00596 -0.00284 104 5D 0 -0.00003 0.00003 0.00001 0.00983 -0.01191 105 5D+1 -0.00083 0.01791 0.00000 0.00002 0.00001 106 5D-1 0.02511 -0.02448 -0.00014 0.00009 -0.00003 107 5D+2 -0.00013 0.00006 -0.02955 0.04334 -0.03914 108 5D-2 0.00008 -0.00003 0.02920 0.03275 -0.04809 109 7 H 1S -0.00002 -0.00004 0.00003 -0.00898 -0.02896 110 2S -0.00044 -0.00118 0.00024 0.01071 0.03005 111 3S 0.00003 -0.00014 -0.00031 0.31947 1.01317 112 4PX 0.00004 -0.00003 0.01985 -0.01618 0.01317 113 4PY -0.00001 -0.00005 -0.00255 0.01943 0.05262 114 4PZ 0.01221 -0.00481 -0.00007 -0.00006 0.00000 115 8 H 1S -0.00001 0.00000 -0.00009 -0.02976 -0.00553 116 2S -0.00001 0.00106 -0.00005 0.03087 0.00700 117 3S 0.00009 0.00089 0.00090 1.04218 0.19823 118 4PX 0.00001 -0.00007 0.01211 -0.04661 0.00305 119 4PY 0.00002 0.00002 0.01596 0.03029 0.02177 120 4PZ -0.00193 0.01298 0.00004 -0.00002 -0.00005 121 9 H 1S 0.00003 0.00000 0.00007 -0.02071 0.02227 122 2S -0.00007 -0.00078 0.00060 0.02068 -0.02414 123 3S -0.00050 -0.00045 -0.00148 0.72110 -0.78337 124 4PX 0.00001 0.00006 -0.00772 -0.04091 0.03364 125 4PY 0.00006 -0.00001 0.01847 -0.00109 0.02805 126 4PZ -0.01028 -0.00817 0.00003 -0.00008 0.00004 127 10 H 1S -0.00002 -0.00001 -0.00009 0.01017 0.02866 128 2S 0.00034 0.00008 -0.00007 -0.00948 -0.03023 129 3S 0.00058 0.00018 0.00137 -0.35170 -1.00467 130 4PX -0.00007 0.00000 -0.01987 -0.01620 0.01277 131 4PY -0.00002 -0.00001 0.00251 0.02071 0.05234 132 4PZ 0.01221 -0.00483 -0.00009 0.00007 -0.00001 133 11 H 1S -0.00002 0.00000 0.00008 0.02968 0.00668 134 2S -0.00065 -0.00040 -0.00018 -0.03104 -0.00584 135 3S -0.00003 -0.00034 -0.00071 -1.03988 -0.22959 136 4PX -0.00005 -0.00002 -0.01219 -0.04630 0.00213 137 4PY -0.00003 0.00004 -0.01590 0.03057 0.02259 138 4PZ -0.00196 0.01299 0.00004 -0.00011 0.00000 139 12 H 1S 0.00003 0.00001 -0.00001 0.01960 -0.02311 140 2S 0.00052 0.00047 -0.00010 -0.02171 0.02336 141 3S -0.00004 0.00018 0.00018 -0.69116 0.80626 142 4PX 0.00003 0.00000 0.00772 -0.03973 0.03437 143 4PY -0.00005 0.00003 -0.01847 -0.00084 0.02863 144 4PZ -0.01028 -0.00817 0.00005 0.00006 -0.00003 51 52 53 54 55 V V V V V Eigenvalues -- 0.60209 0.60213 0.60215 0.65197 0.68294 1 1 C 1S 0.00174 -0.00111 0.00034 0.00460 0.02507 2 2S 0.00121 -0.00144 0.00050 0.00807 0.05244 3 2PX 0.00289 0.07513 -0.03066 -0.01693 0.01263 4 2PY -0.17862 0.04833 -0.00903 -0.13229 0.09848 5 2PZ 0.00597 0.04123 0.10294 0.00008 -0.00004 6 3S 0.03392 -0.00300 -0.00062 -0.01987 -0.43693 7 3PX 0.00899 0.20610 -0.08521 -0.03675 0.03958 8 3PY -0.49927 0.13429 -0.02487 -0.28603 0.30910 9 3PZ 0.02099 0.14556 0.36346 0.00029 -0.00011 10 4S 1.18528 -0.40209 0.08735 4.53680 1.00687 11 4PX 0.06869 -0.56355 0.22851 0.60777 -0.08261 12 4PY 2.03159 -0.59411 0.11553 4.72858 -0.64420 13 4PZ -0.07366 -0.50986 -1.27492 -0.00347 0.00009 14 5D 0 -0.03697 0.01209 -0.00268 -0.03218 -0.00657 15 5D+1 -0.00004 -0.00056 -0.00144 0.00006 -0.00002 16 5D-1 -0.00068 -0.00456 -0.01122 0.00016 0.00001 17 5D+2 0.04740 -0.03154 0.00989 0.04107 -0.04193 18 5D-2 -0.03459 -0.05339 0.02330 -0.01073 0.01089 19 2 C 1S -0.00095 0.00178 -0.00050 -0.00458 0.02508 20 2S -0.00140 0.00138 -0.00015 -0.00805 0.05246 21 2PX -0.07487 0.12743 -0.04704 -0.10604 -0.07895 22 2PY -0.03949 -0.11420 0.04793 0.08077 0.06020 23 2PZ -0.00588 -0.04104 -0.10303 -0.00032 -0.00012 24 3S 0.00203 0.03113 -0.01547 0.01971 -0.43715 25 3PX -0.20588 0.35520 -0.13175 -0.22930 -0.24783 26 3PY -0.10811 -0.32005 0.13401 0.17459 0.18891 27 3PZ -0.02079 -0.14492 -0.36378 -0.00112 -0.00036 28 4S -0.25526 1.14740 -0.43779 -4.53669 1.00677 29 4PX 0.65310 -1.49336 0.55981 3.79238 0.51626 30 4PY 0.18305 1.26593 -0.51210 -2.88760 -0.39415 31 4PZ 0.07286 0.50838 1.27561 0.00518 0.00093 32 5D 0 0.00751 -0.03565 0.01392 0.03218 -0.00660 33 5D+1 -0.00052 -0.00363 -0.00899 -0.00010 0.00001 34 5D-1 0.00031 0.00275 0.00688 0.00007 -0.00001 35 5D+2 -0.06166 -0.02465 0.01347 0.01122 0.01147 36 5D-2 -0.02759 0.04770 -0.01783 -0.04093 -0.04175 37 3 C 1S -0.00189 -0.00086 0.00063 0.00459 0.02507 38 2S -0.00196 -0.00029 0.00058 0.00805 0.05245 39 2PX -0.14788 -0.08229 0.04074 0.12297 -0.09158 40 2PY -0.00618 -0.09517 0.03846 0.05139 -0.03830 41 2PZ 0.00572 0.04114 0.10296 0.00008 -0.00004 42 3S -0.01893 -0.02538 0.00841 -0.01984 -0.43698 43 3PX -0.41063 -0.23088 0.11355 0.26591 -0.28747 44 3PY -0.02042 -0.26497 0.10759 0.11100 -0.12012 45 3PZ 0.02028 0.14527 0.36351 0.00021 -0.00012 46 4S -0.94520 -0.75096 0.34801 4.53509 1.00754 47 4PX 1.60660 1.03658 -0.49430 -4.39771 0.59904 48 4PY 0.27902 0.86756 -0.36261 -1.83644 0.25009 49 4PZ -0.07110 -0.50903 -1.27501 -0.00448 0.00017 50 5D 0 0.02908 0.02356 -0.01091 -0.03217 -0.00657 51 5D+1 0.00056 0.00423 0.01042 -0.00014 0.00000 52 5D-1 0.00030 0.00180 0.00437 -0.00012 0.00003 53 5D+2 -0.00254 0.05900 -0.02314 -0.02979 0.03040 54 5D-2 0.06175 -0.00889 0.00035 -0.03018 0.03083 55 4 C 1S 0.00217 -0.00018 -0.00005 -0.00461 0.02507 56 2S 0.00205 0.00037 -0.00026 -0.00810 0.05246 57 2PX -0.00171 -0.07588 0.03016 -0.01693 -0.01266 58 2PY 0.17767 -0.05035 0.01010 -0.13213 -0.09853 59 2PZ -0.00589 -0.04118 -0.10291 -0.00007 0.00001 60 3S 0.02733 -0.01753 0.00525 0.02021 -0.43705 61 3PX -0.00190 -0.20972 0.08244 -0.03659 -0.03961 62 3PY 0.49510 -0.14186 0.02878 -0.28563 -0.30922 63 3PZ -0.02071 -0.14545 -0.36333 -0.00032 0.00004 64 4S 1.19285 -0.38604 0.09273 -4.53734 1.00635 65 4PX -0.08856 0.57374 -0.21940 0.60516 0.08304 66 4PY -2.02056 0.61143 -0.13510 4.72610 0.64601 67 4PZ 0.07293 0.50991 1.27435 -0.00014 0.00006 68 5D 0 -0.03685 0.01243 -0.00288 0.03218 -0.00657 69 5D+1 -0.00001 -0.00058 -0.00146 -0.00009 -0.00002 70 5D-1 -0.00068 -0.00446 -0.01125 -0.00013 -0.00004 71 5D+2 0.04653 -0.03330 0.01073 -0.04101 -0.04192 72 5D-2 -0.03467 -0.05285 0.02314 0.01071 0.01094 73 5 C 1S 0.00013 0.00198 -0.00097 0.00457 0.02508 74 2S 0.00073 0.00176 -0.00109 0.00802 0.05246 75 2PX 0.07707 -0.12789 0.04629 -0.10604 0.07893 76 2PY 0.03808 0.11289 -0.04721 0.08078 -0.06013 77 2PZ 0.00591 0.04102 0.10301 -0.00005 0.00007 78 3S -0.01492 0.02831 -0.00767 -0.01957 -0.43713 79 3PX 0.21426 -0.35836 0.12906 -0.22924 0.24777 80 3PY 0.10320 0.31308 -0.13082 0.17476 -0.18877 81 3PZ 0.02086 0.14493 0.36369 0.00009 0.00025 82 4S -0.24225 1.14610 -0.45077 4.53669 1.00868 83 4PX -0.67762 1.49945 -0.55851 3.79105 -0.51542 84 4PY -0.16881 -1.24331 0.50928 -2.88840 0.39203 85 4PZ -0.07293 -0.50806 -1.27551 0.00290 -0.00070 86 5D 0 0.00795 -0.03560 0.01371 -0.03218 -0.00661 87 5D+1 -0.00052 -0.00366 -0.00898 0.00014 0.00007 88 5D-1 0.00038 0.00275 0.00686 -0.00012 -0.00005 89 5D+2 -0.06103 -0.02481 0.01329 -0.01128 0.01151 90 5D-2 -0.02971 0.04722 -0.01689 0.04090 -0.04171 91 6 C 1S -0.00120 -0.00160 0.00054 -0.00460 0.02507 92 2S -0.00061 -0.00174 0.00040 -0.00807 0.05245 93 2PX 0.14957 0.08101 -0.04139 0.12302 0.09161 94 2PY 0.00573 0.09377 -0.03793 0.05138 0.03832 95 2PZ -0.00585 -0.04123 -0.10295 0.00004 0.00003 96 3S -0.02957 -0.01379 0.00992 0.01990 -0.43697 97 3PX 0.41817 0.22683 -0.11624 0.26592 0.28754 98 3PY 0.01669 0.25816 -0.10428 0.11115 0.12021 99 3PZ -0.02067 -0.14556 -0.36350 0.00022 0.00009 100 4S -0.93491 -0.75443 0.36042 -4.53565 1.00545 101 4PX -1.62683 -1.02193 0.50971 -4.39765 -0.60046 102 4PY -0.26861 -0.84706 0.35521 -1.83984 -0.25138 103 4PZ 0.07251 0.51031 1.27480 0.00005 -0.00007 104 5D 0 0.02930 0.02322 -0.01109 0.03217 -0.00656 105 5D+1 0.00053 0.00416 0.01047 0.00015 0.00002 106 5D-1 0.00031 0.00176 0.00435 0.00014 0.00003 107 5D+2 -0.00142 0.05806 -0.02347 0.02977 0.03045 108 5D-2 0.06253 -0.01011 0.00019 0.03023 0.03081 109 7 H 1S -0.04471 0.01442 -0.00322 -0.01828 -0.00160 110 2S -0.00328 0.00125 -0.00142 0.86075 -0.07597 111 3S 1.24922 -0.40118 0.08847 1.40794 -0.68759 112 4PX 0.00143 -0.01545 0.00620 0.01040 -0.00689 113 4PY 0.05193 -0.01454 0.00278 0.08096 -0.05382 114 4PZ -0.00095 -0.00655 -0.01647 -0.00016 0.00000 115 8 H 1S 0.00886 -0.04309 0.01684 0.01830 -0.00159 116 2S 0.00144 -0.00245 0.00191 -0.86060 -0.07596 117 3S -0.24585 1.20423 -0.47082 -1.40722 -0.68765 118 4PX 0.01706 -0.03794 0.01436 0.06491 0.04315 119 4PY 0.00603 0.03242 -0.01337 -0.04948 -0.03291 120 4PZ 0.00097 0.00653 0.01647 -0.00003 0.00009 121 9 H 1S 0.03497 0.02852 -0.01328 -0.01828 -0.00160 122 2S 0.00316 0.00111 -0.00208 0.86055 -0.07598 123 3S -0.97553 -0.79825 0.36877 1.40699 -0.68735 124 4PX 0.04092 0.02630 -0.01252 -0.07528 0.05005 125 4PY 0.00622 0.02309 -0.00952 -0.03147 0.02094 126 4PZ -0.00090 -0.00654 -0.01649 -0.00022 0.00001 127 10 H 1S -0.04440 0.01516 -0.00354 0.01826 -0.00158 128 2S -0.00385 0.00094 0.00077 -0.86018 -0.07637 129 3S 1.23906 -0.42438 0.10042 -1.40630 -0.68820 130 4PX -0.00186 0.01577 -0.00613 0.01038 0.00693 131 4PY -0.05128 0.01588 -0.00349 0.08087 0.05386 132 4PZ 0.00095 0.00663 0.01644 -0.00008 0.00000 133 11 H 1S 0.00978 -0.04292 0.01650 -0.01830 -0.00159 134 2S -0.00010 -0.00352 0.00058 0.86043 -0.07565 135 3S -0.27478 1.19818 -0.46001 1.40687 -0.68691 136 4PX -0.01846 0.03796 -0.01395 0.06491 -0.04316 137 4PY -0.00506 -0.03184 0.01295 -0.04947 0.03284 138 4PZ -0.00093 -0.00652 -0.01649 -0.00001 -0.00007 139 12 H 1S 0.03549 0.02794 -0.01332 0.01829 -0.00160 140 2S 0.00239 0.00269 -0.00042 -0.86081 -0.07627 141 3S -0.99239 -0.77853 0.37355 -1.40757 -0.68797 142 4PX -0.04199 -0.02536 0.01281 -0.07530 -0.05008 143 4PY -0.00621 -0.02235 0.00938 -0.03150 -0.02093 144 4PZ 0.00093 0.00661 0.01645 -0.00004 -0.00002 56 57 58 59 60 V V V V V Eigenvalues -- 0.72657 0.72665 0.73885 0.73887 0.79468 1 1 C 1S 0.01617 0.03451 0.05354 -0.01119 -0.03739 2 2S 0.03095 0.06606 0.10274 -0.02148 -0.06772 3 2PX 0.15246 -0.06965 0.01197 0.06877 0.01830 4 2PY -0.00861 0.03177 -0.02954 -0.00272 0.13932 5 2PZ 0.00008 -0.00005 0.00003 0.00000 -0.00009 6 3S -0.23722 -0.50799 -0.87312 0.18289 0.38475 7 3PX 0.40063 -0.17836 0.04960 0.19043 0.03611 8 3PY -0.00870 0.11359 0.04161 -0.03378 0.27124 9 3PZ 0.00023 -0.00014 0.00004 0.00008 -0.00012 10 4S 2.22868 4.71943 4.06411 -0.83429 2.50039 11 4PX -4.03240 1.82072 -0.54746 -1.37297 0.38910 12 4PY 0.17228 -0.97801 -1.64722 0.53553 3.20762 13 4PZ -0.00200 0.00093 0.00040 -0.00176 -0.00228 14 5D 0 -0.01787 -0.03827 -0.07674 0.01599 0.05019 15 5D+1 0.00011 0.00009 0.00003 0.00008 0.00012 16 5D-1 0.00003 -0.00005 -0.00005 0.00020 0.00052 17 5D+2 -0.01051 0.03324 0.00404 -0.02304 0.02971 18 5D-2 -0.08513 0.03376 -0.02029 -0.08152 -0.00789 19 2 C 1S 0.03808 0.00270 -0.01670 0.05205 0.03738 20 2S 0.07290 0.00516 -0.03206 0.09987 0.06770 21 2PX -0.01182 -0.10368 -0.04741 0.00789 0.11197 22 2PY 0.02590 -0.13274 -0.04757 -0.03437 -0.08476 23 2PZ -0.00014 0.00001 0.00005 -0.00014 -0.00013 24 3S -0.56048 -0.03910 0.27297 -0.84862 -0.38451 25 3PX -0.05776 -0.27298 -0.10231 -0.07500 0.21810 26 3PY 0.08817 -0.34603 -0.15780 -0.02237 -0.16448 27 3PZ -0.00040 0.00004 0.00016 -0.00044 -0.00050 28 4S 5.21283 0.38912 -1.25112 3.94604 -2.49805 29 4PX 0.43026 2.73751 0.41851 1.60582 2.55858 30 4PY -0.77326 3.50625 1.42459 -0.62761 -1.97602 31 4PZ 0.00296 -0.00011 -0.00108 0.00345 0.00370 32 5D 0 -0.04219 -0.00297 0.02387 -0.07462 -0.05022 33 5D+1 -0.00004 -0.00001 -0.00002 -0.00011 -0.00051 34 5D-1 -0.00001 -0.00010 0.00000 0.00009 0.00033 35 5D+2 0.00050 -0.09125 -0.07866 -0.02873 0.00831 36 5D-2 0.02729 -0.02294 -0.02438 0.00121 -0.02956 37 3 C 1S 0.02185 -0.03126 -0.03648 -0.04077 -0.03735 38 2S 0.04184 -0.05984 -0.07000 -0.07823 -0.06764 39 2PX 0.04077 0.05594 -0.03759 -0.00112 -0.12968 40 2PY -0.13426 -0.08000 0.04013 -0.05210 -0.05387 41 2PZ 0.00011 0.00002 -0.00005 -0.00002 -0.00015 42 3S -0.32227 0.45965 0.59509 0.66463 0.38404 43 3PX 0.08858 0.17178 -0.02685 0.08521 -0.25257 44 3PY -0.35888 -0.19868 0.14634 -0.10961 -0.10463 45 3PZ 0.00034 0.00001 -0.00009 0.00007 -0.00028 46 4S 2.97143 -4.29612 -2.74872 -3.09670 2.50224 47 4PX -0.98729 -1.58326 -0.65979 -1.58145 -2.97353 48 4PY 3.58151 2.06901 -1.43776 0.41890 -1.26255 49 4PZ -0.00299 -0.00034 0.00025 -0.00162 -0.00291 50 5D 0 -0.02422 0.03464 0.05218 0.05845 0.05010 51 5D+1 0.00001 0.00002 -0.00016 -0.00020 -0.00062 52 5D-1 -0.00006 0.00009 0.00006 -0.00011 -0.00026 53 5D+2 0.04524 0.05310 -0.04135 0.04648 -0.02161 54 5D-2 -0.06537 -0.02191 0.04914 -0.03609 -0.02188 55 4 C 1S -0.01675 -0.03433 0.05344 -0.01152 0.03733 56 2S -0.03208 -0.06572 0.10255 -0.02210 0.06760 57 2PX 0.15276 -0.06910 -0.01005 -0.06920 0.01745 58 2PY -0.00873 0.03172 0.02950 0.00298 0.13931 59 2PZ 0.00008 0.00000 -0.00008 -0.00002 -0.00013 60 3S 0.24731 0.50499 -0.87163 0.18743 -0.38375 61 3PX 0.40162 -0.17693 -0.04462 -0.19145 0.03357 62 3PY -0.00785 0.11313 -0.04153 0.03531 0.27131 63 3PZ 0.00018 -0.00002 -0.00018 -0.00006 -0.00034 64 4S -2.27087 -4.70620 4.03684 -0.88571 -2.50597 65 4PX -4.04351 1.80782 0.49775 1.38196 0.43074 66 4PY 0.15233 -0.96988 1.65393 -0.54727 3.20087 67 4PZ -0.00241 0.00066 0.00053 0.00088 -0.00010 68 5D 0 0.01859 0.03805 -0.07651 0.01658 -0.05003 69 5D+1 -0.00005 0.00004 0.00010 -0.00003 -0.00010 70 5D-1 -0.00001 0.00003 -0.00013 -0.00017 -0.00051 71 5D+2 0.01064 -0.03313 0.00416 -0.02347 -0.02980 72 5D-2 0.08541 -0.03313 -0.01904 -0.08171 0.00769 73 5 C 1S -0.03798 -0.00322 -0.01712 0.05197 -0.03736 74 2S -0.07271 -0.00618 -0.03284 0.09974 -0.06766 75 2PX -0.01220 -0.10368 0.04751 -0.00898 0.11137 76 2PY 0.02545 -0.13292 0.04794 0.03305 -0.08548 77 2PZ 0.00003 0.00002 -0.00001 -0.00004 0.00015 78 3S 0.55895 0.04810 0.27862 -0.84767 0.38413 79 3PX -0.05862 -0.27380 0.10175 0.07202 0.21623 80 3PY 0.08693 -0.34591 0.15939 0.01912 -0.16662 81 3PZ 0.00010 0.00003 -0.00004 0.00005 0.00040 82 4S -5.20572 -0.42806 -1.30837 3.93008 2.50069 83 4PX 0.43577 2.75437 -0.41055 -1.57707 2.58543 84 4PY -0.75965 3.49726 -1.44086 0.66043 -1.94024 85 4PZ -0.00031 -0.00048 0.00006 -0.00132 0.00197 86 5D 0 0.04204 0.00363 0.02456 -0.07443 0.05017 87 5D+1 -0.00001 -0.00004 0.00001 0.00016 0.00022 88 5D-1 -0.00003 0.00005 -0.00008 -0.00020 -0.00010 89 5D+2 0.00025 0.09138 -0.07879 -0.02762 -0.00795 90 5D-2 -0.02710 0.02305 -0.02483 0.00141 0.02967 91 6 C 1S -0.02136 0.03163 -0.03669 -0.04053 0.03738 92 2S -0.04088 0.06055 -0.07041 -0.07777 0.06771 93 2PX 0.04054 0.05610 0.03793 0.00176 -0.12944 94 2PY -0.13379 -0.08045 -0.04167 0.05100 -0.05461 95 2PZ 0.00005 0.00010 0.00000 -0.00006 0.00006 96 3S 0.31365 -0.46582 0.59817 0.66113 -0.38466 97 3PX 0.08887 0.17285 0.02724 -0.08300 -0.25184 98 3PY -0.35714 -0.19962 -0.15056 0.10694 -0.10683 99 3PZ 0.00010 0.00028 0.00000 -0.00017 0.00020 100 4S -2.93614 4.32229 -2.79273 -3.05963 -2.49925 101 4PX -0.99856 -1.60025 0.64664 1.56259 -2.98983 102 4PY 3.56268 2.07466 1.47805 -0.39042 -1.22584 103 4PZ -0.00158 -0.00261 0.00007 0.00150 -0.00027 104 5D 0 0.02362 -0.03510 0.05262 0.05806 -0.05017 105 5D+1 -0.00002 -0.00007 -0.00001 0.00013 0.00025 106 5D-1 0.00008 -0.00001 0.00003 0.00018 0.00010 107 5D+2 -0.04480 -0.05343 -0.04182 0.04571 0.02150 108 5D-2 0.06504 0.02231 0.05006 -0.03570 0.02194 109 7 H 1S 0.00793 0.01672 0.00695 -0.00142 0.01005 110 2S -0.27242 -0.58544 -1.14427 0.23916 1.17903 111 3S -0.18805 -0.40549 -0.79839 0.16701 0.57452 112 4PX 0.01902 -0.02274 -0.01453 0.00052 0.00482 113 4PY -0.04400 -0.08565 -0.11063 0.02332 0.03696 114 4PZ -0.00004 0.00005 0.00004 -0.00016 -0.00030 115 8 H 1S 0.01849 0.00138 -0.00214 0.00672 -0.01008 116 2S -0.64441 -0.04376 0.35640 -1.11269 -1.17953 117 3S -0.44632 -0.02984 0.24913 -0.77597 -0.57499 118 4PX 0.07833 -0.01089 -0.02613 0.08662 0.02971 119 4PY -0.05707 -0.02568 0.02292 -0.06520 -0.02255 120 4PZ 0.00006 0.00002 -0.00001 -0.00003 -0.00042 121 9 H 1S 0.01054 -0.01522 -0.00469 -0.00528 0.01005 122 2S -0.37173 0.52827 0.77989 0.87131 1.17823 123 3S -0.25795 0.36520 0.54427 0.60757 0.57420 124 4PX 0.05989 -0.06754 -0.06926 -0.07899 -0.03435 125 4PY 0.00084 -0.04486 -0.03107 -0.03132 -0.01427 126 4PZ -0.00002 0.00001 -0.00006 -0.00017 -0.00039 127 10 H 1S -0.00806 -0.01667 0.00689 -0.00149 -0.01005 128 2S 0.28586 0.58144 -1.14261 0.24659 -1.17755 129 3S 0.19840 0.40228 -0.79721 0.17157 -0.57392 130 4PX 0.01881 -0.02271 0.01478 -0.00067 0.00463 131 4PY -0.04538 -0.08522 0.11026 -0.02419 0.03686 132 4PZ 0.00001 0.00003 -0.00007 -0.00004 -0.00028 133 11 H 1S -0.01848 -0.00151 -0.00223 0.00671 0.01008 134 2S 0.64215 0.05608 0.36630 -1.11045 1.17890 135 3S 0.44453 0.03917 0.25511 -0.77454 0.57474 136 4PX 0.07819 -0.00986 0.02701 -0.08658 0.02955 137 4PY -0.05689 -0.02643 -0.02355 0.06484 -0.02264 138 4PZ 0.00004 0.00005 -0.00003 -0.00017 -0.00016 139 12 H 1S -0.01043 0.01530 -0.00477 -0.00521 -0.01005 140 2S 0.36059 -0.53646 0.78413 0.86638 -1.17908 141 3S 0.24921 -0.37171 0.54709 0.60446 -0.57458 142 4PX 0.05882 -0.06832 0.06993 0.07847 -0.03437 143 4PY 0.00037 -0.04519 0.03109 0.03092 -0.01447 144 4PZ 0.00001 0.00001 -0.00001 -0.00005 -0.00006 61 62 63 64 65 V V V V V Eigenvalues -- 0.83902 0.85073 0.85079 0.93565 1.00273 1 1 C 1S -0.00009 0.03101 -0.01979 -0.00014 -0.02939 2 2S -0.00015 0.06496 -0.04146 -0.00029 -0.06320 3 2PX -0.17134 -0.04920 -0.07138 -0.00004 -0.00185 4 2PY 0.02237 -0.01497 0.02272 0.00020 -0.00781 5 2PZ -0.00003 0.00001 -0.00004 0.01608 0.00010 6 3S 0.00054 -0.58023 0.37042 0.00305 0.73920 7 3PX -0.46594 -0.04883 0.02133 -0.00412 0.29052 8 3PY 0.06047 -0.34703 0.22247 0.00028 0.07448 9 3PZ -0.00002 0.00016 -0.00011 0.04063 0.00044 10 4S 0.00784 -1.17763 0.74627 -0.02598 -4.09045 11 4PX 5.78045 -0.51821 -1.31877 -0.00691 -0.51618 12 4PY -0.73152 1.89812 -0.99922 -0.00594 -4.27869 13 4PZ 0.00055 -0.00096 -0.00040 -0.01519 0.00070 14 5D 0 0.00014 0.05263 -0.03351 0.00063 0.02191 15 5D+1 0.00005 -0.00030 0.00026 -0.03545 -0.00010 16 5D-1 0.00004 0.00031 0.00035 -0.27484 -0.00198 17 5D+2 0.01895 0.04076 -0.00611 -0.00009 -0.02032 18 5D-2 0.07237 0.02630 0.05970 -0.00083 0.06717 19 2 C 1S 0.00016 -0.00159 -0.03676 0.00050 -0.00893 20 2S 0.00030 -0.00333 -0.07702 0.00105 -0.01919 21 2PX -0.10442 -0.05366 -0.01772 -0.00011 0.00266 22 2PY -0.13785 -0.06870 0.01818 -0.00008 -0.00049 23 2PZ -0.00001 -0.00003 -0.00010 0.01607 0.00011 24 3S -0.00183 0.02984 0.68778 -0.01183 0.22440 25 3PX -0.28386 -0.01930 -0.33039 0.00119 -0.26882 26 3PY -0.37476 0.00478 0.25178 0.00182 -0.29712 27 3PZ -0.00006 -0.00006 -0.00061 0.04061 0.00025 28 4S -0.00877 0.06400 1.39612 0.08147 -1.24319 29 4PX 3.53692 -0.77506 1.75061 -0.04268 1.01244 30 4PY 4.63026 -1.17450 -1.25157 0.03002 -0.83107 31 4PZ 0.00057 0.00001 0.00309 -0.01522 0.00109 32 5D 0 -0.00010 -0.00285 -0.06235 -0.00058 0.00667 33 5D+1 -0.00007 -0.00009 -0.00053 0.22057 0.00145 34 5D-1 -0.00011 0.00051 0.00020 -0.16775 -0.00154 35 5D+2 -0.07225 -0.06373 0.01320 -0.00079 0.08566 36 5D-2 -0.01991 -0.01926 -0.03669 0.00065 0.01202 37 3 C 1S -0.00013 -0.03266 -0.01692 -0.00061 0.03829 38 2S -0.00023 -0.06842 -0.03547 -0.00128 0.08234 39 2PX 0.06626 -0.00499 -0.04028 -0.00017 -0.00950 40 2PY -0.15968 -0.04584 0.06666 -0.00005 -0.00428 41 2PZ 0.00007 -0.00006 -0.00008 0.01608 0.00017 42 3S 0.00104 0.61110 0.31708 0.01400 -0.96327 43 3PX 0.18068 -0.33887 -0.17921 -0.00239 0.08686 44 3PY -0.43345 -0.14579 -0.06820 0.00119 0.16674 45 3PZ 0.00018 -0.00028 -0.00015 0.04062 0.00041 46 4S -0.00293 1.23522 0.64443 -0.07301 5.32607 47 4PX -2.25657 2.01275 0.43572 0.05650 -5.18510 48 4PY 5.36474 0.14100 1.54278 0.02657 -2.15640 49 4PZ -0.00237 0.00087 -0.00057 -0.01518 -0.00399 50 5D 0 0.00031 -0.05531 -0.02893 0.00094 -0.02849 51 5D+1 0.00001 -0.00030 -0.00052 0.25577 0.00213 52 5D-1 0.00008 -0.00049 -0.00001 0.10660 0.00088 53 5D+2 0.05329 0.04629 -0.02933 0.00051 -0.01518 54 5D-2 -0.05263 0.00289 0.05407 0.00007 -0.05198 55 4 C 1S 0.00014 -0.03104 0.01974 0.00016 -0.02937 56 2S 0.00026 -0.06503 0.04136 0.00033 -0.06317 57 2PX 0.17152 -0.04916 -0.07088 -0.00022 0.00175 58 2PY -0.02151 -0.01504 0.02255 0.00016 0.00782 59 2PZ 0.00014 -0.00009 -0.00007 0.01608 0.00005 60 3S -0.00136 0.58079 -0.36967 -0.00348 0.73903 61 3PX 0.46576 -0.04857 0.02277 0.00411 -0.29026 62 3PY -0.05897 -0.34720 0.22226 -0.00082 -0.07455 63 3PZ 0.00043 -0.00007 -0.00003 0.04059 -0.00002 64 4S -0.00070 1.17385 -0.75058 0.02787 -4.08473 65 4PX -5.76961 -0.51887 -1.33185 -0.00440 0.51936 66 4PY 0.75048 1.89794 -0.99990 -0.00795 4.27590 67 4PZ -0.00512 -0.00057 -0.00102 -0.01511 -0.00091 68 5D 0 -0.00025 -0.05257 0.03369 -0.00050 0.02186 69 5D+1 0.00005 -0.00025 0.00010 0.03494 -0.00014 70 5D-1 0.00002 -0.00056 -0.00043 0.27490 0.00185 71 5D+2 0.01885 -0.04086 0.00610 -0.00028 -0.02031 72 5D-2 0.07247 -0.02646 -0.05936 -0.00128 0.06692 73 5 C 1S -0.00015 0.00165 0.03676 0.00028 -0.00890 74 2S -0.00028 0.00346 0.07701 0.00062 -0.01914 75 2PX 0.10518 -0.05366 -0.01757 0.00014 -0.00266 76 2PY 0.13729 -0.06851 0.01840 -0.00015 0.00051 77 2PZ -0.00005 0.00001 -0.00005 0.01607 0.00009 78 3S 0.00168 -0.03086 -0.68783 -0.00707 0.22399 79 3PX 0.28587 -0.01918 -0.33015 -0.00281 0.26860 80 3PY 0.37305 0.00521 0.25231 -0.00049 0.29722 81 3PZ -0.00016 -0.00002 -0.00037 0.04062 0.00029 82 4S 0.01073 -0.05724 -1.39547 0.01984 -1.23741 83 4PX -3.52389 -0.77749 1.74708 0.03343 -1.01137 84 4PY -4.63661 -1.17673 -1.25812 -0.02982 0.82880 85 4PZ 0.00181 0.00013 0.00173 -0.01518 -0.00219 86 5D 0 0.00006 0.00267 0.06238 -0.00027 0.00663 87 5D+1 -0.00007 0.00044 0.00012 -0.22029 -0.00122 88 5D-1 -0.00010 0.00014 -0.00034 0.16810 0.00155 89 5D+2 -0.07230 0.06364 -0.01313 -0.00058 0.08559 90 5D-2 -0.01986 0.01934 0.03672 0.00015 0.01207 91 6 C 1S 0.00007 0.03263 0.01698 -0.00018 0.03830 92 2S 0.00011 0.06837 0.03557 -0.00039 0.08237 93 2PX -0.06702 -0.00503 -0.04057 -0.00034 0.00947 94 2PY 0.15930 -0.04557 0.06708 -0.00002 0.00438 95 2PZ -0.00013 0.00004 -0.00007 0.01608 0.00016 96 3S -0.00017 -0.61063 -0.31775 0.00501 -0.96345 97 3PX -0.18168 -0.33894 -0.17963 0.00099 -0.08660 98 3PY 0.43331 -0.14534 -0.06710 -0.00176 -0.16725 99 3PZ -0.00038 -0.00005 -0.00006 0.04062 0.00037 100 4S -0.00606 -1.23849 -0.64059 -0.02968 5.32943 101 4PX 2.23779 2.01561 0.43710 -0.03402 5.18811 102 4PY -5.37879 0.13580 1.53005 -0.01285 2.15358 103 4PZ 0.00457 0.00091 -0.00069 -0.01519 0.00068 104 5D 0 -0.00019 0.05537 0.02876 0.00024 -0.02853 105 5D+1 0.00002 0.00026 0.00029 -0.25557 -0.00199 106 5D-1 0.00006 -0.00017 0.00046 -0.10710 -0.00101 107 5D+2 0.05335 -0.04602 0.02950 0.00082 -0.01498 108 5D-2 -0.05248 -0.00310 -0.05437 -0.00021 -0.05224 109 7 H 1S 0.00003 0.05357 -0.03417 -0.00001 -0.04396 110 2S 0.00289 0.80067 -0.51004 0.00140 -1.00645 111 3S 0.00150 0.53321 -0.33977 0.00024 -0.86849 112 4PX -0.03559 -0.02467 -0.03091 -0.00016 0.00753 113 4PY 0.00460 -0.02467 0.02176 0.00024 0.03220 114 4PZ -0.00009 -0.00008 -0.00023 0.15751 0.00107 115 8 H 1S 0.00004 -0.00279 -0.06348 0.00027 -0.01337 116 2S -0.00190 -0.04255 -0.94783 0.00842 -0.30566 117 3S -0.00085 -0.02808 -0.63139 0.00731 -0.26383 118 4PX -0.02171 -0.02512 -0.02502 0.00020 -0.01088 119 4PY -0.02860 -0.03063 0.02117 -0.00025 0.00220 120 4PZ 0.00004 -0.00022 -0.00046 0.15751 0.00118 121 9 H 1S 0.00008 -0.05637 -0.02933 -0.00063 0.05727 122 2S 0.00492 -0.84168 -0.43939 -0.01267 1.31172 123 3S 0.00264 -0.56076 -0.29245 -0.01075 1.13173 124 4PX 0.01375 -0.01979 -0.02744 -0.00068 0.03895 125 4PY -0.03319 -0.02810 0.02657 -0.00013 0.01791 126 4PZ 0.00005 -0.00034 -0.00030 0.15750 0.00150 127 10 H 1S -0.00005 -0.05358 0.03416 0.00000 -0.04392 128 2S -0.00404 -0.79987 0.51174 -0.00088 -1.00610 129 3S -0.00222 -0.53296 0.34052 -0.00007 -0.86802 130 4PX 0.03565 -0.02460 -0.03086 -0.00022 -0.00757 131 4PY -0.00448 -0.02473 0.02168 0.00022 -0.03218 132 4PZ -0.00005 -0.00034 -0.00023 0.15752 0.00088 133 11 H 1S -0.00004 0.00282 0.06348 0.00054 -0.01329 134 2S 0.00174 0.04103 0.94811 0.01416 -0.30535 135 3S 0.00081 0.02765 0.63158 0.01022 -0.26336 136 4PX 0.02180 -0.02516 -0.02491 -0.00033 0.01085 137 4PY 0.02853 -0.03056 0.02128 0.00019 -0.00216 138 4PZ 0.00003 -0.00014 -0.00026 0.15750 0.00105 139 12 H 1S -0.00007 0.05637 0.02931 -0.00024 0.05729 140 2S -0.00353 0.84250 0.43737 -0.01012 1.31205 141 3S -0.00198 0.56111 0.29138 -0.00744 1.13214 142 4PX -0.01387 -0.01976 -0.02755 0.00003 -0.03898 143 4PY 0.03311 -0.02807 0.02661 0.00019 -0.01788 144 4PZ 0.00001 -0.00010 -0.00025 0.15750 0.00143 66 67 68 69 70 V V V V V Eigenvalues -- 1.00280 1.01377 1.07963 1.07965 1.14083 1 1 C 1S -0.02726 0.00003 -0.00013 -0.00005 0.00011 2 2S -0.05862 0.00006 -0.00027 -0.00011 0.00025 3 2PX -0.00005 0.00005 -0.00001 0.00001 0.00002 4 2PY -0.00750 -0.00003 -0.00001 0.00013 0.00001 5 2PZ 0.00003 0.00001 -0.04051 0.02790 -0.03144 6 3S 0.68578 -0.00059 0.00357 0.00158 -0.00337 7 3PX -0.28447 0.00007 -0.00024 0.00100 -0.00028 8 3PY 0.14009 -0.00059 -0.00039 -0.00107 0.00010 9 3PZ -0.00028 0.00012 -0.07725 0.05315 -0.05937 10 4S -3.78975 -0.00423 -0.04335 -0.03733 0.03864 11 4PX -0.54150 -0.00148 -0.00353 -0.00200 0.00168 12 4PY -3.96135 0.00291 -0.02244 -0.00780 0.02265 13 4PZ 0.00286 -0.00004 0.14127 -0.09721 0.11058 14 5D 0 0.02027 0.00024 0.00021 0.00064 -0.00024 15 5D+1 -0.00008 0.31841 0.01332 -0.06423 0.25570 16 5D-1 0.00120 -0.04101 0.30696 -0.20425 0.12080 17 5D+2 -0.04911 -0.00006 -0.00020 0.00030 -0.00010 18 5D-2 -0.05376 0.00014 -0.00012 0.00021 -0.00001 19 2 C 1S 0.03907 0.00002 0.00014 0.00001 -0.00008 20 2S 0.08402 0.00004 0.00030 0.00001 -0.00018 21 2PX -0.00827 0.00003 -0.00003 0.00002 0.00005 22 2PY 0.00662 0.00002 -0.00001 0.00000 0.00005 23 2PZ 0.00016 -0.00001 0.00386 0.04904 -0.01110 24 3S -0.98287 -0.00034 -0.00387 -0.00048 0.00232 25 3PX 0.06214 0.00034 -0.00029 -0.00085 0.00056 26 3PY -0.16166 -0.00005 -0.00002 0.00134 0.00026 27 3PZ 0.00064 0.00013 0.00744 0.09349 -0.02087 28 4S 5.43761 -0.00224 0.04324 0.03381 -0.03111 29 4PX -4.56294 -0.00428 -0.02019 -0.00114 0.01157 30 4PY 3.46753 -0.00298 0.01430 0.00067 -0.00967 31 4PZ -0.00569 -0.00007 -0.01363 -0.17091 0.03894 32 5D 0 -0.02912 0.00004 -0.00025 0.00010 0.00019 33 5D+1 -0.00051 -0.19448 -0.00445 0.29689 -0.24199 34 5D-1 0.00041 -0.25540 -0.05427 -0.22173 -0.22887 35 5D+2 0.00584 0.00005 -0.00013 -0.00019 -0.00002 36 5D-2 0.05206 0.00002 0.00016 0.00045 -0.00019 37 3 C 1S -0.01181 -0.00001 -0.00014 -0.00013 0.00004 38 2S -0.02540 -0.00003 -0.00029 -0.00028 0.00009 39 2PX 0.00344 -0.00002 -0.00006 -0.00008 0.00002 40 2PY 0.00018 0.00002 -0.00001 -0.00002 0.00006 41 2PZ -0.00009 -0.00001 0.04445 0.02114 0.04250 42 3S 0.29708 0.00025 0.00361 0.00367 -0.00128 43 3PX -0.19203 -0.00035 -0.00019 0.00112 -0.00052 44 3PY 0.34397 0.00014 0.00045 -0.00137 -0.00025 45 3PZ -0.00055 0.00019 0.08466 0.04040 0.08038 46 4S -1.64984 0.00223 -0.03828 -0.04890 0.02558 47 4PX 1.58178 0.00305 0.02013 0.01969 -0.00783 48 4PY 0.71019 -0.00451 0.00779 0.00946 -0.00462 49 4PZ 0.00200 -0.00006 -0.15480 -0.07380 -0.14959 50 5D 0 0.00882 -0.00032 0.00065 0.00062 -0.00005 51 5D+1 -0.00180 -0.12385 0.31737 0.13145 0.15508 52 5D-1 -0.00052 0.29626 0.11111 0.09996 0.16294 53 5D+2 0.07023 0.00004 -0.00020 -0.00029 -0.00011 54 5D-2 -0.04855 -0.00027 0.00002 0.00012 0.00001 55 4 C 1S -0.02726 -0.00004 0.00007 0.00027 -0.00006 56 2S -0.05863 -0.00008 0.00015 0.00058 -0.00014 57 2PX 0.00007 -0.00006 -0.00004 -0.00003 0.00002 58 2PY 0.00749 -0.00001 0.00002 -0.00004 -0.00002 59 2PZ -0.00033 0.00000 0.04056 -0.02789 -0.03142 60 3S 0.68580 0.00073 -0.00210 -0.00729 0.00180 61 3PX 0.28488 -0.00019 0.00015 -0.00115 0.00042 62 3PY -0.14022 -0.00057 -0.00071 0.00033 0.00030 63 3PZ -0.00063 0.00018 0.07722 -0.05322 -0.05948 64 4S -3.79657 0.00393 0.03514 0.06969 -0.02803 65 4PX 0.54668 0.00236 -0.00238 -0.00645 0.00288 66 4PY 3.96136 0.00323 -0.01319 -0.04625 0.01143 67 4PZ -0.00014 -0.00014 -0.14120 0.09731 0.11068 68 5D 0 0.02029 0.00031 -0.00049 -0.00036 0.00003 69 5D+1 -0.00041 0.31857 0.01296 -0.06431 -0.25561 70 5D-1 -0.00327 -0.04069 0.30710 -0.20427 -0.12073 71 5D+2 -0.04914 -0.00020 0.00002 0.00037 0.00006 72 5D-2 -0.05392 0.00019 -0.00028 0.00020 -0.00012 73 5 C 1S 0.03907 -0.00002 -0.00008 -0.00029 0.00010 74 2S 0.08400 -0.00004 -0.00016 -0.00063 0.00021 75 2PX 0.00825 -0.00004 0.00003 -0.00003 -0.00002 76 2PY -0.00662 -0.00007 -0.00005 0.00000 -0.00004 77 2PZ -0.00030 0.00002 -0.00393 -0.04906 -0.01106 78 3S -0.98278 0.00035 0.00220 0.00797 -0.00285 79 3PX -0.06196 0.00026 -0.00035 -0.00015 -0.00018 80 3PY 0.16197 -0.00016 0.00042 -0.00053 -0.00057 81 3PZ -0.00082 0.00013 -0.00744 -0.09354 -0.02099 82 4S 5.44027 0.00192 -0.03372 -0.07622 0.03523 83 4PX 4.56748 -0.00215 -0.01113 -0.04068 0.01603 84 4PY -3.46117 -0.00009 0.00704 0.03116 -0.01059 85 4PZ 0.00561 -0.00007 0.01354 0.17092 0.03896 86 5D 0 -0.02912 0.00008 0.00046 0.00113 -0.00027 87 5D+1 0.00272 -0.19480 -0.00434 0.29695 0.24177 88 5D-1 -0.00197 -0.25522 -0.05441 -0.22176 0.22896 89 5D+2 0.00604 0.00037 0.00013 -0.00005 -0.00042 90 5D-2 0.05213 0.00003 0.00009 0.00003 0.00000 91 6 C 1S -0.01182 0.00002 0.00013 0.00020 -0.00013 92 2S -0.02542 0.00004 0.00027 0.00042 -0.00028 93 2PX -0.00343 0.00002 0.00000 -0.00002 -0.00007 94 2PY -0.00018 -0.00008 -0.00006 0.00005 -0.00002 95 2PZ -0.00018 0.00002 -0.04442 -0.02115 0.04252 96 3S 0.29741 -0.00040 -0.00330 -0.00531 0.00373 97 3PX 0.19209 -0.00026 0.00027 -0.00045 -0.00013 98 3PY -0.34374 -0.00013 -0.00036 0.00161 0.00011 99 3PZ -0.00018 0.00013 -0.08468 -0.04027 0.08035 100 4S -1.64091 -0.00161 0.03631 0.05816 -0.04012 101 4PX -1.58187 0.00230 0.01836 0.03049 -0.02311 102 4PY -0.70838 -0.00047 0.00734 0.01329 -0.00838 103 4PZ 0.00011 -0.00012 0.15484 0.07367 -0.14958 104 5D 0 0.00878 -0.00035 -0.00011 -0.00040 0.00039 105 5D+1 0.00231 -0.12410 0.31715 0.13131 -0.15518 106 5D-1 0.00103 0.29608 0.11150 0.10002 -0.16293 107 5D+2 0.07014 -0.00022 -0.00022 -0.00050 0.00030 108 5D-2 -0.04850 -0.00011 -0.00004 0.00013 0.00013 109 7 H 1S -0.04076 0.00011 -0.00011 0.00008 0.00019 110 2S -0.93413 0.00132 -0.00210 0.00252 0.00258 111 3S -0.80587 0.00091 -0.00322 0.00040 0.00370 112 4PX 0.00025 -0.00006 0.00005 -0.00010 -0.00011 113 4PY 0.03073 -0.00005 0.00003 0.00006 -0.00023 114 4PZ -0.00055 0.00016 -0.23230 0.15994 -0.19238 115 8 H 1S 0.05845 0.00006 0.00017 -0.00020 -0.00009 116 2S 1.33835 0.00076 0.00293 -0.00397 -0.00109 117 3S 1.15494 0.00050 0.00376 -0.00193 -0.00205 118 4PX 0.03409 -0.00024 0.00004 -0.00030 -0.00022 119 4PY -0.02738 -0.00036 -0.00019 0.00026 -0.00027 120 4PZ 0.00018 0.00017 0.02224 0.28118 -0.06778 121 9 H 1S -0.01767 -0.00005 -0.00017 -0.00010 0.00001 122 2S -0.40443 -0.00058 -0.00225 -0.00086 -0.00041 123 3S -0.34906 -0.00039 -0.00323 -0.00257 0.00075 124 4PX -0.01405 0.00008 -0.00033 -0.00021 -0.00018 125 4PY -0.00072 -0.00024 0.00000 0.00001 -0.00005 126 4PZ -0.00108 0.00008 0.25475 0.12131 0.26016 127 10 H 1S -0.04079 -0.00012 0.00000 0.00041 -0.00005 128 2S -0.93369 -0.00157 0.00004 0.00707 -0.00031 129 3S -0.80576 -0.00106 0.00121 0.00792 -0.00132 130 4PX -0.00025 0.00013 -0.00018 0.00006 0.00014 131 4PY -0.03075 -0.00007 0.00009 0.00034 -0.00008 132 4PZ -0.00224 0.00020 0.23244 -0.15997 -0.19242 133 11 H 1S 0.05845 -0.00006 -0.00002 -0.00041 0.00015 134 2S 1.33794 -0.00074 0.00008 -0.00772 0.00183 135 3S 1.15460 -0.00053 -0.00125 -0.00868 0.00296 136 4PX -0.03410 -0.00006 0.00000 0.00047 0.00000 137 4PY 0.02736 -0.00013 -0.00012 -0.00041 0.00009 138 4PZ -0.00218 0.00028 -0.02244 -0.28127 -0.06781 139 12 H 1S -0.01766 0.00006 0.00016 0.00024 -0.00018 140 2S -0.40494 0.00081 0.00206 0.00388 -0.00321 141 3S -0.34922 0.00056 0.00289 0.00505 -0.00403 142 4PX 0.01405 0.00005 -0.00003 -0.00019 0.00002 143 4PY 0.00071 -0.00018 -0.00022 -0.00011 0.00033 144 4PZ -0.00154 0.00021 -0.25466 -0.12120 0.26022 71 72 73 74 75 V V V V V Eigenvalues -- 1.14086 1.23596 1.25838 1.40654 1.44240 1 1 C 1S -0.00006 -0.03989 0.00031 0.00003 0.00625 2 2S -0.00013 -0.08722 -0.00178 0.00007 0.01001 3 2PX 0.00003 -0.00373 0.00441 0.05113 -0.07510 4 2PY 0.00003 -0.02898 0.03456 -0.00656 -0.02610 5 2PZ -0.03095 -0.00003 -0.00002 0.00003 -0.00001 6 3S 0.00184 1.25564 0.05189 -0.00050 -0.08488 7 3PX 0.00022 -0.01395 0.00422 -0.26182 -0.12572 8 3PY -0.00030 -0.11087 0.03202 0.03339 -0.04049 9 3PZ -0.05856 -0.00013 -0.00005 -0.00008 -0.00004 10 4S -0.02526 -17.95379 -0.40166 0.00133 1.19160 11 4PX -0.00333 -1.23514 0.03586 0.42061 1.02665 12 4PY -0.01118 -9.67045 0.27800 -0.05361 -0.39190 13 4PZ 0.10894 0.00563 0.00023 0.00038 0.00050 14 5D 0 -0.00005 0.11130 0.28153 -0.00037 -0.18050 15 5D+1 -0.22103 0.00154 0.00020 -0.00006 -0.00005 16 5D-1 0.17954 0.00076 0.00042 0.00025 -0.00021 17 5D+2 0.00004 -0.01361 0.25255 0.08556 -0.28468 18 5D-2 -0.00017 0.00370 -0.06593 0.32759 0.09737 19 2 C 1S 0.00004 0.03988 0.00043 0.00003 -0.00291 20 2S 0.00010 0.08721 -0.00153 0.00007 -0.00464 21 2PX -0.00003 -0.02317 -0.02780 -0.03129 -0.06818 22 2PY 0.00007 0.01759 0.02118 -0.04103 -0.06212 23 2PZ 0.04269 -0.00024 -0.00008 0.00000 -0.00001 24 3S -0.00143 -1.25572 0.04833 -0.00048 0.03939 25 3PX -0.00044 -0.08865 -0.02595 0.16000 -0.11338 26 3PY 0.00048 0.06780 0.01954 0.20969 -0.10561 27 3PZ 0.08076 -0.00016 -0.00006 0.00000 -0.00003 28 4S 0.02520 17.95755 -0.35140 -0.00021 -0.55654 29 4PX -0.00771 -7.75009 -0.24494 -0.25656 0.72986 30 4PY 0.00452 5.91245 0.18764 -0.33659 1.15711 31 4PZ -0.15025 -0.00471 -0.00074 0.00002 -0.00040 32 5D 0 -0.00001 -0.11205 0.28129 -0.00033 0.08423 33 5D+1 0.11289 -0.00242 -0.00058 0.00014 -0.00023 34 5D-1 -0.19322 0.00131 0.00036 0.00022 0.00023 35 5D+2 -0.00012 -0.00374 -0.06940 0.32637 -0.06505 36 5D-2 0.00049 0.01300 0.25165 0.09016 0.12774 37 3 C 1S -0.00007 -0.03989 0.00031 0.00004 -0.00917 38 2S -0.00014 -0.08722 -0.00179 0.00008 -0.01466 39 2PX -0.00004 0.02696 -0.03213 -0.01990 -0.04044 40 2PY 0.00004 0.01125 -0.01348 0.04751 -0.03820 41 2PZ -0.01174 -0.00002 -0.00001 -0.00003 -0.00007 42 3S 0.00195 1.25572 0.05195 -0.00053 0.12430 43 3PX 0.00031 0.10281 -0.02983 0.10190 -0.06304 44 3PY -0.00005 0.04355 -0.01227 -0.24348 -0.06189 45 3PZ -0.02202 -0.00009 -0.00007 0.00013 -0.00007 46 4S -0.02671 -17.95030 -0.40165 0.00005 -1.74734 47 4PX 0.01210 8.99103 -0.25851 -0.16429 -0.46325 48 4PY 0.00466 3.76599 -0.10808 0.39100 0.12516 49 4PZ 0.04118 0.00797 0.00033 -0.00033 0.00010 50 5D 0 -0.00016 0.11127 0.28151 -0.00028 0.26450 51 5D+1 -0.17865 -0.00163 -0.00067 0.00022 -0.00056 52 5D-1 0.28006 -0.00128 -0.00027 0.00009 -0.00026 53 5D+2 0.00003 0.01008 -0.18349 0.24063 -0.30522 54 5D-2 -0.00028 0.00987 -0.18567 -0.23823 -0.31785 55 4 C 1S 0.00010 0.03989 0.00041 0.00003 -0.00624 56 2S 0.00022 0.08722 -0.00156 0.00006 -0.00999 57 2PX -0.00004 -0.00364 -0.00445 0.05110 -0.07515 58 2PY -0.00001 -0.02886 -0.03467 -0.00659 -0.02613 59 2PZ -0.03094 -0.00002 0.00000 0.00003 -0.00005 60 3S -0.00275 -1.25582 0.04853 -0.00042 0.08463 61 3PX -0.00023 -0.01444 -0.00393 -0.26184 -0.12553 62 3PY 0.00010 -0.11059 -0.03233 0.03366 -0.04013 63 3PZ -0.05835 0.00007 0.00001 -0.00019 -0.00007 64 4S 0.02956 17.95114 -0.35158 -0.00113 -1.19076 65 4PX -0.00145 -1.24610 -0.04012 0.42066 1.02438 66 4PY -0.01818 -9.66596 -0.30515 -0.05404 -0.39225 67 4PZ 0.10873 0.00294 -0.00030 0.00024 0.00052 68 5D 0 0.00017 -0.11202 0.28122 -0.00021 0.18012 69 5D+1 0.22098 -0.00064 -0.00027 0.00011 0.00001 70 5D-1 -0.17936 -0.00081 0.00022 -0.00021 0.00004 71 5D+2 -0.00007 0.01297 0.25272 -0.08485 0.28491 72 5D-2 0.00024 -0.00317 -0.06567 -0.32780 -0.09731 73 5 C 1S -0.00008 -0.03989 0.00031 0.00003 0.00294 74 2S -0.00018 -0.08721 -0.00178 0.00006 0.00471 75 2PX -0.00006 -0.02320 0.02772 -0.03124 -0.06816 76 2PY 0.00003 0.01771 -0.02112 -0.04106 -0.06212 77 2PZ 0.04269 -0.00004 0.00001 0.00000 -0.00001 78 3S 0.00250 1.25569 0.05188 -0.00048 -0.03992 79 3PX -0.00027 -0.08886 0.02545 0.15973 -0.11339 80 3PY 0.00009 0.06760 -0.01960 0.20991 -0.10560 81 3PZ 0.08071 -0.00028 -0.00001 -0.00005 -0.00002 82 4S -0.03168 -17.95573 -0.40189 0.00070 0.55572 83 4PX -0.01352 -7.75784 0.22341 -0.25587 0.72881 84 4PY 0.01212 5.90267 -0.17008 -0.33693 1.15593 85 4PZ -0.15020 -0.00807 0.00047 -0.00005 -0.00021 86 5D 0 -0.00016 0.11124 0.28158 -0.00021 -0.08447 87 5D+1 -0.11281 0.00022 -0.00042 -0.00015 0.00027 88 5D-1 0.19322 0.00095 0.00051 -0.00019 -0.00012 89 5D+2 -0.00006 0.00362 -0.06917 -0.32656 0.06507 90 5D-2 -0.00021 -0.01375 0.25169 -0.08953 -0.12758 91 6 C 1S 0.00009 0.03989 0.00042 0.00002 0.00917 92 2S 0.00019 0.08722 -0.00154 0.00005 0.01467 93 2PX 0.00002 0.02684 0.03224 -0.01988 -0.04043 94 2PY 0.00000 0.01127 0.01346 0.04754 -0.03813 95 2PZ -0.01176 0.00021 0.00005 -0.00003 0.00002 96 3S -0.00243 -1.25575 0.04844 -0.00037 -0.12445 97 3PX -0.00001 0.10308 0.03005 0.10169 -0.06329 98 3PY 0.00028 0.04289 0.01268 -0.24354 -0.06205 99 3PZ -0.02232 0.00020 0.00006 0.00019 0.00001 100 4S 0.02868 17.95423 -0.35133 0.00005 1.74773 101 4PX 0.01416 8.99522 0.28419 -0.16408 -0.46322 102 4PY 0.00754 3.75658 0.11846 0.39122 0.12472 103 4PZ 0.04148 -0.00125 -0.00023 -0.00026 -0.00050 104 5D 0 0.00019 -0.11209 0.28123 -0.00032 -0.26482 105 5D+1 0.17895 -0.00134 -0.00027 -0.00024 0.00013 106 5D-1 -0.28000 -0.00044 0.00013 0.00004 0.00003 107 5D+2 0.00009 -0.00937 -0.18327 -0.24118 0.30496 108 5D-2 0.00008 -0.00965 -0.18592 0.23765 0.31778 109 7 H 1S -0.00008 -0.08059 -0.03874 -0.00009 0.12903 110 2S -0.00044 -0.92346 0.59669 0.00005 -0.68700 111 3S -0.00154 -1.53680 0.00820 -0.00002 0.09453 112 4PX -0.00010 0.00757 -0.00498 -0.14688 -0.07110 113 4PY -0.00003 0.05913 -0.03905 0.01872 0.05707 114 4PZ -0.18947 -0.00052 -0.00004 -0.00022 -0.00002 115 8 H 1S -0.00002 0.08065 -0.03848 -0.00021 -0.06037 116 2S -0.00007 0.92170 0.59952 0.00051 0.32133 117 3S 0.00075 1.53637 0.01275 -0.00025 -0.04430 118 4PX -0.00032 0.04730 0.03148 0.08984 -0.04247 119 4PY 0.00006 -0.03610 -0.02400 0.11756 -0.09254 120 4PZ 0.26140 -0.00166 -0.00006 -0.00003 0.00007 121 9 H 1S -0.00008 -0.08059 -0.03876 -0.00029 -0.18943 122 2S -0.00080 -0.92344 0.59657 0.00102 1.00800 123 3S -0.00181 -1.53650 0.00814 -0.00017 -0.13871 124 4PX 0.00002 -0.05499 0.03634 0.05731 0.07279 125 4PY -0.00006 -0.02299 0.01524 -0.13652 0.00735 126 4PZ -0.07173 -0.00103 -0.00019 0.00015 0.00019 127 10 H 1S 0.00017 0.08069 -0.03853 -0.00033 -0.12906 128 2S 0.00230 0.92145 0.59927 0.00107 0.68683 129 3S 0.00302 1.53616 0.01256 -0.00042 -0.09433 130 4PX 0.00028 0.00760 0.00504 -0.14691 -0.07092 131 4PY 0.00011 0.05902 0.03924 0.01910 0.05720 132 4PZ -0.18918 -0.00029 0.00000 -0.00005 0.00002 133 11 H 1S -0.00013 -0.08057 -0.03874 -0.00021 0.06034 134 2S -0.00207 -0.92320 0.59672 0.00064 -0.32094 135 3S -0.00288 -1.53606 0.00824 -0.00014 0.04417 136 4PX 0.00002 0.04743 -0.03140 0.08951 -0.04242 137 4PY 0.00022 -0.03608 0.02391 0.11784 -0.09248 138 4PZ 0.26127 0.00015 0.00002 0.00006 0.00010 139 12 H 1S 0.00012 0.08066 -0.03850 -0.00013 0.18936 140 2S 0.00171 0.92190 0.59936 0.00007 -1.00816 141 3S 0.00245 1.53673 0.01261 -0.00023 0.13862 142 4PX -0.00017 -0.05490 -0.03647 0.05700 0.07266 143 4PY 0.00013 -0.02294 -0.01525 -0.13662 0.00718 144 4PZ -0.07209 0.00136 0.00013 0.00007 -0.00001 76 77 78 79 80 V V V V V Eigenvalues -- 1.44242 1.48596 1.54647 1.55095 1.55098 1 1 C 1S -0.00698 -0.01532 -0.00002 0.00004 0.00003 2 2S -0.01116 -0.03895 -0.00004 0.00009 0.00008 3 2PX -0.05811 -0.00356 0.00006 -0.00013 -0.00004 4 2PY 0.04736 -0.02861 -0.00011 0.00004 0.00011 5 2PZ -0.00003 0.00003 -0.05209 0.11811 -0.02774 6 3S 0.09460 0.36260 0.00062 -0.00071 -0.00105 7 3PX -0.09834 0.02310 -0.00023 0.00077 0.00024 8 3PY 0.07576 0.18352 0.00012 -0.00030 -0.00023 9 3PZ -0.00009 -0.00011 0.02607 0.04380 -0.01025 10 4S -1.32836 -0.10203 -0.00870 0.00159 0.01141 11 4PX 0.98575 -0.02672 -0.00041 -0.00337 0.00075 12 4PY 0.16594 -0.20908 -0.00495 0.00183 0.00527 13 4PZ 0.00070 0.00044 -0.88473 0.56960 -0.13381 14 5D 0 0.20156 0.29397 0.00043 -0.00052 -0.00037 15 5D+1 0.00029 -0.00002 -0.02558 0.12078 0.40139 16 5D-1 0.00048 0.00022 -0.19901 0.18441 -0.09828 17 5D+2 0.32955 -0.20922 0.00013 -0.00055 -0.00020 18 5D-2 -0.06497 0.05503 0.00022 -0.00039 -0.00007 19 2 C 1S -0.00891 -0.01531 0.00004 -0.00007 -0.00005 20 2S -0.01426 -0.03894 0.00010 -0.00015 -0.00011 21 2PX -0.02211 0.02283 -0.00003 -0.00003 0.00006 22 2PY 0.05428 -0.01764 0.00000 -0.00010 0.00001 23 2PZ -0.00007 -0.00008 0.05252 -0.08312 -0.08808 24 3S 0.12095 0.36261 -0.00129 0.00145 0.00123 25 3PX -0.03311 -0.14690 0.00010 -0.00012 0.00003 26 3PY 0.08827 0.11240 0.00005 0.00028 0.00006 27 3PZ -0.00010 -0.00005 -0.02591 -0.03075 -0.03295 28 4S -1.69879 -0.10195 0.01046 -0.00188 -0.00885 29 4PX -0.56257 0.16708 -0.00511 0.00098 0.00574 30 4PY -0.13198 -0.12840 0.00350 -0.00389 -0.00205 31 4PZ -0.00129 -0.00077 0.88690 -0.40228 -0.42047 32 5D 0 0.25703 0.29401 -0.00016 0.00057 0.00016 33 5D+1 -0.00061 -0.00006 -0.15864 0.29770 -0.05804 34 5D-1 0.00057 -0.00006 0.12413 0.15973 -0.31870 35 5D+2 -0.10425 0.05773 0.00018 0.00008 0.00004 36 5D-2 0.41468 -0.20825 -0.00031 0.00000 0.00024 37 3 C 1S -0.00192 -0.01533 -0.00002 0.00001 0.00004 38 2S -0.00307 -0.03897 -0.00005 0.00002 0.00009 39 2PX -0.04607 0.02655 0.00013 -0.00005 -0.00017 40 2PY 0.08203 0.01116 0.00000 0.00009 0.00008 41 2PZ -0.00006 0.00007 -0.05336 -0.03453 0.11573 42 3S 0.02608 0.36285 0.00065 -0.00032 -0.00087 43 3PX -0.07668 -0.17065 -0.00012 0.00034 0.00036 44 3PY 0.13823 -0.07182 0.00007 -0.00062 -0.00044 45 3PZ -0.00012 -0.00020 0.02562 -0.01324 0.04322 46 4S -0.36478 -0.10419 -0.00941 0.00326 0.00640 47 4PX 0.46757 0.19468 0.00521 -0.00125 -0.00489 48 4PY -1.32458 0.08166 0.00172 -0.00007 0.00014 49 4PZ 0.00096 0.00101 -0.89088 -0.16093 0.55260 50 5D 0 0.05558 0.29437 0.00064 0.00021 -0.00060 51 5D+1 -0.00011 -0.00049 0.18810 0.20857 -0.13119 52 5D-1 -0.00031 0.00010 0.07593 -0.35051 -0.18693 53 5D+2 -0.08576 0.15194 -0.00022 0.00039 0.00046 54 5D-2 -0.04488 0.15337 0.00003 -0.00009 -0.00012 55 4 C 1S 0.00696 -0.01534 0.00001 0.00005 0.00002 56 2S 0.01113 -0.03899 0.00003 0.00011 0.00004 57 2PX -0.05811 0.00380 -0.00006 0.00003 0.00018 58 2PY 0.04737 0.02851 0.00001 0.00005 -0.00004 59 2PZ -0.00002 -0.00004 0.05377 0.11741 -0.02747 60 3S -0.09433 0.36292 -0.00055 -0.00097 -0.00024 61 3PX -0.09829 -0.02402 0.00016 -0.00036 -0.00010 62 3PY 0.07561 -0.18367 -0.00016 0.00035 0.00031 63 3PZ -0.00006 0.00008 -0.02548 0.04405 -0.01035 64 4S 1.32864 -0.10216 0.00892 -0.00093 -0.00791 65 4PX 0.98522 0.02849 -0.00167 0.00070 0.00154 66 4PY 0.16565 0.20816 -0.00410 -0.00056 0.00281 67 4PZ 0.00091 -0.00046 0.89283 0.55743 -0.13038 68 5D 0 -0.20128 0.29456 0.00026 -0.00041 -0.00104 69 5D+1 -0.00021 -0.00064 -0.02585 -0.12031 -0.40157 70 5D-1 -0.00015 0.00024 -0.20192 -0.18161 0.09786 71 5D+2 -0.32975 -0.20896 0.00002 0.00015 0.00038 72 5D-2 0.06507 0.05392 0.00029 -0.00031 -0.00072 73 5 C 1S 0.00890 -0.01533 -0.00002 -0.00004 -0.00001 74 2S 0.01424 -0.03897 -0.00005 -0.00009 -0.00002 75 2PX -0.02212 -0.02306 -0.00001 0.00012 0.00017 76 2PY 0.05431 0.01730 0.00003 -0.00005 -0.00014 77 2PZ -0.00010 -0.00005 -0.05333 -0.08242 -0.08825 78 3S -0.12085 0.36287 0.00071 0.00069 -0.00019 79 3PX -0.03290 0.14751 -0.00001 -0.00004 -0.00008 80 3PY 0.08817 -0.11182 -0.00016 -0.00042 -0.00022 81 3PZ -0.00010 0.00019 0.02564 -0.03104 -0.03285 82 4S 1.69938 -0.10338 -0.00831 -0.00110 0.00834 83 4PX -0.56320 -0.16812 -0.00302 0.00095 0.00387 84 4PY -0.13415 0.12792 0.00207 0.00148 -0.00212 85 4PZ -0.00040 -0.00034 -0.89085 -0.39021 -0.42350 86 5D 0 -0.25676 0.29426 -0.00013 0.00026 -0.00048 87 5D+1 0.00038 -0.00010 -0.16293 -0.29530 0.05737 88 5D-1 -0.00047 0.00037 0.12077 -0.16158 0.31930 89 5D+2 0.10439 0.05676 0.00012 0.00043 -0.00029 90 5D-2 -0.41481 -0.20828 -0.00018 0.00035 0.00016 91 6 C 1S 0.00190 -0.01531 -0.00002 0.00001 0.00000 92 2S 0.00303 -0.03894 -0.00006 0.00003 0.00001 93 2PX -0.04612 -0.02664 0.00002 0.00012 -0.00002 94 2PY 0.08203 -0.01106 0.00006 -0.00026 -0.00004 95 2PZ -0.00006 0.00004 0.05248 -0.03536 0.11587 96 3S -0.02562 0.36256 0.00036 -0.00034 0.00026 97 3PX -0.07636 0.17084 0.00034 -0.00022 -0.00034 98 3PY 0.13836 0.07092 0.00006 0.00024 0.00019 99 3PZ -0.00010 -0.00002 -0.02592 -0.01287 0.04320 100 4S 0.36336 -0.10220 0.00692 -0.00077 -0.00854 101 4PX 0.46664 -0.19496 0.00257 0.00001 -0.00460 102 4PY -1.32606 -0.07971 0.00200 0.00089 -0.00176 103 4PZ 0.00089 0.00013 0.88670 -0.17348 0.55566 104 5D 0 -0.05520 0.29403 0.00030 -0.00071 -0.00043 105 5D+1 -0.00007 -0.00021 0.18478 -0.21088 0.13189 106 5D-1 0.00035 0.00055 0.08003 0.34941 0.18740 107 5D+2 0.08581 0.15142 -0.00016 0.00029 0.00003 108 5D-2 0.04496 0.15431 0.00012 -0.00083 -0.00028 109 7 H 1S -0.14414 0.07603 -0.00010 0.00030 0.00020 110 2S 0.76750 -0.14618 -0.00017 -0.00067 -0.00025 111 3S -0.10527 0.01893 -0.00080 0.00037 0.00100 112 4PX -0.07592 0.01113 -0.00031 0.00083 0.00023 113 4PY -0.04385 0.08883 0.00029 -0.00013 -0.00008 114 4PZ -0.00002 -0.00017 0.37424 -0.38359 0.09018 115 8 H 1S -0.18384 0.07597 0.00002 -0.00010 -0.00017 116 2S 0.97851 -0.14595 0.00024 -0.00028 -0.00032 117 3S -0.13469 0.01884 0.00095 -0.00049 -0.00097 118 4PX 0.07365 -0.07100 0.00037 0.00015 -0.00032 119 4PY -0.01524 0.05454 -0.00019 0.00054 -0.00007 120 4PZ 0.00014 0.00058 -0.37563 0.27019 0.28467 121 9 H 1S -0.03968 0.07577 -0.00017 0.00007 0.00017 122 2S 0.21125 -0.14516 -0.00005 -0.00019 0.00002 123 3S -0.02917 0.01857 -0.00086 0.00026 0.00075 124 4PX -0.02597 -0.08253 -0.00038 0.00024 0.00048 125 4PY 0.09998 -0.03467 0.00016 -0.00068 -0.00060 126 4PZ -0.00002 -0.00055 0.37845 0.11015 -0.37419 127 10 H 1S 0.14422 0.07570 0.00002 0.00006 -0.00008 128 2S -0.76765 -0.14480 0.00031 0.00001 -0.00005 129 3S 0.10555 0.01869 0.00073 0.00010 -0.00054 130 4PX -0.07605 -0.01186 0.00037 -0.00022 -0.00054 131 4PY -0.04396 -0.08865 -0.00009 -0.00007 0.00009 132 4PZ -0.00006 0.00025 -0.37972 -0.37857 0.08833 133 11 H 1S 0.18391 0.07580 -0.00005 -0.00034 -0.00015 134 2S -0.97831 -0.14541 -0.00027 0.00089 0.00064 135 3S 0.13501 0.01861 -0.00079 -0.00030 0.00054 136 4PX 0.07397 0.07152 -0.00021 -0.00045 -0.00047 137 4PY -0.01514 -0.05383 0.00009 0.00008 0.00015 138 4PZ 0.00022 0.00030 0.37836 0.26540 0.28577 139 12 H 1S 0.03963 0.07599 0.00000 0.00000 -0.00005 140 2S -0.21111 -0.14594 0.00044 0.00013 -0.00055 141 3S 0.02864 0.01886 0.00044 0.00006 -0.00085 142 4PX -0.02592 0.08276 0.00016 -0.00024 0.00001 143 4PY 0.09996 0.03418 -0.00026 0.00052 0.00009 144 4PZ -0.00006 -0.00021 -0.37553 0.11587 -0.37525 81 82 83 84 85 V V V V V Eigenvalues -- 1.57786 1.57789 1.64137 1.64144 1.70090 1 1 C 1S 0.01855 0.01840 -0.02041 -0.00758 0.00000 2 2S 0.03917 0.03887 -0.04555 -0.01694 0.00001 3 2PX 0.07839 -0.08536 -0.02752 0.06490 0.00009 4 2PY -0.03466 -0.01341 -0.01855 -0.01660 0.00005 5 2PZ 0.00004 -0.00030 -0.00008 0.00016 -0.05319 6 3S -0.27092 -0.26896 0.44290 0.16493 -0.00028 7 3PX -0.16242 0.13929 0.13367 -0.28683 -0.00025 8 3PY -0.07679 -0.11485 0.16787 0.10563 -0.00001 9 3PZ -0.00003 0.00000 -0.00009 -0.00004 -0.04733 10 4S -0.54305 -0.54062 1.90900 0.71208 0.00432 11 4PX 0.53561 -0.55516 -0.93232 2.21334 0.00374 12 4PY -0.12002 0.02091 -0.61646 -0.55922 0.00128 13 4PZ 0.00058 -0.00150 -0.00038 0.00105 -0.06215 14 5D 0 -0.13252 -0.13150 0.32644 0.12154 -0.00045 15 5D+1 0.00029 -0.00051 -0.00043 -0.00035 0.03408 16 5D-1 -0.00001 -0.00046 0.00011 0.00014 0.26566 17 5D+2 0.00142 -0.12569 -0.14350 -0.03134 -0.00027 18 5D-2 0.26003 -0.23005 0.00689 0.08906 0.00014 19 2 C 1S 0.00664 -0.02528 -0.01679 0.01384 -0.00001 20 2S 0.01402 -0.05340 -0.03748 0.03090 -0.00002 21 2PX -0.06144 -0.04445 0.04177 0.02126 0.00033 22 2PY -0.09513 -0.00363 0.02509 0.05253 -0.00012 23 2PZ -0.00004 0.00031 0.00001 0.00002 -0.05329 24 3S -0.09686 0.36959 0.36437 -0.30062 0.00053 25 3PX 0.15351 -0.07199 -0.24293 -0.04964 0.00008 26 3PY 0.14456 0.12361 -0.06972 -0.27061 0.00004 27 3PZ 0.00000 0.00008 -0.00009 0.00008 -0.04735 28 4S -0.19219 0.74221 1.57250 -1.29607 -0.01011 29 4PX -0.44130 -0.17456 1.41074 0.73586 0.00066 30 4PY -0.60930 -0.11673 0.85946 1.78577 -0.00086 31 4PZ -0.00032 0.00171 0.00117 -0.00088 -0.06251 32 5D 0 -0.04738 0.18093 0.26858 -0.22142 0.00026 33 5D+1 0.00019 -0.00089 -0.00023 0.00039 -0.21302 34 5D-1 -0.00007 0.00040 0.00018 -0.00001 0.16244 35 5D+2 0.33989 0.06495 -0.02088 -0.08735 -0.00022 36 5D-2 0.06953 0.10827 -0.12587 0.07520 0.00071 37 3 C 1S -0.02524 0.00688 0.00364 0.02143 0.00003 38 2S -0.05330 0.01451 0.00811 0.04783 0.00007 39 2PX -0.04241 -0.03506 -0.03048 -0.01673 -0.00018 40 2PY 0.01572 0.10742 0.06301 -0.01975 -0.00013 41 2PZ 0.00004 -0.00017 -0.00011 -0.00001 -0.05325 42 3S 0.36893 -0.10027 -0.07855 -0.46529 -0.00091 43 3PX -0.09978 0.11307 0.15093 0.15766 0.00019 44 3PY -0.10324 -0.17780 -0.27668 0.12288 0.00019 45 3PZ -0.00004 0.00010 0.00013 0.00008 -0.04732 46 4S 0.73923 -0.20243 -0.33755 -2.01090 0.00785 47 4PX -0.14182 -0.27225 -1.03852 -0.55443 -0.00067 48 4PY 0.16571 0.70054 2.14984 -0.66504 -0.00210 49 4PZ 0.00001 -0.00100 -0.00132 0.00058 -0.06225 50 5D 0 0.18052 -0.04915 -0.05801 -0.34305 -0.00123 51 5D+1 -0.00032 0.00004 0.00023 0.00036 -0.24720 52 5D-1 0.00014 0.00092 -0.00030 -0.00035 -0.10359 53 5D+2 0.00614 0.26238 0.04134 -0.11410 0.00090 54 5D-2 -0.12822 -0.22579 -0.07528 -0.09587 0.00081 55 4 C 1S 0.01857 0.01842 0.02034 0.00762 0.00000 56 2S 0.03923 0.03889 0.04541 0.01700 -0.00001 57 2PX -0.07856 0.08519 -0.02731 0.06475 0.00023 58 2PY 0.03457 0.01346 -0.01859 -0.01650 0.00007 59 2PZ -0.00015 -0.00015 0.00002 0.00008 -0.05330 60 3S -0.27158 -0.26909 -0.44177 -0.16517 0.00025 61 3PX 0.16275 -0.13942 0.13326 -0.28670 0.00019 62 3PY 0.07708 0.11473 0.16755 0.10572 0.00001 63 3PZ 0.00003 -0.00023 0.00002 -0.00023 -0.04732 64 4S -0.54489 -0.53845 -1.90895 -0.71268 -0.00439 65 4PX -0.53993 0.55444 -0.93195 2.21094 -0.00051 66 4PY 0.11836 -0.02202 -0.61675 -0.55843 0.00172 67 4PZ -0.00077 -0.00042 -0.00061 0.00165 -0.06235 68 5D 0 -0.13286 -0.13171 -0.32575 -0.12186 0.00028 69 5D+1 -0.00004 0.00090 0.00071 0.00018 -0.03422 70 5D-1 0.00029 -0.00003 -0.00021 -0.00002 -0.26592 71 5D+2 0.00159 -0.12554 0.14370 0.03101 0.00031 72 5D-2 0.26029 -0.22979 -0.00753 -0.08882 0.00008 73 5 C 1S 0.00668 -0.02528 0.01676 -0.01385 -0.00002 74 2S 0.01411 -0.05340 0.03741 -0.03092 -0.00004 75 2PX 0.06151 0.04437 0.04159 0.02134 -0.00001 76 2PY 0.09513 0.00354 0.02484 0.05257 0.00004 77 2PZ 0.00000 0.00032 0.00011 0.00000 -0.05332 78 3S -0.09768 0.36959 -0.36390 0.30066 0.00029 79 3PX -0.15396 0.07169 -0.24254 -0.04968 0.00007 80 3PY -0.14433 -0.12375 -0.06957 -0.27081 -0.00023 81 3PZ 0.00000 0.00026 -0.00004 0.00018 -0.04733 82 4S -0.19866 0.74031 -1.57252 1.29617 0.00050 83 4PX 0.44265 0.17341 1.41097 0.73483 0.00284 84 4PY 0.60977 0.11708 0.85969 1.78423 0.00020 85 4PZ 0.00021 0.00124 0.00022 -0.00054 -0.06244 86 5D 0 -0.04775 0.18089 -0.26811 0.22166 0.00080 87 5D+1 0.00042 0.00012 0.00036 -0.00026 0.21336 88 5D-1 0.00039 0.00027 -0.00022 0.00022 -0.16240 89 5D+2 0.33987 0.06477 0.02000 0.08779 -0.00011 90 5D-2 0.06988 0.10816 0.12569 -0.07502 0.00090 91 6 C 1S -0.02523 0.00686 -0.00356 -0.02146 0.00000 92 2S -0.05328 0.01450 -0.00797 -0.04790 0.00000 93 2PX 0.04235 0.03520 -0.03065 -0.01671 0.00012 94 2PY -0.01544 -0.10744 0.06310 -0.01981 -0.00007 95 2PZ 0.00006 0.00002 -0.00007 -0.00007 -0.05323 96 3S 0.36868 -0.10033 0.07779 0.46584 0.00000 97 3PX 0.09991 -0.11319 0.15076 0.15771 -0.00001 98 3PY 0.10279 0.17768 -0.27689 0.12317 -0.00013 99 3PZ -0.00001 -0.00017 0.00022 -0.00005 -0.04734 100 4S 0.73915 -0.20106 0.33704 2.01121 0.00175 101 4PX 0.14106 0.27332 -1.03974 -0.55389 -0.00242 102 4PY -0.16011 -0.70021 2.15050 -0.66623 -0.00053 103 4PZ -0.00021 0.00044 -0.00178 -0.00032 -0.06233 104 5D 0 0.18048 -0.04901 0.05749 0.34339 -0.00023 105 5D+1 0.00001 0.00058 0.00013 -0.00038 0.24714 106 5D-1 0.00009 -0.00090 -0.00039 0.00059 0.10341 107 5D+2 0.00569 0.26263 -0.04094 0.11407 0.00023 108 5D-2 -0.12792 -0.22572 0.07600 0.09565 0.00048 109 7 H 1S 0.08852 0.08790 -0.04649 -0.01706 0.00016 110 2S -0.19371 -0.19188 -0.25769 -0.09720 -0.00043 111 3S 0.03019 0.03014 -0.19553 -0.07290 0.00049 112 4PX -0.23752 0.25540 0.16540 -0.44856 -0.00122 113 4PY 0.09137 0.02776 -0.03503 0.05242 0.00032 114 4PZ -0.00023 0.00102 0.00024 -0.00045 0.43280 115 8 H 1S 0.03163 -0.12066 -0.03815 0.03149 -0.00066 116 2S -0.06950 0.26339 -0.21250 0.17584 0.00280 117 3S 0.01064 -0.04143 -0.16088 0.13293 -0.00085 118 4PX 0.18879 0.11984 -0.17694 -0.23273 -0.00016 119 4PY 0.28337 0.02136 -0.25074 -0.28997 0.00045 120 4PZ 0.00014 -0.00089 0.00010 -0.00031 0.43314 121 9 H 1S -0.12037 0.03259 0.00854 0.04858 0.00084 122 2S 0.26255 -0.07118 0.04458 0.27245 -0.00275 123 3S -0.04156 0.01098 0.03474 0.20549 0.00110 124 4PX 0.11168 0.11033 0.18091 -0.04407 -0.00068 125 4PY -0.05401 -0.32171 -0.43921 0.06818 0.00053 126 4PZ -0.00007 0.00058 0.00035 -0.00032 0.43309 127 10 H 1S 0.08880 0.08772 0.04614 0.01736 -0.00019 128 2S -0.19337 -0.19142 0.25903 0.09611 0.00054 129 3S 0.03093 0.03020 0.19533 0.07303 -0.00047 130 4PX 0.23835 -0.25533 0.16556 -0.44819 0.00026 131 4PY -0.09169 -0.02765 -0.03499 0.05236 0.00003 132 4PZ 0.00038 0.00033 0.00006 -0.00065 0.43327 133 11 H 1S 0.03194 -0.12056 0.03811 -0.03149 -0.00047 134 2S -0.06911 0.26292 0.21311 -0.17545 0.00182 135 3S 0.01119 -0.04156 0.16087 -0.13286 -0.00009 136 4PX -0.18874 -0.11974 -0.17687 -0.23246 -0.00073 137 4PY -0.28382 -0.02124 -0.25091 -0.28990 -0.00007 138 4PZ -0.00009 -0.00103 0.00000 -0.00014 0.43337 139 12 H 1S -0.12032 0.03288 -0.00783 -0.04876 0.00026 140 2S 0.26303 -0.07160 -0.04671 -0.27181 -0.00178 141 3S -0.04120 0.01141 -0.03438 -0.20562 -0.00014 142 4PX -0.11120 -0.11017 0.18122 -0.04404 -0.00005 143 4PY 0.05310 0.32169 -0.43927 0.06797 -0.00001 144 4PZ 0.00004 -0.00014 0.00046 -0.00001 0.43301 86 87 88 89 90 V V V V V Eigenvalues -- 1.73593 1.73600 1.76449 1.76453 1.83482 1 1 C 1S -0.00844 -0.00802 -0.00004 -0.00001 0.00000 2 2S -0.01794 -0.01705 -0.00008 -0.00002 0.00000 3 2PX -0.04359 0.03060 0.00030 0.00004 0.07288 4 2PY -0.05520 -0.06168 -0.00021 -0.00011 -0.00935 5 2PZ 0.00010 0.00021 -0.04734 -0.07913 -0.00006 6 3S 0.19250 0.18306 0.00064 0.00022 0.00008 7 3PX -0.04649 0.06921 0.00031 0.00013 -0.08706 8 3PY 0.08819 0.06940 0.00028 0.00006 0.01130 9 3PZ 0.00002 0.00002 -0.01653 -0.02770 -0.00005 10 4S -1.71670 -1.62688 -0.00476 -0.00184 -0.00089 11 4PX 0.61637 -0.63464 -0.00105 -0.00150 -0.16016 12 4PY -0.03255 0.12458 0.00093 0.00045 0.02059 13 4PZ 0.00062 -0.00035 -0.05012 -0.08393 -0.00021 14 5D 0 0.16726 0.15911 0.00014 -0.00002 0.00006 15 5D+1 0.00031 0.00000 -0.01068 0.07195 -0.00021 16 5D-1 -0.00004 -0.00049 0.23245 0.37634 0.00012 17 5D+2 0.28168 0.27954 0.00081 0.00006 0.05144 18 5D-2 -0.09947 -0.04528 0.00010 -0.00010 0.19795 19 2 C 1S -0.00271 0.01133 0.00005 0.00002 0.00000 20 2S -0.00575 0.02410 0.00011 0.00004 -0.00001 21 2PX 0.04643 -0.05691 0.00004 -0.00014 -0.04454 22 2PY 0.02900 0.05882 0.00007 0.00007 -0.05852 23 2PZ 0.00014 0.00015 -0.09212 0.00162 -0.00010 24 3S 0.06169 -0.25856 -0.00078 -0.00039 0.00008 25 3PX 0.02826 0.09855 0.00051 0.00002 0.05302 26 3PY 0.08001 -0.05128 -0.00031 -0.00017 0.06986 27 3PZ 0.00007 0.00014 -0.03223 0.00062 -0.00002 28 4S -0.55322 2.29830 0.00329 0.00276 0.00052 29 4PX -0.53770 -0.07701 -0.00011 -0.00024 0.09644 30 4PY -0.67955 -0.20187 -0.00210 -0.00107 0.12670 31 4PZ -0.00008 0.00115 -0.09767 0.00183 -0.00010 32 5D 0 0.05364 -0.22467 -0.00091 -0.00033 -0.00002 33 5D+1 0.00053 0.00143 -0.35405 0.03391 -0.00027 34 5D-1 -0.00003 -0.00123 0.27085 0.03232 -0.00014 35 5D+2 -0.05989 0.09732 0.00033 0.00002 0.19749 36 5D-2 0.08301 -0.38659 -0.00161 -0.00066 0.05422 37 3 C 1S 0.01117 -0.00331 -0.00001 -0.00001 0.00000 38 2S 0.02376 -0.00704 -0.00001 -0.00002 0.00000 39 2PX -0.06779 0.04127 0.00019 0.00012 -0.02822 40 2PY -0.04454 -0.03755 -0.00046 -0.00010 0.06788 41 2PZ 0.00006 0.00003 -0.04476 0.08057 0.00001 42 3S -0.25485 0.07544 0.00004 0.00027 0.00010 43 3PX 0.10845 0.00133 0.00009 -0.00005 0.03367 44 3PY 0.02032 -0.08551 -0.00037 -0.00010 -0.08106 45 3PZ 0.00015 -0.00002 -0.01576 0.02808 0.00006 46 4S 2.26377 -0.67159 -0.00021 -0.00206 -0.00108 47 4PX -0.04101 -0.34657 -0.00060 -0.00003 0.06238 48 4PY 0.25502 0.78187 0.00089 -0.00028 -0.14910 49 4PZ -0.00026 -0.00060 -0.04748 0.08532 0.00017 50 5D 0 -0.22135 0.06538 -0.00039 0.00070 0.00017 51 5D+1 0.00114 -0.00025 -0.21562 0.35060 0.00039 52 5D-1 0.00060 -0.00014 -0.04614 0.17131 -0.00061 53 5D+2 0.26854 -0.10721 -0.00029 -0.00083 0.14572 54 5D-2 0.28699 -0.05830 0.00046 -0.00020 -0.14380 55 4 C 1S -0.00846 -0.00801 -0.00005 -0.00001 0.00000 56 2S -0.01799 -0.01704 -0.00010 -0.00002 -0.00002 57 2PX 0.04373 -0.03073 -0.00011 -0.00014 0.07300 58 2PY 0.05526 0.06165 0.00030 -0.00003 -0.00920 59 2PZ 0.00008 -0.00040 0.04743 0.07904 0.00025 60 3S 0.19304 0.18275 0.00088 0.00008 0.00019 61 3PX 0.04567 -0.06956 -0.00012 -0.00012 -0.08722 62 3PY -0.08831 -0.06890 -0.00033 -0.00011 0.01097 63 3PZ 0.00012 -0.00021 0.01665 0.02754 -0.00003 64 4S -1.71154 -1.62552 -0.00542 0.00074 0.00085 65 4PX -0.61255 0.63409 0.00306 0.00151 -0.15723 66 4PY 0.03256 -0.12567 -0.00140 -0.00031 0.02037 67 4PZ -0.00048 -0.00013 0.05033 0.08372 0.00009 68 5D 0 0.16775 0.15881 0.00052 -0.00024 0.00016 69 5D+1 0.00036 -0.00007 -0.01051 0.07231 0.00014 70 5D-1 0.00051 -0.00161 0.23252 0.37602 0.00007 71 5D+2 0.28106 0.27987 0.00140 -0.00004 -0.05174 72 5D-2 -0.09973 -0.04524 -0.00031 -0.00018 -0.19832 73 5 C 1S -0.00274 0.01133 0.00005 0.00002 -0.00001 74 2S -0.00584 0.02409 0.00011 0.00003 -0.00004 75 2PX -0.04652 0.05691 0.00016 0.00002 -0.04451 76 2PY -0.02905 -0.05879 -0.00023 -0.00007 -0.05859 77 2PZ 0.00004 -0.00034 0.09207 -0.00147 0.00005 78 3S 0.06259 -0.25845 -0.00110 -0.00025 0.00022 79 3PX -0.02768 -0.09874 -0.00044 -0.00012 0.05336 80 3PY -0.08003 0.05045 0.00017 0.00005 0.06966 81 3PZ 0.00010 -0.00030 0.03215 -0.00048 0.00000 82 4S -0.54954 2.29653 0.00877 0.00179 0.00307 83 4PX 0.53509 0.07623 -0.00018 -0.00030 0.09654 84 4PY 0.68021 0.20188 0.00165 0.00006 0.12687 85 4PZ 0.00010 -0.00028 0.09756 -0.00148 0.00005 86 5D 0 0.05412 -0.22444 -0.00167 -0.00010 -0.00021 87 5D+1 -0.00012 0.00202 -0.35425 0.03384 -0.00027 88 5D-1 0.00042 -0.00165 0.27053 0.03231 -0.00041 89 5D+2 -0.05994 0.09773 0.00029 0.00004 -0.19748 90 5D-2 0.08222 -0.38652 -0.00186 -0.00033 -0.05481 91 6 C 1S 0.01116 -0.00332 -0.00002 0.00000 0.00000 92 2S 0.02374 -0.00706 -0.00004 0.00000 0.00000 93 2PX 0.06776 -0.04135 -0.00021 -0.00001 -0.02859 94 2PY 0.04453 0.03742 0.00016 -0.00001 0.06768 95 2PZ 0.00013 -0.00022 0.04464 -0.08068 -0.00014 96 3S -0.25470 0.07578 0.00033 0.00006 0.00021 97 3PX -0.10885 -0.00090 -0.00003 0.00008 0.03392 98 3PY -0.01952 0.08562 0.00019 0.00007 -0.08090 99 3PZ 0.00007 -0.00017 0.01558 -0.02825 0.00004 100 4S 2.26712 -0.67123 -0.00181 -0.00130 -0.00302 101 4PX 0.04322 0.34619 0.00158 0.00024 0.06211 102 4PY -0.25980 -0.78180 -0.00298 -0.00037 -0.14893 103 4PZ -0.00020 0.00051 0.04730 -0.08555 0.00001 104 5D 0 -0.22126 0.06601 0.00021 0.00009 0.00060 105 5D+1 -0.00018 0.00077 -0.21526 0.35099 0.00005 106 5D-1 0.00001 0.00011 -0.04570 0.17101 -0.00022 107 5D+2 0.26873 -0.10678 -0.00046 -0.00034 -0.14578 108 5D-2 0.28716 -0.05809 -0.00031 0.00012 0.14353 109 7 H 1S -0.23329 -0.22130 -0.00072 -0.00020 0.00007 110 2S 0.79573 0.75445 0.00240 0.00085 0.00001 111 3S -0.22294 -0.21169 -0.00047 -0.00015 0.00010 112 4PX -0.28403 0.28928 0.00069 0.00023 0.46111 113 4PY -0.00182 -0.07332 -0.00009 0.00016 -0.05898 114 4PZ -0.00064 -0.00078 0.30362 0.50686 0.00034 115 8 H 1S -0.07507 0.31273 0.00093 0.00054 -0.00001 116 2S 0.25624 -1.06608 -0.00272 -0.00175 0.00005 117 3S -0.07151 0.29907 0.00056 0.00041 0.00000 118 4PX 0.25074 0.01737 -0.00026 0.00011 -0.28173 119 4PY 0.30870 0.10679 0.00106 0.00037 -0.36951 120 4PZ -0.00091 -0.00149 0.59065 -0.00999 0.00023 121 9 H 1S 0.30829 -0.09146 0.00001 -0.00042 -0.00018 122 2S -1.05080 0.31165 -0.00001 0.00129 0.00056 123 3S 0.29478 -0.08732 0.00011 -0.00042 -0.00017 124 4PX -0.00177 0.16514 0.00034 0.00066 -0.17934 125 4PY -0.12612 -0.35601 -0.00128 -0.00054 0.42873 126 4PZ -0.00098 0.00047 0.28718 -0.51606 -0.00034 127 10 H 1S -0.23321 -0.22138 -0.00118 -0.00005 -0.00018 128 2S 0.79498 0.75453 0.00370 -0.00004 0.00036 129 3S -0.22311 -0.21148 -0.00088 0.00003 -0.00025 130 4PX 0.28385 -0.28969 -0.00104 -0.00028 0.46057 131 4PY 0.00187 0.07371 0.00043 -0.00001 -0.05913 132 4PZ -0.00054 0.00218 -0.30389 -0.50628 -0.00011 133 11 H 1S -0.07488 0.31274 0.00126 0.00030 0.00027 134 2S 0.25495 -1.06574 -0.00442 -0.00093 -0.00090 135 3S -0.07189 0.29901 0.00102 0.00019 0.00029 136 4PX -0.25067 -0.01691 0.00027 0.00022 -0.28132 137 4PY -0.30898 -0.10675 -0.00089 0.00020 -0.36960 138 4PZ -0.00035 0.00277 -0.59041 0.00963 0.00000 139 12 H 1S 0.30832 -0.09144 -0.00046 -0.00005 -0.00038 140 2S -1.05130 0.31173 0.00142 0.00030 0.00126 141 3S 0.29475 -0.08752 -0.00038 -0.00003 -0.00045 142 4PX 0.00113 -0.16481 -0.00062 -0.00026 -0.17939 143 4PY 0.12718 0.35572 0.00116 0.00054 0.42887 144 4PZ -0.00048 0.00089 -0.28641 0.51665 -0.00012 91 92 93 94 95 V V V V V Eigenvalues -- 1.89093 1.89817 1.89820 1.91585 1.91844 1 1 C 1S 0.00684 0.00655 0.00709 0.00002 -0.00008 2 2S 0.01318 0.01193 0.01292 0.00003 -0.00015 3 2PX -0.01914 -0.17774 0.14734 0.16630 -0.00367 4 2PY -0.15238 -0.03785 -0.08420 -0.02144 0.00095 5 2PZ 0.00006 0.00150 -0.00086 -0.00830 -0.07150 6 3S -0.08474 0.09605 0.10501 -0.00029 -0.00153 7 3PX -0.01497 -0.32276 0.31663 0.07558 -0.00226 8 3PY -0.12392 0.12414 0.05039 -0.00989 -0.00084 9 3PZ 0.00004 0.00001 -0.00003 -0.00036 -0.00314 10 4S 0.99553 -2.08871 -2.28016 -0.00129 0.03621 11 4PX 0.16221 -1.88901 1.64105 6.11968 -0.13072 12 4PY 1.26708 -0.10705 -0.59354 -0.78333 0.02914 13 4PZ -0.00078 0.00072 0.00017 -0.00593 -0.05516 14 5D 0 0.33336 0.36576 0.39730 0.00033 -0.00360 15 5D+1 -0.00219 0.00632 0.00361 0.00252 0.68096 16 5D-1 0.00079 0.00064 -0.00113 -0.00723 -0.14045 17 5D+2 0.15446 -0.20911 -0.09094 0.06418 0.00073 18 5D-2 -0.03959 -0.22679 0.28061 0.24617 -0.00581 19 2 C 1S -0.00681 -0.00292 0.00923 0.00000 -0.00006 20 2S -0.01313 -0.00531 0.01682 -0.00001 -0.00011 21 2PX -0.12198 -0.15580 0.02522 0.10150 -0.00169 22 2PY 0.09276 -0.16003 -0.10701 0.13316 -0.00118 23 2PZ 0.00013 -0.00059 -0.00123 -0.00515 -0.19028 24 3S 0.08553 -0.04305 0.13527 0.00038 -0.00011 25 3PX -0.09987 -0.23430 -0.17514 0.04581 0.00124 26 3PY 0.07606 -0.36793 -0.03877 0.06061 0.00067 27 3PZ -0.00003 -0.00001 -0.00026 -0.00027 -0.00821 28 4S -1.00954 0.92865 -2.94301 0.00046 0.00255 29 4PX 1.01336 -1.58271 -0.07762 3.74050 -0.06508 30 4PY -0.78083 -1.82166 -0.90080 4.90657 -0.09506 31 4PZ 0.00115 -0.00017 -0.00135 -0.00337 -0.14647 32 5D 0 -0.33106 -0.16323 0.51629 0.00035 -0.00335 33 5D+1 -0.00066 0.00537 -0.00016 -0.01338 0.17770 34 5D-1 -0.00107 0.00627 -0.00136 -0.02323 -0.00176 35 5D+2 0.04274 0.32204 0.16076 -0.24476 0.00244 36 5D-2 -0.15450 0.15569 -0.16782 -0.06754 0.00122 37 3 C 1S 0.00685 -0.00943 0.00209 0.00001 0.00006 38 2S 0.01320 -0.01719 0.00379 0.00002 0.00012 39 2PX 0.14205 -0.06048 0.10526 -0.06452 0.00143 40 2PY 0.05858 -0.07971 -0.20222 0.15445 -0.00155 41 2PZ 0.00053 -0.00205 -0.00031 0.00325 -0.11877 42 3S -0.08502 -0.13876 0.03157 -0.00022 -0.00040 43 3PX 0.11599 0.14762 0.14688 -0.02909 -0.00061 44 3PY 0.04726 -0.04503 -0.42062 0.06989 0.00167 45 3PZ 0.00011 -0.00007 0.00017 0.00012 -0.00492 46 4S 0.99729 3.01778 -0.67190 -0.00686 0.00137 47 4PX -1.17315 -0.25075 1.05965 -2.37937 0.03758 48 4PY -0.50379 -0.69577 -2.23409 5.68928 -0.10699 49 4PZ -0.00063 -0.00231 0.00124 0.00011 -0.09129 50 5D 0 0.33313 -0.52781 0.11698 0.00014 0.00294 51 5D+1 -0.00214 0.00103 0.00187 0.00955 0.30881 52 5D-1 0.00047 0.00259 -0.00402 -0.02980 -0.50703 53 5D+2 -0.11286 -0.20382 -0.22354 0.18072 -0.00222 54 5D-2 -0.11259 -0.09351 0.28668 -0.17836 0.00247 55 4 C 1S -0.00687 -0.00652 -0.00712 -0.00001 0.00004 56 2S -0.01325 -0.01188 -0.01295 -0.00003 0.00007 57 2PX -0.01900 -0.17773 0.14775 -0.16616 0.00315 58 2PY -0.15261 -0.03749 -0.08468 0.02116 -0.00020 59 2PZ -0.00003 -0.00171 0.00103 0.00848 0.07137 60 3S 0.08501 -0.09578 -0.10555 0.00032 0.00180 61 3PX -0.01522 -0.32255 0.31669 -0.07514 0.00049 62 3PY -0.12428 0.12413 0.05035 0.00927 -0.00156 63 3PZ 0.00003 -0.00038 0.00030 0.00038 0.00288 64 4S -0.99426 2.08835 2.28135 0.00661 -0.03261 65 4PX 0.17314 -1.89499 1.64767 -6.11694 0.12888 66 4PY 1.26396 -0.10466 -0.59627 0.78409 -0.00533 67 4PZ -0.00033 -0.00212 0.00191 0.00118 0.05497 68 5D 0 -0.33378 -0.36486 -0.39848 -0.00014 0.00413 69 5D+1 -0.00213 0.00647 0.00463 0.00299 0.68084 70 5D-1 0.00002 0.00027 -0.00168 -0.00593 -0.14155 71 5D+2 -0.15424 0.20888 0.09081 0.06411 -0.00379 72 5D-2 0.03922 0.22664 -0.28182 0.24608 -0.00372 73 5 C 1S 0.00682 0.00289 -0.00924 0.00001 0.00009 74 2S 0.01315 0.00526 -0.01684 0.00004 0.00017 75 2PX -0.12212 -0.15548 0.02528 -0.10161 0.00216 76 2PY 0.09278 -0.16032 -0.10731 -0.13308 0.00470 77 2PZ -0.00054 0.00056 0.00142 0.00505 0.19028 78 3S -0.08562 0.04273 -0.13550 -0.00034 0.00011 79 3PX -0.10030 -0.23418 -0.17522 -0.04630 0.00291 80 3PY 0.07595 -0.36778 -0.03907 -0.06001 0.00361 81 3PZ -0.00018 0.00018 0.00004 0.00024 0.00819 82 4S 1.00926 -0.92890 2.94425 -0.00139 -0.00666 83 4PX 1.01955 -1.58450 -0.07260 -3.73846 0.09142 84 4PY -0.77124 -1.82745 -0.89587 -4.90789 0.11428 85 4PZ 0.00058 0.00054 0.00203 0.00583 0.14641 86 5D 0 0.33122 0.16225 -0.51688 0.00020 0.00433 87 5D+1 -0.00178 0.00518 0.00051 -0.01295 0.17756 88 5D-1 0.00008 0.00618 -0.00241 -0.02390 -0.00125 89 5D+2 -0.04293 -0.32199 -0.16163 -0.24491 0.00750 90 5D-2 0.15421 -0.15558 0.16759 -0.06734 0.00127 91 6 C 1S -0.00684 0.00944 -0.00205 -0.00002 -0.00006 92 2S -0.01319 0.01720 -0.00373 -0.00005 -0.00011 93 2PX 0.14178 -0.06037 0.10457 0.06485 -0.00162 94 2PY 0.05890 -0.08005 -0.20222 -0.15446 0.00540 95 2PZ -0.00038 0.00218 0.00058 -0.00333 0.11892 96 3S 0.08498 0.13878 -0.03090 0.00033 0.00026 97 3PX 0.11581 0.14774 0.14685 0.02964 -0.00203 98 3PY 0.04713 -0.04513 -0.42074 -0.07011 0.00497 99 3PZ -0.00007 0.00026 0.00035 -0.00012 0.00517 100 4S -0.99801 -3.01704 0.66968 0.00198 -0.00089 101 4PX -1.17827 -0.24900 1.05460 2.37989 -0.06302 102 4PY -0.49403 -0.70045 -2.22898 -5.69191 0.13601 103 4PZ -0.00032 0.00248 0.00180 0.00219 0.09151 104 5D 0 -0.33296 0.52784 -0.11527 -0.00051 -0.00171 105 5D+1 -0.00047 0.00019 0.00258 0.00977 0.30813 106 5D-1 0.00074 0.00346 -0.00469 -0.02871 -0.50715 107 5D+2 0.11239 0.20459 0.22338 0.18081 -0.00610 108 5D-2 0.11335 0.09285 -0.28607 -0.17843 0.00625 109 7 H 1S -0.23329 0.00728 0.00881 -0.00007 -0.00060 110 2S 0.79098 0.20448 0.22050 0.00040 -0.00012 111 3S -0.03277 -0.10880 -0.11801 0.00008 0.00214 112 4PX -0.02321 0.25738 -0.20857 -0.46422 0.00989 113 4PY -0.17976 0.07757 0.14810 0.05936 -0.00309 114 4PZ 0.00039 -0.00015 -0.00019 0.00133 0.01447 115 8 H 1S 0.23330 -0.00321 0.00990 0.00011 0.00053 116 2S -0.78937 -0.09108 0.28999 0.00004 -0.00410 117 3S 0.03222 0.04864 -0.15315 -0.00021 0.00012 118 4PX -0.14449 0.23168 -0.06145 -0.28409 0.00519 119 4PY 0.11073 0.22336 0.17424 -0.37221 0.00621 120 4PZ 0.00042 0.00027 -0.00021 0.00120 0.03677 121 9 H 1S -0.23328 -0.01068 0.00286 -0.00007 -0.00062 122 2S 0.79025 -0.29509 0.06356 0.00039 0.00362 123 3S -0.03295 0.15677 -0.03523 0.00011 0.00017 124 4PX 0.16709 0.11831 -0.15861 0.18062 -0.00273 125 4PY 0.07114 0.12825 0.28696 -0.43171 0.00686 126 4PZ 0.00105 0.00060 -0.00026 -0.00034 0.02255 127 10 H 1S 0.23325 -0.00732 -0.00860 0.00023 0.00081 128 2S -0.79041 -0.20437 -0.22103 -0.00029 -0.00034 129 3S 0.03324 0.10831 0.11870 0.00012 -0.00165 130 4PX -0.02387 0.25867 -0.20814 0.46405 -0.01005 131 4PY -0.17988 0.07733 0.14801 -0.05986 -0.00069 132 4PZ 0.00034 0.00066 -0.00016 -0.00168 -0.01352 133 11 H 1S -0.23329 0.00327 -0.00974 -0.00020 -0.00054 134 2S 0.78886 0.09089 -0.29037 0.00022 0.00376 135 3S -0.03252 -0.04808 0.15349 -0.00011 -0.00050 136 4PX -0.14531 0.23208 -0.06252 0.28342 -0.00698 137 4PY 0.11005 0.22416 0.17278 0.37275 -0.00957 138 4PZ -0.00042 -0.00002 -0.00031 -0.00098 -0.03704 139 12 H 1S 0.23329 0.01079 -0.00316 0.00019 0.00045 140 2S -0.79066 0.29484 -0.06291 -0.00042 -0.00305 141 3S 0.03268 -0.15679 0.03417 0.00015 -0.00016 142 4PX 0.16701 0.11869 -0.15862 -0.18040 0.00477 143 4PY 0.07086 0.12752 0.28666 0.43204 -0.01124 144 4PZ 0.00010 -0.00063 -0.00027 0.00048 -0.02327 96 97 98 99 100 V V V V V Eigenvalues -- 1.91858 1.97858 1.97868 2.06816 2.06822 1 1 C 1S -0.00005 -0.02371 0.01164 0.00001 0.00004 2 2S -0.00010 -0.05209 0.02557 0.00001 0.00008 3 2PX 0.00877 -0.06251 -0.18949 0.00035 -0.00020 4 2PY -0.00069 0.20594 -0.07272 -0.00008 -0.00053 5 2PZ 0.17833 -0.00012 -0.00008 0.03484 -0.01541 6 3S -0.00072 0.21562 -0.10619 -0.00007 -0.00048 7 3PX 0.00751 -0.02268 -0.11996 0.00053 -0.00038 8 3PY -0.00168 0.24192 -0.10236 -0.00016 -0.00044 9 3PZ 0.00759 -0.00014 -0.00001 -0.01312 0.00592 10 4S 0.02100 1.67538 -0.81805 0.00125 -0.00142 11 4PX 0.26398 -0.07307 -0.37527 0.00561 -0.00202 12 4PY -0.02866 0.73958 -0.30991 -0.00041 0.00026 13 4PZ 0.13720 -0.00032 0.00009 0.01175 -0.00514 14 5D 0 -0.00245 -0.45586 0.22303 -0.00030 0.00087 15 5D+1 0.29253 -0.00037 0.00068 0.02390 -0.15673 16 5D-1 0.09743 -0.00027 0.00078 0.62630 -0.26214 17 5D+2 0.00437 0.07169 -0.17387 -0.00020 -0.00020 18 5D-2 0.01289 -0.24456 -0.41358 0.00074 -0.00032 19 2 C 1S 0.00004 0.00175 -0.02636 0.00001 -0.00004 20 2S 0.00006 0.00385 -0.05793 0.00003 -0.00009 21 2PX 0.00559 0.13193 -0.16512 0.00007 -0.00023 22 2PY 0.00698 0.14943 0.14302 -0.00001 -0.00003 23 2PZ 0.02727 0.00014 -0.00036 -0.00370 0.03797 24 3S 0.00111 -0.01628 0.24007 -0.00002 0.00026 25 3PX 0.00349 0.08600 -0.20443 0.00006 -0.00017 26 3PY 0.00615 0.08326 0.16702 0.00009 -0.00012 27 3PZ 0.00128 -0.00002 -0.00001 0.00151 -0.01429 28 4S -0.02008 -0.11816 1.86116 -0.00260 0.00097 29 4PX 0.16655 0.26896 -0.62224 0.00474 -0.00234 30 4PY 0.20900 0.26770 0.51249 0.00339 -0.00139 31 4PZ 0.02113 0.00013 -0.00056 -0.00122 0.01278 32 5D 0 0.00254 0.03308 -0.50617 0.00037 -0.00195 33 5D+1 0.43211 -0.00061 0.00053 0.13563 -0.53258 34 5D-1 0.59968 -0.00019 -0.00056 0.06445 0.42419 35 5D+2 -0.01341 -0.47364 -0.07090 -0.00041 0.00039 36 5D-2 -0.00523 -0.13976 0.13159 -0.00018 -0.00034 37 3 C 1S 0.00014 0.02191 0.01472 -0.00001 0.00001 38 2S 0.00028 0.04814 0.03234 -0.00002 0.00003 39 2PX -0.00127 0.20988 0.04861 -0.00004 0.00022 40 2PY 0.00659 -0.03207 0.20004 0.00010 0.00024 41 2PZ -0.15117 0.00026 0.00002 -0.03085 -0.02252 42 3S 0.00081 -0.19929 -0.13391 -0.00005 -0.00029 43 3PX -0.00205 0.22739 0.09733 -0.00003 0.00012 44 3PY 0.00251 0.02499 0.14820 0.00012 0.00043 45 3PZ -0.00650 0.00021 0.00005 0.01176 0.00837 46 4S -0.03085 -1.54901 -1.04072 0.00223 0.00098 47 4PX -0.09157 0.69837 0.29302 -0.00361 -0.00024 48 4PY 0.22407 0.07132 0.46487 0.00412 -0.00255 49 4PZ -0.11654 0.00058 0.00020 -0.01036 -0.00764 50 5D 0 0.00627 0.42063 0.28296 0.00037 0.00056 51 5D+1 -0.07371 -0.00056 -0.00006 0.54187 0.32750 52 5D-1 0.46883 0.00048 -0.00084 0.14190 0.25558 53 5D+2 0.00855 -0.11086 0.35010 -0.00033 -0.00009 54 5D-2 -0.00608 0.27922 -0.23097 -0.00039 -0.00029 55 4 C 1S 0.00005 -0.02368 0.01166 0.00000 0.00002 56 2S 0.00009 -0.05203 0.02561 0.00001 0.00005 57 2PX -0.00397 0.06185 0.18967 -0.00028 0.00024 58 2PY 0.00070 -0.20541 0.07314 0.00006 0.00009 59 2PZ -0.17833 0.00014 0.00031 0.03477 -0.01579 60 3S 0.00099 0.21537 -0.10593 -0.00004 -0.00001 61 3PX 0.00134 0.02038 0.12048 -0.00035 0.00018 62 3PY -0.00085 -0.24152 0.10181 0.00017 -0.00007 63 3PZ -0.00756 0.00014 -0.00002 -0.01322 0.00585 64 4S -0.02155 1.67397 -0.82638 -0.00176 -0.00427 65 4PX -0.21496 0.06663 0.37730 -0.00494 0.00372 66 4PY 0.03403 -0.74037 0.31234 0.00127 0.00248 67 4PZ -0.13739 0.00039 0.00028 0.01167 -0.00534 68 5D 0 0.00279 -0.45456 0.22419 0.00024 0.00046 69 5D+1 0.29249 0.00052 -0.00020 -0.02539 0.15778 70 5D-1 0.09697 -0.00070 -0.00076 -0.62594 0.26284 71 5D+2 -0.00028 0.07149 -0.17475 0.00021 -0.00049 72 5D-2 0.00620 -0.24367 -0.41333 0.00093 -0.00054 73 5 C 1S -0.00006 0.00177 -0.02635 0.00002 -0.00002 74 2S -0.00011 0.00389 -0.05789 0.00005 -0.00005 75 2PX -0.00226 -0.13226 0.16542 -0.00019 0.00024 76 2PY -0.00375 -0.14922 -0.14244 0.00024 0.00009 77 2PZ -0.02722 -0.00002 0.00029 -0.00408 0.03806 78 3S -0.00089 -0.01566 0.23994 -0.00027 0.00008 79 3PX 0.00035 -0.08555 0.20552 -0.00022 0.00027 80 3PY 0.00161 -0.08369 -0.16548 0.00017 0.00021 81 3PZ -0.00108 -0.00001 0.00027 0.00144 -0.01432 82 4S 0.02248 -0.13098 1.86065 -0.00080 0.00522 83 4PX -0.12709 -0.27297 0.62614 -0.00251 0.00346 84 4PY -0.17746 -0.26530 -0.50882 -0.00320 0.00073 85 4PZ -0.02086 0.00004 0.00085 -0.00138 0.01283 86 5D 0 -0.00330 0.03468 -0.50559 0.00037 0.00068 87 5D+1 0.43095 0.00000 -0.00040 -0.13656 0.53371 88 5D-1 0.60052 -0.00084 -0.00061 -0.06399 -0.42260 89 5D+2 -0.00741 -0.47326 -0.07030 0.00013 0.00044 90 5D-2 -0.00037 -0.14116 0.13165 -0.00023 0.00087 91 6 C 1S -0.00012 0.02195 0.01469 -0.00004 -0.00002 92 2S -0.00022 0.04823 0.03228 -0.00008 -0.00003 93 2PX 0.00342 -0.21057 -0.04821 0.00013 0.00009 94 2PY -0.00566 0.03243 -0.19948 0.00000 -0.00023 95 2PZ 0.15107 -0.00023 0.00012 -0.03101 -0.02212 96 3S -0.00122 -0.19964 -0.13384 0.00034 0.00021 97 3PX 0.00013 -0.22832 -0.09805 0.00038 0.00020 98 3PY -0.00339 -0.02286 -0.14705 -0.00008 0.00004 99 3PZ 0.00641 0.00001 0.00009 0.01165 0.00845 100 4S 0.02896 -1.55125 -1.03665 0.00174 -0.00135 101 4PX 0.09594 -0.69926 -0.29454 0.00223 -0.00160 102 4PY -0.22238 -0.06525 -0.46129 -0.00390 0.00061 103 4PZ 0.11645 -0.00026 0.00024 -0.01048 -0.00740 104 5D 0 -0.00677 0.42203 0.28176 -0.00083 -0.00017 105 5D+1 -0.07311 -0.00093 0.00030 -0.54265 -0.32736 106 5D-1 0.46926 0.00048 0.00016 -0.14084 -0.25456 107 5D+2 0.00521 -0.11103 0.34948 0.00022 0.00044 108 5D-2 -0.00897 0.27995 -0.23109 -0.00061 -0.00036 109 7 H 1S -0.00023 0.07891 -0.03860 0.00001 -0.00043 110 2S -0.00108 -0.12838 0.06225 -0.00010 0.00065 111 3S 0.00108 0.27066 -0.13271 0.00006 -0.00033 112 4PX -0.02108 -0.11201 -0.26200 -0.00025 0.00001 113 4PY 0.00158 0.11748 -0.01731 0.00013 -0.00055 114 4PZ -0.03405 -0.00008 0.00062 0.44771 -0.20090 115 8 H 1S 0.00042 -0.00572 0.08729 0.00005 -0.00026 116 2S 0.00041 0.00916 -0.14154 -0.00023 0.00037 117 3S -0.00101 -0.01959 0.30067 -0.00032 0.00021 118 4PX -0.01423 0.17950 -0.07922 -0.00033 -0.00027 119 4PY -0.01664 0.22250 0.08372 -0.00032 0.00035 120 4PZ -0.00575 0.00017 -0.00018 -0.04943 0.48818 121 9 H 1S -0.00027 -0.07263 -0.04927 -0.00013 -0.00032 122 2S 0.00497 0.11731 0.08010 0.00040 0.00060 123 3S -0.00162 -0.25035 -0.16817 0.00024 -0.00001 124 4PX 0.00558 0.14915 -0.03301 0.00050 0.00045 125 4PY -0.01716 -0.11131 0.24354 -0.00025 0.00024 126 4PZ 0.02937 -0.00006 0.00014 -0.39788 -0.28728 127 10 H 1S 0.00049 0.07855 -0.03896 -0.00001 0.00002 128 2S 0.00011 -0.12694 0.06304 -0.00003 -0.00031 129 3S -0.00102 0.27053 -0.13348 -0.00009 -0.00059 130 4PX 0.01531 0.11287 0.26135 -0.00005 -0.00005 131 4PY -0.00310 -0.11754 0.01705 0.00006 -0.00021 132 4PZ 0.03437 0.00031 0.00043 0.44765 -0.20130 133 11 H 1S -0.00025 -0.00587 0.08724 -0.00021 0.00003 134 2S -0.00082 0.00957 -0.14095 0.00031 -0.00001 135 3S 0.00132 -0.02057 0.30070 -0.00018 0.00049 136 4PX 0.00817 -0.17883 0.07892 -0.00002 -0.00037 137 4PY 0.01259 -0.22270 -0.08419 0.00031 0.00036 138 4PZ 0.00469 0.00041 -0.00048 -0.05002 0.48804 139 12 H 1S -0.00014 -0.07305 -0.04865 -0.00018 -0.00015 140 2S -0.00369 0.11896 0.07854 0.00020 0.00001 141 3S 0.00131 -0.25056 -0.16766 0.00008 -0.00028 142 4PX -0.00868 -0.14871 0.03339 0.00004 0.00029 143 4PY 0.01647 0.11024 -0.24440 0.00010 -0.00036 144 4PZ -0.02873 -0.00038 0.00019 -0.39800 -0.28716 101 102 103 104 105 V V V V V Eigenvalues -- 2.18768 2.28173 2.28174 2.30164 2.34549 1 1 C 1S -0.00524 -0.00351 -0.00196 -0.00001 -0.00002 2 2S -0.00122 -0.00305 -0.00176 0.00000 -0.00002 3 2PX -0.03109 -0.07532 0.02286 -0.00003 -0.00018 4 2PY -0.24283 -0.37123 -0.21160 -0.00012 -0.00061 5 2PZ -0.00001 0.00015 0.00012 0.15644 0.00047 6 3S -0.05107 -0.09602 -0.05254 -0.00013 -0.00138 7 3PX 0.03438 0.18589 -0.22075 0.00040 -0.00009 8 3PY 0.26718 0.37720 0.24844 0.00050 0.00006 9 3PZ -0.00004 -0.00015 -0.00016 -0.11488 -0.00023 10 4S 0.04339 -0.30693 -0.16095 0.00112 0.01371 11 4PX -0.00840 -0.21283 0.45008 0.00045 -0.00056 12 4PY -0.06967 0.23565 0.06011 0.00057 0.00765 13 4PZ 0.00025 -0.00017 0.00039 0.05196 0.00017 14 5D 0 0.00566 -0.12798 -0.07113 -0.00052 -0.00238 15 5D+1 0.00007 0.00015 0.00033 0.06788 -0.67373 16 5D-1 -0.00047 -0.00007 0.00002 0.51609 0.08755 17 5D+2 -0.05433 -0.03513 -0.07703 -0.00030 0.00139 18 5D-2 0.01412 0.10980 -0.16443 -0.00056 -0.00092 19 2 C 1S -0.00523 -0.00013 -0.00402 0.00003 0.00003 20 2S -0.00120 -0.00017 -0.00354 0.00006 0.00005 21 2PX 0.19491 -0.02663 0.34339 0.00028 -0.00015 22 2PY -0.14851 -0.05099 -0.25984 -0.00031 0.00003 23 2PZ 0.00039 0.00000 0.00046 -0.15647 -0.00040 24 3S -0.05110 -0.00230 -0.10911 -0.00014 0.00031 25 3PX -0.21429 0.16448 -0.36415 -0.00103 0.00107 26 3PY 0.16314 0.23371 0.27032 0.00047 0.00136 27 3PZ -0.00037 0.00001 -0.00045 0.11486 0.00013 28 4S 0.04190 -0.00157 -0.34814 -0.00451 -0.00768 29 4PX 0.05697 -0.30956 -0.18042 0.00188 0.00239 30 4PY -0.04263 -0.39240 0.15359 -0.00179 -0.00299 31 4PZ -0.00033 0.00000 -0.00065 -0.05197 -0.00015 32 5D 0 0.00584 -0.00432 -0.14626 0.00146 0.00104 33 5D+1 -0.00004 0.00009 0.00041 0.41499 -0.41075 34 5D-1 0.00000 -0.00011 -0.00015 -0.31409 -0.54122 35 5D+2 0.01485 -0.19557 0.02301 0.00006 0.00170 36 5D-2 -0.05434 -0.05474 -0.06652 0.00035 -0.00019 37 3 C 1S -0.00524 0.00347 -0.00207 -0.00003 0.00001 38 2S -0.00124 0.00308 -0.00178 -0.00004 0.00001 39 2PX 0.22600 -0.32836 0.22509 0.00013 -0.00007 40 2PY 0.09439 -0.16894 0.04149 0.00013 -0.00059 41 2PZ 0.00005 -0.00011 0.00010 0.15642 0.00073 42 3S -0.05098 0.09327 -0.05685 -0.00011 0.00065 43 3PX -0.24838 0.30023 -0.31066 -0.00078 0.00070 44 3PY -0.10391 0.28696 0.13370 -0.00050 -0.00161 45 3PZ -0.00010 0.00013 -0.00023 -0.11488 -0.00025 46 4S 0.04374 0.29148 -0.18473 0.00439 -0.00679 47 4PX 0.06452 0.28851 0.05353 -0.00213 0.00491 48 4PY 0.02745 -0.16010 -0.44141 -0.00106 -0.00216 49 4PZ 0.00041 0.00006 0.00041 0.05196 0.00031 50 5D 0 0.00552 0.12588 -0.07533 -0.00112 0.00160 51 5D+1 0.00022 -0.00018 0.00024 -0.48060 0.26059 52 5D-1 0.00005 0.00005 -0.00010 -0.19917 -0.62718 53 5D+2 0.03925 0.03352 0.14958 0.00034 0.00042 54 5D-2 0.04030 -0.11678 -0.09557 -0.00036 0.00101 55 4 C 1S -0.00525 0.00355 0.00191 0.00001 -0.00005 56 2S -0.00125 0.00316 0.00164 0.00004 -0.00010 57 2PX 0.03107 -0.07485 0.02302 0.00000 0.00015 58 2PY 0.24302 -0.37124 -0.21150 0.00019 0.00028 59 2PZ 0.00008 0.00004 0.00011 -0.15645 -0.00058 60 3S -0.05089 0.09561 0.05255 -0.00025 -0.00067 61 3PX -0.03426 0.18727 -0.22006 -0.00058 0.00001 62 3PY -0.26718 0.37704 0.24723 -0.00027 -0.00007 63 3PZ -0.00003 0.00005 -0.00025 0.11492 0.00020 64 4S 0.04329 0.30154 0.17174 -0.00184 0.01505 65 4PX 0.00811 -0.20980 0.44963 -0.00029 0.00089 66 4PY 0.06969 0.23737 0.05475 0.00112 -0.00750 67 4PZ -0.00024 -0.00005 0.00032 -0.05197 -0.00021 68 5D 0 0.00550 0.12895 0.06949 0.00007 -0.00122 69 5D+1 -0.00015 -0.00027 -0.00027 0.06450 0.67377 70 5D-1 -0.00041 0.00001 -0.00014 0.51613 -0.08478 71 5D+2 -0.05438 0.03473 0.07820 -0.00019 0.00076 72 5D-2 0.01438 -0.10994 0.16380 0.00003 -0.00021 73 5 C 1S -0.00524 0.00006 0.00405 0.00001 0.00001 74 2S -0.00123 0.00001 0.00360 0.00003 0.00001 75 2PX -0.19495 -0.02676 0.34316 -0.00012 0.00011 76 2PY 0.14857 -0.05094 -0.26012 0.00016 -0.00040 77 2PZ -0.00034 0.00000 0.00024 0.15650 0.00038 78 3S -0.05091 0.00239 0.10881 -0.00015 0.00073 79 3PX 0.21400 0.16519 -0.36465 0.00026 -0.00094 80 3PY -0.16311 0.23283 0.26894 0.00002 -0.00121 81 3PZ 0.00031 -0.00007 -0.00032 -0.11488 -0.00017 82 4S 0.04175 0.01438 0.34584 -0.00108 -0.00693 83 4PX -0.05698 -0.30475 -0.18225 -0.00042 -0.00339 84 4PY 0.04324 -0.39583 0.15149 0.00058 0.00186 85 4PZ 0.00002 -0.00005 -0.00017 0.05199 0.00010 86 5D 0 0.00572 0.00228 0.14679 0.00099 0.00079 87 5D+1 -0.00047 -0.00017 -0.00056 0.41280 0.41276 88 5D-1 0.00047 0.00006 0.00030 -0.31662 0.53956 89 5D+2 0.01516 0.19513 -0.02319 -0.00021 0.00013 90 5D-2 -0.05451 0.05608 0.06663 0.00029 -0.00055 91 6 C 1S -0.00524 -0.00341 0.00211 0.00000 0.00003 92 2S -0.00123 -0.00296 0.00190 0.00001 0.00005 93 2PX -0.22596 -0.32820 0.22493 -0.00022 0.00010 94 2PY -0.09443 -0.16938 0.04174 -0.00015 0.00016 95 2PZ 0.00004 -0.00004 0.00010 -0.15641 -0.00050 96 3S -0.05108 -0.09361 0.05664 -0.00042 0.00035 97 3PX 0.24857 0.30060 -0.31188 -0.00033 -0.00075 98 3PY 0.10411 0.28567 0.13439 0.00018 0.00170 99 3PZ 0.00001 -0.00007 -0.00022 0.11486 0.00025 100 4S 0.04366 -0.29957 0.17580 0.00181 -0.00736 101 4PX -0.06436 0.28600 0.04864 0.00086 -0.00433 102 4PY -0.02704 -0.16286 -0.44250 0.00049 0.00100 103 4PZ -0.00006 0.00034 0.00017 -0.05195 -0.00018 104 5D 0 0.00564 -0.12453 0.07662 -0.00045 0.00019 105 5D+1 0.00068 0.00008 -0.00001 -0.47952 -0.26327 106 5D-1 0.00037 -0.00020 0.00007 -0.20235 0.62629 107 5D+2 0.03936 -0.03280 -0.14899 0.00017 0.00075 108 5D-2 0.03994 0.11692 0.09661 -0.00008 -0.00052 109 7 H 1S -0.55023 -0.60966 -0.33430 -0.00065 -0.00106 110 2S 0.75256 0.95375 0.52320 0.00121 0.00175 111 3S -0.30565 -0.28540 -0.15589 -0.00026 0.00045 112 4PX 0.00116 0.02766 -0.05529 -0.00043 -0.00016 113 4PY 0.00995 -0.02087 -0.00252 0.00050 -0.00075 114 4PZ -0.00037 0.00006 0.00001 0.33531 0.00074 115 8 H 1S -0.55044 -0.01604 -0.69497 -0.00052 0.00034 116 2S 0.75262 0.02523 1.08705 0.00113 -0.00046 117 3S -0.30607 -0.00703 -0.32517 -0.00066 -0.00037 118 4PX -0.00783 0.03793 0.01463 -0.00034 -0.00088 119 4PY 0.00598 0.04893 -0.01352 0.00031 -0.00046 120 4PZ 0.00022 -0.00008 0.00004 -0.33523 -0.00089 121 9 H 1S -0.55039 0.59415 -0.36089 -0.00098 0.00051 122 2S 0.75242 -0.92904 0.56421 0.00188 -0.00084 123 3S -0.30576 0.27773 -0.16916 -0.00013 -0.00023 124 4PX -0.00884 -0.02835 -0.01105 -0.00062 -0.00069 125 4PY -0.00393 0.02288 0.05325 0.00012 0.00067 126 4PZ -0.00027 0.00003 -0.00009 0.33510 0.00091 127 10 H 1S -0.55054 0.60967 0.33361 -0.00041 -0.00071 128 2S 0.75269 -0.95326 -0.52161 0.00065 0.00098 129 3S -0.30590 0.28512 0.15643 -0.00037 0.00070 130 4PX -0.00120 0.02680 -0.05557 0.00023 -0.00007 131 4PY -0.00959 -0.02133 -0.00255 -0.00034 0.00084 132 4PZ 0.00037 -0.00001 0.00016 -0.33505 -0.00104 133 11 H 1S -0.55053 0.01515 0.69491 -0.00025 0.00054 134 2S 0.75216 -0.02367 -1.08598 0.00040 -0.00090 135 3S -0.30622 0.00752 0.32522 -0.00027 -0.00022 136 4PX 0.00752 0.03786 0.01574 -0.00016 0.00092 137 4PY -0.00567 0.04909 -0.01326 -0.00006 0.00057 138 4PZ -0.00048 -0.00005 -0.00021 0.33506 0.00092 139 12 H 1S -0.55038 -0.59401 0.36106 -0.00052 0.00036 140 2S 0.75291 0.92928 -0.56520 0.00045 -0.00051 141 3S -0.30567 -0.27814 0.16840 -0.00009 -0.00034 142 4PX 0.00927 -0.02798 -0.01094 -0.00021 0.00087 143 4PY 0.00383 0.02362 0.05285 -0.00034 -0.00106 144 4PZ 0.00050 -0.00002 0.00008 -0.33527 -0.00080 106 107 108 109 110 V V V V V Eigenvalues -- 2.37402 2.37407 2.55305 2.57374 2.58465 1 1 C 1S 0.00870 0.01331 0.00000 0.02362 0.00165 2 2S 0.01403 0.02148 0.00001 0.06174 0.00581 3 2PX -0.07351 0.07182 0.00005 0.01878 0.20123 4 2PY 0.09649 0.12356 -0.00017 0.14674 -0.08631 5 2PZ 0.00041 -0.00046 -0.52941 0.00010 0.00019 6 3S 0.12998 0.19883 -0.00065 -0.47182 -0.06818 7 3PX -0.44722 0.26564 -0.00041 0.05283 -0.00521 8 3PY -0.03763 -0.17878 0.00116 0.41294 -0.20813 9 3PZ -0.00048 0.00050 0.53686 -0.00035 0.00000 10 4S -2.26376 -3.47361 0.01259 -0.49137 0.54994 11 4PX -0.62892 0.09890 0.00066 0.04081 -0.78133 12 4PY -1.05684 -1.75505 0.00745 0.32142 -0.10364 13 4PZ 0.00089 0.00054 -0.15444 0.00006 -0.00035 14 5D 0 0.35044 0.53668 -0.00042 0.18775 -0.05238 15 5D+1 -0.00113 -0.00227 -0.00764 0.00005 -0.00007 16 5D-1 0.00111 0.00000 -0.05942 0.00015 0.00035 17 5D+2 -0.17330 -0.33469 0.00082 0.32103 0.15940 18 5D-2 0.17366 0.00260 -0.00024 -0.08365 0.74899 19 2 C 1S -0.01588 0.00086 0.00001 0.02363 0.00380 20 2S -0.02563 0.00140 0.00004 0.06175 0.01361 21 2PX 0.12180 -0.06808 0.00039 -0.11750 0.12809 22 2PY -0.09986 -0.07570 -0.00024 0.08985 -0.06930 23 2PZ 0.00042 -0.00005 -0.52937 0.00031 -0.00010 24 3S -0.23727 0.01266 0.00008 -0.47245 -0.16379 25 3PX -0.15372 -0.30976 -0.00016 -0.33152 0.39711 26 3PY 0.08123 -0.42173 0.00029 0.25255 -0.30051 27 3PZ -0.00028 0.00004 0.53681 -0.00105 0.00055 28 4S 4.14214 -0.23085 -0.01105 -0.48205 1.37634 29 4PX -1.65758 -0.26439 0.00482 -0.26236 0.31682 30 4PY 1.22574 -0.53450 -0.00361 0.19930 -0.34390 31 4PZ -0.00104 0.00010 -0.15442 -0.00040 0.00089 32 5D 0 -0.64030 0.03489 0.00033 0.18724 -0.12936 33 5D+1 -0.00004 -0.00156 0.04758 -0.00088 0.00079 34 5D-1 -0.00149 -0.00188 -0.03632 0.00067 -0.00049 35 5D+2 -0.10973 -0.13788 0.00009 -0.08876 -0.05760 36 5D-2 0.37104 -0.06006 -0.00028 0.32043 -0.09907 37 3 C 1S 0.00715 -0.01419 0.00001 0.02366 0.00223 38 2S 0.01156 -0.02288 0.00002 0.06182 0.00796 39 2PX -0.10038 0.11206 0.00017 -0.13633 0.14994 40 2PY 0.05641 0.09649 -0.00017 -0.05670 -0.14130 41 2PZ 0.00021 0.00010 -0.52946 -0.00007 0.00060 42 3S 0.10718 -0.21240 -0.00055 -0.47262 -0.09469 43 3PX -0.10897 -0.23244 -0.00096 -0.38375 0.27608 44 3PY 0.46088 0.15897 0.00009 -0.16068 0.09576 45 3PZ -0.00042 -0.00027 0.53695 -0.00026 -0.00025 46 4S -1.87713 3.70163 0.01073 -0.48991 0.78408 47 4PX 0.65834 -1.80176 -0.00573 -0.29885 -0.00467 48 4PY 0.84246 -0.46899 -0.00231 -0.12567 0.73668 49 4PZ 0.00070 -0.00141 -0.15447 -0.00006 -0.00032 50 5D 0 0.28949 -0.57208 -0.00004 0.18761 -0.07475 51 5D+1 -0.00020 0.00137 0.05530 -0.00016 -0.00065 52 5D-1 -0.00144 -0.00231 0.02307 -0.00008 0.00015 53 5D+2 0.02829 -0.29062 -0.00053 -0.23262 -0.45303 54 5D-2 0.21836 -0.19861 -0.00052 -0.23686 0.51363 55 4 C 1S 0.00866 0.01331 0.00002 0.02367 -0.00157 56 2S 0.01397 0.02145 0.00005 0.06185 -0.00561 57 2PX 0.07363 -0.07187 0.00042 -0.01875 0.20143 58 2PY -0.09594 -0.12406 -0.00026 -0.14643 -0.08599 59 2PZ 0.00011 -0.00012 -0.52947 0.00038 0.00001 60 3S 0.12995 0.19981 0.00021 -0.47331 0.06683 61 3PX 0.44665 -0.26513 -0.00002 -0.05301 -0.00571 62 3PY 0.03703 0.17902 0.00061 -0.41318 -0.20797 63 3PZ 0.00024 -0.00016 0.53698 -0.00037 0.00023 64 4S -2.27117 -3.47560 -0.01295 -0.48203 -0.55305 65 4PX 0.63211 -0.09505 0.00113 -0.04177 -0.78266 66 4PY 1.05732 1.75707 0.00705 -0.32622 -0.10216 67 4PZ -0.00009 -0.00079 -0.15446 0.00001 -0.00057 68 5D 0 0.35020 0.53721 0.00059 0.18725 0.05323 69 5D+1 0.00077 0.00081 0.00764 -0.00002 0.00002 70 5D-1 0.00011 -0.00006 0.05945 -0.00016 -0.00049 71 5D+2 -0.17335 -0.33449 -0.00052 0.32179 -0.16052 72 5D-2 0.17482 0.00312 0.00012 -0.08410 -0.74883 73 5 C 1S -0.01588 0.00087 -0.00001 0.02367 -0.00382 74 2S -0.02563 0.00139 -0.00001 0.06184 -0.01364 75 2PX -0.12177 0.06861 0.00021 0.11766 0.12830 76 2PY 0.09952 0.07520 -0.00036 -0.08933 -0.06924 77 2PZ 0.00013 -0.00037 -0.52940 0.00042 0.00008 78 3S -0.23728 0.01320 -0.00074 -0.47280 0.16401 79 3PX 0.15323 0.30938 0.00049 0.33109 0.39774 80 3PY -0.08113 0.42199 -0.00050 -0.25227 -0.29918 81 3PZ -0.00005 0.00018 0.53686 0.00003 0.00053 82 4S 4.14574 -0.22112 0.01436 -0.48960 -1.37545 83 4PX 1.66147 0.26615 0.00693 0.25886 0.31581 84 4PY -1.22218 0.53282 -0.00553 -0.19689 -0.34447 85 4PZ 0.00203 -0.00058 -0.15443 0.00052 0.00025 86 5D 0 -0.64042 0.03495 -0.00090 0.18758 0.12913 87 5D+1 0.00117 0.00061 -0.04762 -0.00046 -0.00021 88 5D-1 0.00019 0.00166 0.03626 0.00037 -0.00001 89 5D+2 -0.11146 -0.13823 -0.00027 -0.08762 0.05778 90 5D-2 0.37053 -0.05964 0.00085 0.32063 0.09955 91 6 C 1S 0.00721 -0.01417 0.00003 0.02363 -0.00226 92 2S 0.01164 -0.02285 0.00006 0.06175 -0.00801 93 2PX 0.10102 -0.11183 0.00039 0.13630 0.15046 94 2PY -0.05606 -0.09668 -0.00028 0.05724 -0.14096 95 2PZ 0.00020 -0.00010 -0.52942 0.00027 -0.00008 96 3S 0.10756 -0.21203 0.00036 -0.47245 0.09500 97 3PX 0.10799 0.23249 -0.00093 0.38458 0.27744 98 3PY -0.46128 -0.15938 -0.00013 0.16050 0.09534 99 3PZ 0.00024 0.00023 0.53687 -0.00016 0.00023 100 4S -1.87467 3.69939 -0.01499 -0.48251 -0.78295 101 4PX -0.66123 1.80093 -0.00783 0.30334 -0.00159 102 4PY -0.84164 0.46465 -0.00346 0.12670 0.73580 103 4PZ 0.00036 0.00019 -0.15444 0.00004 -0.00036 104 5D 0 0.29018 -0.57167 0.00100 0.18729 0.07454 105 5D+1 -0.00093 -0.00007 -0.05528 -0.00004 0.00033 106 5D-1 0.00155 0.00097 -0.02312 -0.00002 -0.00016 107 5D+2 0.02851 -0.29087 0.00054 -0.23395 0.45187 108 5D-2 0.21788 -0.19852 0.00049 -0.23589 -0.51429 109 7 H 1S 0.19136 0.29173 -0.00064 -0.18924 0.05949 110 2S -0.30533 -0.46543 0.00254 1.17879 -0.39129 111 3S -0.05572 -0.08579 0.00078 0.03793 -0.06477 112 4PX 0.29953 -0.17211 0.00025 0.09876 0.38468 113 4PY 0.04804 0.15442 0.00057 0.77030 -0.25368 114 4PZ 0.00035 -0.00035 -0.06944 -0.00041 0.00037 115 8 H 1S -0.34862 0.01830 0.00001 -0.18979 0.14293 116 2S 0.55596 -0.02950 -0.00064 1.18054 -0.94005 117 3S 0.10198 -0.00605 -0.00068 0.03848 -0.15256 118 4PX 0.13584 0.20383 -0.00012 -0.61759 0.41596 119 4PY -0.08030 0.28130 0.00001 0.47141 -0.26142 120 4PZ -0.00015 0.00008 -0.06940 -0.00061 0.00030 121 9 H 1S 0.15677 -0.31165 -0.00029 -0.18962 0.08437 122 2S -0.25015 0.49709 0.00185 1.17908 -0.55177 123 3S -0.04643 0.09133 0.00078 0.03767 -0.09029 124 4PX 0.05454 0.18986 -0.00049 -0.71659 0.40656 125 4PY -0.31369 -0.09078 -0.00032 -0.29927 -0.23083 126 4PZ 0.00030 0.00018 -0.06945 -0.00061 0.00061 127 10 H 1S 0.18994 0.29290 0.00039 -0.19007 -0.05994 128 2S -0.30324 -0.46712 -0.00139 1.18075 0.39241 129 3S -0.05634 -0.08556 -0.00074 0.03813 0.06450 130 4PX -0.30014 0.17150 -0.00009 -0.09908 0.38478 131 4PY -0.04775 -0.15464 -0.00009 -0.77066 -0.25445 132 4PZ -0.00025 0.00024 -0.06947 0.00023 0.00023 133 11 H 1S -0.34821 0.01982 -0.00096 -0.18995 -0.14291 134 2S 0.55495 -0.03129 0.00316 1.18010 0.93954 135 3S 0.10221 -0.00501 0.00079 0.03778 0.15241 136 4PX -0.13676 -0.20361 0.00059 0.61840 0.41606 137 4PY 0.07959 -0.28160 -0.00037 -0.47042 -0.26104 138 4PZ -0.00006 -0.00014 -0.06939 0.00066 0.00050 139 12 H 1S 0.15874 -0.31100 0.00082 -0.18966 -0.08443 140 2S -0.25346 0.49617 -0.00225 1.18011 0.55367 141 3S -0.04609 0.09123 -0.00081 0.03838 0.09080 142 4PX -0.05425 -0.18975 -0.00002 0.71647 0.40735 143 4PY 0.31336 0.09130 0.00000 0.30013 -0.23003 144 4PZ -0.00036 0.00011 -0.06944 0.00017 0.00018 111 112 113 114 115 V V V V V Eigenvalues -- 2.58478 2.61833 2.61837 2.64011 2.64776 1 1 C 1S 0.00342 -0.01979 -0.03168 0.00283 -0.02745 2 2S 0.01231 -0.05165 -0.08273 0.00091 -0.06516 3 2PX -0.11134 -0.10303 0.04737 -0.00519 -0.00681 4 2PY -0.11847 -0.04734 -0.10355 -0.03673 -0.03124 5 2PZ 0.00044 -0.00004 -0.00031 -0.00068 0.00019 6 3S -0.14834 0.45850 0.73542 0.51159 0.56069 7 3PX -0.06710 0.19903 -0.20558 -0.07938 0.02466 8 3PY -0.45179 -0.31556 -0.43836 -0.62369 -0.67416 9 3PZ -0.00023 0.00024 0.00054 0.00101 0.00013 10 4S 1.25784 0.30337 0.46822 -11.89714 -0.05325 11 4PX 0.28945 -0.22451 -0.00303 -0.92272 -0.45912 12 4PY -0.46459 -0.47328 -0.81298 -7.23176 -1.91266 13 4PZ 0.00041 -0.00008 0.00022 0.00373 0.00039 14 5D 0 -0.11849 -0.08384 -0.13331 0.37051 -0.19869 15 5D+1 0.00056 -0.00024 -0.00036 0.00166 0.00012 16 5D-1 -0.00019 -0.00012 -0.00028 0.00007 -0.00032 17 5D+2 -0.15922 -0.32345 -0.41003 -0.61576 -0.30679 18 5D-2 -0.31704 -0.11727 0.23354 0.15878 0.10994 19 2 C 1S 0.00045 -0.03732 0.00120 -0.00293 -0.00615 20 2S 0.00150 -0.09745 0.00318 -0.00115 -0.01461 21 2PX -0.12822 0.09300 0.06592 -0.02980 0.00840 22 2PY -0.19154 -0.06586 0.09285 0.02212 -0.00111 23 2PZ 0.00008 -0.00024 0.00005 0.00340 0.00001 24 3S -0.01660 0.86566 -0.02905 -0.50933 0.12802 25 3PX 0.02464 0.42664 -0.18412 -0.49837 0.01856 26 3PY -0.04871 -0.33701 -0.21147 0.37987 -0.22660 27 3PZ -0.00004 0.00120 -0.00009 -0.00433 0.00018 28 4S 0.12212 0.56317 -0.00752 11.89799 -0.06915 29 4PX 0.54619 0.75611 0.08575 -5.79025 0.57408 30 4PY 0.63207 -0.56908 0.17320 4.41965 -0.02767 31 4PZ 0.00010 0.00107 0.00003 -0.00253 0.00055 32 5D 0 -0.01143 -0.15773 0.00439 -0.37110 -0.04295 33 5D+1 0.00055 0.00089 -0.00024 -0.00006 0.00035 34 5D-1 0.00068 -0.00077 -0.00022 0.00103 -0.00005 35 5D+2 0.80824 0.13409 -0.22832 -0.16705 0.06297 36 5D-2 0.21310 -0.51922 -0.04356 0.61268 -0.06133 37 3 C 1S -0.00309 -0.01756 0.03298 0.00305 0.03359 38 2S -0.01105 -0.04587 0.08609 0.00140 0.07978 39 2PX -0.05699 0.01113 -0.11305 0.03409 -0.03579 40 2PY -0.16956 0.11328 0.01071 0.01427 -0.01648 41 2PZ -0.00070 -0.00013 0.00029 0.00250 -0.00014 42 3S 0.13205 0.40721 -0.76395 0.50733 -0.69090 43 3PX -0.37151 0.33122 -0.39058 0.57248 -0.77907 44 3PY -0.17136 -0.12921 -0.30591 0.24172 -0.26226 45 3PZ 0.00043 0.00039 -0.00062 -0.00246 -0.00038 46 4S -1.10532 0.27179 -0.50854 -11.89428 0.16693 47 4PX -0.54664 0.34305 -0.79777 6.70587 -2.22259 48 4PY 0.29925 0.32625 -0.23656 2.80636 -1.05359 49 4PZ -0.00047 -0.00005 -0.00023 0.00636 -0.00153 50 5D 0 0.10482 -0.07443 0.13967 0.37226 0.24017 51 5D+1 -0.00029 0.00029 -0.00036 -0.00084 -0.00041 52 5D-1 0.00053 0.00019 -0.00044 -0.00070 -0.00008 53 5D+2 -0.39570 0.32224 -0.25422 0.44489 -0.27175 54 5D-2 0.29491 0.03685 -0.41288 0.45056 -0.29779 55 4 C 1S -0.00346 0.01973 0.03171 -0.00324 -0.02744 56 2S -0.01236 0.05154 0.08279 -0.00187 -0.06517 57 2PX -0.11142 -0.10311 0.04747 -0.00490 0.00673 58 2PY -0.11860 -0.04755 -0.10337 -0.03649 0.03159 59 2PZ -0.00001 -0.00002 0.00028 -0.00041 -0.00028 60 3S 0.14834 -0.45769 -0.73549 -0.50316 0.56486 61 3PX -0.06865 0.19903 -0.20552 -0.07926 -0.02347 62 3PY -0.45193 -0.31490 -0.43851 -0.61279 0.67875 63 3PZ 0.00008 0.00010 -0.00039 0.00062 0.00021 64 4S -1.25411 -0.30389 -0.46935 11.89253 -0.14534 65 4PX 0.28887 -0.22447 -0.00340 -0.92709 0.46783 66 4PY -0.46566 -0.47189 -0.81413 -7.19970 1.96917 67 4PZ 0.00013 -0.00015 0.00023 0.00223 -0.00024 68 5D 0 0.11780 0.08338 0.13379 -0.37319 -0.19592 69 5D+1 -0.00045 0.00007 0.00027 0.00243 -0.00011 70 5D-1 0.00012 0.00012 -0.00020 -0.00036 0.00020 71 5D+2 0.16017 0.32371 0.40964 0.61066 -0.31148 72 5D-2 0.31671 0.11749 -0.23389 -0.15832 0.11143 73 5 C 1S -0.00029 0.03732 -0.00132 0.00315 -0.00615 74 2S -0.00115 0.09743 -0.00343 0.00168 -0.01457 75 2PX -0.12819 0.09283 0.06589 -0.02956 -0.00810 76 2PY -0.19167 -0.06591 0.09296 0.02235 0.00093 77 2PZ 0.00010 0.00039 -0.00012 -0.00387 -0.00007 78 3S 0.01441 -0.86538 0.03066 0.50473 0.12380 79 3PX 0.02533 0.42642 -0.18509 -0.49335 -0.01457 80 3PY -0.04924 -0.33693 -0.21052 0.37659 0.22338 81 3PZ 0.00001 0.00013 0.00014 0.00374 -0.00006 82 4S -0.12941 -0.56274 0.00957 -11.89607 0.02593 83 4PX 0.54583 0.75782 0.08305 -5.78338 -0.52764 84 4PY 0.63272 -0.56856 0.17529 4.39974 -0.00805 85 4PZ -0.00001 0.00096 -0.00001 -0.00737 -0.00076 86 5D 0 0.01321 0.15769 -0.00560 0.37263 -0.04546 87 5D+1 -0.00046 -0.00053 0.00014 0.00045 -0.00009 88 5D-1 -0.00077 0.00056 0.00031 0.00131 -0.00021 89 5D+2 -0.80799 -0.13483 0.22857 0.16772 0.06167 90 5D-2 -0.21409 0.51907 0.04330 -0.60969 -0.05628 91 6 C 1S 0.00308 0.01756 -0.03296 -0.00291 0.03360 92 2S 0.01102 0.04583 -0.08608 -0.00107 0.07977 93 2PX -0.05644 0.01055 -0.11343 0.03394 0.03549 94 2PY -0.16936 0.11294 0.01058 0.01449 0.01644 95 2PZ 0.00028 -0.00008 -0.00011 -0.00456 -0.00015 96 3S -0.13196 -0.40689 0.76413 -0.51028 -0.68687 97 3PX -0.37159 0.33110 -0.39064 0.57767 0.77500 98 3PY -0.16979 -0.12949 -0.30602 0.24014 0.25992 99 3PZ -0.00018 0.00026 0.00005 0.00518 0.00033 100 4S 1.10647 -0.27023 0.50939 11.89776 0.07446 101 4PX -0.54629 0.34234 -0.79661 6.71906 2.17022 102 4PY 0.30131 0.32635 -0.23667 2.80771 1.03033 103 4PZ -0.00047 -0.00006 -0.00026 -0.00190 0.00042 104 5D 0 -0.10504 0.07440 -0.13958 -0.37136 0.24294 105 5D+1 0.00070 -0.00027 -0.00011 0.00009 -0.00016 106 5D-1 -0.00021 0.00008 0.00032 -0.00177 -0.00028 107 5D+2 0.39503 -0.32127 0.25440 -0.44632 -0.26845 108 5D-2 -0.29604 -0.03623 0.41329 -0.45175 -0.29418 109 7 H 1S 0.13142 0.17315 0.27747 0.48980 0.41971 110 2S -0.86316 -0.96256 -1.54330 -2.08918 -2.05326 111 3S -0.13985 -0.05947 -0.09644 -0.88109 -0.25171 112 4PX -0.24335 -0.27608 0.02064 -0.05041 -0.13565 113 4PY -0.42163 -0.50653 -0.87100 -0.38539 -0.84312 114 4PZ 0.00021 0.00026 0.00031 -0.00001 0.00044 115 8 H 1S 0.01417 0.32714 -0.01112 -0.48838 0.09636 116 2S -0.09227 -1.81881 0.06100 2.08262 -0.47026 117 3S -0.01561 -0.11316 0.00434 0.88015 -0.06068 118 4PX -0.23636 0.81259 0.12353 -0.30732 0.17920 119 4PY -0.38804 -0.60870 0.21736 0.23364 -0.08364 120 4PZ 0.00008 0.00103 -0.00004 -0.00079 0.00022 121 9 H 1S -0.11811 0.15372 -0.28819 0.48551 -0.51824 122 2S 0.77391 -0.85572 1.60234 -2.06872 2.53184 123 3S 0.12604 -0.05306 0.09878 -0.87829 0.31574 124 4PX -0.26889 0.35693 -0.87074 0.35130 -0.96145 125 4PY -0.39873 0.38581 -0.23795 0.14649 -0.41803 126 4PZ -0.00037 0.00020 -0.00052 0.00055 -0.00057 127 10 H 1S -0.13181 -0.17276 -0.27788 -0.48313 0.42375 128 2S 0.86381 0.96062 1.54449 2.05726 -2.06987 129 3S 0.13975 0.05935 0.09657 0.87710 -0.25859 130 4PX -0.24328 -0.27639 0.02031 -0.04849 0.13631 131 4PY -0.42184 -0.50555 -0.87125 -0.37238 0.84615 132 4PZ 0.00000 -0.00007 0.00021 -0.00041 -0.00005 133 11 H 1S -0.01492 -0.32754 0.01199 0.48485 0.09251 134 2S 0.09629 1.81913 -0.06606 -2.06506 -0.45289 135 3S 0.01564 0.11320 -0.00484 -0.87775 -0.05352 136 4PX -0.23420 0.81266 0.12146 -0.30185 -0.17642 137 4PY -0.38962 -0.60820 0.21889 0.22913 0.08142 138 4PZ 0.00009 0.00089 -0.00015 -0.00092 -0.00008 139 12 H 1S 0.11797 -0.15374 0.28775 -0.48796 -0.51412 140 2S -0.77262 0.85447 -1.60204 2.08067 2.51524 141 3S -0.12587 0.05280 -0.09881 0.87994 0.30889 142 4PX -0.26785 0.35609 -0.87122 0.35527 0.95871 143 4PY -0.39883 0.38525 -0.23773 0.14919 0.41674 144 4PZ 0.00021 -0.00009 -0.00021 -0.00041 0.00010 116 117 118 119 120 V V V V V Eigenvalues -- 2.64779 2.68675 2.70970 2.70973 2.83674 1 1 C 1S -0.02298 -0.03904 -0.00009 0.00006 0.00001 2 2S -0.05455 -0.08235 -0.00017 0.00011 0.00002 3 2PX 0.00005 -0.00914 -0.00008 -0.00016 0.00108 4 2PY -0.02689 -0.07287 0.00031 0.00045 -0.00059 5 2PZ 0.00061 0.00015 0.24357 0.69229 -0.74659 6 3S 0.46909 0.36375 -0.00267 0.00058 -0.00009 7 3PX -0.20125 -0.03315 0.00082 0.00010 0.00053 8 3PY -0.53477 -0.25607 0.00291 -0.00094 0.00040 9 3PZ -0.00055 -0.00006 -0.29492 -0.83799 0.97981 10 4S -0.03409 3.63396 0.08311 -0.03053 -0.00207 11 4PX 0.04458 0.05614 0.00620 -0.00227 -0.00431 12 4PY -1.64825 0.45091 0.04740 -0.01445 -0.00119 13 4PZ 0.00170 -0.00006 0.09609 0.27337 -0.43430 14 5D 0 -0.16638 -0.57698 -0.00345 0.00148 -0.00010 15 5D+1 0.00053 -0.00084 0.28190 -0.08992 -0.02640 16 5D-1 -0.00015 -0.00043 -0.01300 0.07729 0.09258 17 5D+2 -0.27101 -0.06390 0.00364 -0.00093 0.00031 18 5D-2 0.03547 0.01702 -0.00123 0.00013 0.00201 19 2 C 1S 0.03526 0.03903 0.00006 -0.00007 -0.00002 20 2S 0.08369 0.08234 0.00009 -0.00015 -0.00005 21 2PX -0.03206 -0.05820 -0.00039 -0.00007 0.00053 22 2PY 0.02557 0.04452 0.00022 0.00008 0.00047 23 2PZ 0.00139 -0.00184 0.72133 0.13493 0.22114 24 3S -0.72067 -0.36371 0.00341 -0.00012 0.00020 25 3PX -0.69779 -0.20526 0.00355 -0.00014 0.00032 26 3PY 0.49492 0.15597 -0.00259 0.00000 0.00056 27 3PZ -0.00263 0.00159 -0.87313 -0.16345 -0.29013 28 4S 0.08004 -3.63324 -0.08291 0.02943 0.00321 29 4PX -1.96842 0.36098 0.03931 -0.01181 -0.00323 30 4PY 1.57208 -0.27649 -0.02939 0.00783 -0.00230 31 4PZ -0.00206 -0.00130 0.28484 0.05322 0.12863 32 5D 0 0.25480 0.57688 0.00326 -0.00152 -0.00031 33 5D+1 -0.00115 -0.00102 -0.02079 -0.18775 0.11674 34 5D-1 0.00090 0.00011 0.08491 -0.22549 0.11003 35 5D+2 -0.10386 -0.01746 0.00147 -0.00013 -0.00226 36 5D-2 0.40461 0.06356 -0.00428 0.00078 -0.00124 37 3 C 1S -0.01228 -0.03901 -0.00011 0.00005 0.00002 38 2S -0.02912 -0.08227 -0.00022 0.00011 0.00003 39 2PX 0.01460 0.06767 -0.00051 0.00061 -0.00108 40 2PY 0.00184 0.02823 -0.00009 -0.00018 0.00064 41 2PZ 0.00018 -0.00173 0.47795 -0.55703 0.52507 42 3S 0.24918 0.36310 -0.00206 0.00043 0.00003 43 3PX 0.21148 0.23817 -0.00175 0.00036 0.00075 44 3PY 0.26314 0.09888 -0.00166 0.00006 0.00045 45 3PZ -0.00014 0.00221 -0.57839 0.67440 -0.68896 46 4S 0.00278 3.63242 0.08101 -0.02837 -0.00486 47 4PX 0.91281 -0.41915 -0.04246 0.01503 0.00296 48 4PY 0.04476 -0.17680 -0.01726 0.00634 -0.00339 49 4PZ 0.00116 -0.00089 0.18875 -0.21989 0.30551 50 5D 0 -0.08989 -0.57665 -0.00337 0.00141 0.00063 51 5D+1 0.00026 0.00087 0.04571 0.12328 0.10374 52 5D-1 -0.00035 0.00041 -0.22603 -0.15887 -0.08679 53 5D+2 0.13125 0.04610 -0.00249 0.00067 0.00137 54 5D-2 0.07237 0.04716 -0.00230 0.00104 -0.00207 55 4 C 1S -0.02293 0.03901 0.00016 -0.00001 -0.00001 56 2S -0.05445 0.08227 0.00033 0.00000 -0.00001 57 2PX 0.00034 -0.00926 0.00007 0.00059 -0.00045 58 2PY 0.02715 -0.07275 -0.00004 -0.00034 -0.00003 59 2PZ -0.00084 0.00017 -0.24402 -0.69225 -0.74648 60 3S 0.47212 -0.36316 0.00110 -0.00155 -0.00012 61 3PX 0.20191 -0.03237 -0.00008 -0.00086 -0.00136 62 3PY 0.53955 -0.25579 0.00160 -0.00109 -0.00001 63 3PZ 0.00100 -0.00024 0.29522 0.83802 0.97956 64 4S -0.13200 -3.63153 -0.08057 0.03095 0.00351 65 4PX -0.03647 0.05872 0.00581 -0.00295 0.00498 66 4PY 1.70734 0.45102 0.04084 -0.01831 -0.00348 67 4PZ -0.00085 -0.00048 -0.09642 -0.27335 -0.43433 68 5D 0 -0.16360 0.57658 0.00421 -0.00133 -0.00002 69 5D+1 0.00012 -0.00164 0.28168 -0.08995 0.02586 70 5D-1 -0.00004 0.00033 -0.01287 0.07723 -0.09254 71 5D+2 -0.27580 0.06381 -0.00277 0.00176 0.00072 72 5D-2 0.03583 -0.01721 0.00084 -0.00114 0.00232 73 5 C 1S 0.03522 -0.03901 -0.00016 0.00003 -0.00001 74 2S 0.08363 -0.08228 -0.00031 0.00004 -0.00003 75 2PX 0.03247 -0.05826 0.00033 0.00013 -0.00102 76 2PY -0.02544 0.04424 -0.00047 0.00013 -0.00037 77 2PZ -0.00070 0.00186 -0.72134 -0.13512 0.22173 78 3S -0.72403 0.36320 -0.00130 0.00120 0.00033 79 3PX 0.70169 -0.20459 0.00076 -0.00125 0.00004 80 3PY -0.49748 0.15614 -0.00040 0.00087 -0.00067 81 3PZ 0.00160 -0.00249 0.87318 0.16349 -0.29105 82 4S 0.17715 3.63190 0.08025 -0.03124 -0.00342 83 4PX 2.01659 0.36248 0.03284 -0.01527 0.00069 84 4PY -1.60696 -0.27505 -0.02470 0.01053 0.00593 85 4PZ 0.00186 0.00132 -0.28480 -0.05340 0.12901 86 5D 0 0.25189 -0.57664 -0.00402 0.00139 -0.00008 87 5D+1 -0.00081 0.00041 -0.02084 -0.18779 -0.11689 88 5D-1 0.00023 -0.00124 0.08472 -0.22539 -0.11001 89 5D+2 -0.10431 0.01768 -0.00077 0.00141 -0.00255 90 5D-2 0.40948 -0.06341 0.00247 -0.00138 -0.00163 91 6 C 1S -0.01233 0.03903 0.00015 -0.00006 0.00002 92 2S -0.02932 0.08234 0.00029 -0.00012 0.00005 93 2PX -0.01503 0.06783 0.00011 -0.00035 0.00056 94 2PY -0.00194 0.02825 -0.00010 0.00053 -0.00023 95 2PZ -0.00013 0.00223 -0.47743 0.55736 0.52518 96 3S 0.25538 -0.36368 0.00151 -0.00054 -0.00050 97 3PX -0.21649 0.23810 -0.00232 0.00120 0.00009 98 3PY -0.26512 0.09986 -0.00029 0.00011 -0.00105 99 3PZ 0.00021 -0.00252 0.57797 -0.67464 -0.68927 100 4S -0.09290 -3.63395 -0.08106 0.02984 0.00348 101 4PX -0.96849 -0.41989 -0.04013 0.01568 0.00023 102 4PY -0.06759 -0.17380 -0.01705 0.00618 0.00561 103 4PZ -0.00048 0.00105 -0.18846 0.22010 0.30549 104 5D 0 -0.08704 0.57694 0.00406 -0.00116 0.00005 105 5D+1 0.00038 -0.00032 0.04585 0.12333 -0.10395 106 5D-1 -0.00041 0.00111 -0.22626 -0.15873 0.08722 107 5D+2 0.13532 -0.04625 0.00207 -0.00095 0.00121 108 5D-2 0.07678 -0.04725 0.00228 -0.00025 -0.00277 109 7 H 1S 0.35059 0.11682 -0.00266 0.00069 -0.00006 110 2S -1.71556 -1.17444 0.01053 -0.00168 -0.00018 111 3S -0.20978 -0.00311 0.00604 -0.00165 -0.00028 112 4PX -0.05771 -0.08861 -0.00027 -0.00001 0.00098 113 4PY -0.71214 -0.69427 0.00099 0.00061 -0.00015 114 4PZ 0.00025 0.00023 0.03737 0.10614 -0.05231 115 8 H 1S -0.53946 -0.11685 0.00302 -0.00044 -0.00035 116 2S 2.63866 1.17372 -0.01236 0.00093 -0.00005 117 3S 0.32409 0.00298 -0.00633 0.00164 -0.00008 118 4PX -0.86717 -0.55609 0.00113 0.00085 0.00096 119 4PY 0.67100 0.42421 -0.00119 -0.00027 0.00063 120 4PZ -0.00118 -0.00105 0.11061 0.02067 0.01553 121 9 H 1S 0.18690 0.11681 -0.00229 0.00067 0.00045 122 2S -0.91459 -1.17331 0.00895 -0.00277 -0.00013 123 3S -0.11074 -0.00295 0.00580 -0.00212 0.00007 124 4PX 0.36704 0.64505 -0.00041 -0.00006 -0.00091 125 4PY 0.11012 0.26994 0.00009 0.00002 0.00114 126 4PZ 0.00018 0.00004 0.07324 -0.08542 0.03674 127 10 H 1S 0.35456 -0.11677 0.00171 -0.00110 -0.00028 128 2S -1.73197 1.17326 -0.00519 0.00489 0.00102 129 3S -0.21700 0.00295 -0.00496 0.00240 0.00037 130 4PX 0.05912 -0.08911 -0.00020 0.00036 -0.00119 131 4PY 0.71463 -0.69357 -0.00125 -0.00096 -0.00002 132 4PZ -0.00011 0.00009 -0.03744 -0.10610 -0.05224 133 11 H 1S -0.54373 0.11690 -0.00180 0.00112 -0.00018 134 2S 2.65523 -1.17278 0.00525 -0.00462 -0.00081 135 3S 0.33114 -0.00285 0.00485 -0.00238 -0.00066 136 4PX 0.87025 -0.55603 -0.00089 -0.00020 -0.00134 137 4PY -0.67136 0.42331 0.00068 0.00077 -0.00103 138 4PZ 0.00086 -0.00037 -0.11054 -0.02075 0.01549 139 12 H 1S 0.19105 -0.11678 0.00217 -0.00101 0.00031 140 2S -0.93347 1.17433 -0.00715 0.00323 0.00057 141 3S -0.11807 0.00313 -0.00533 0.00207 0.00059 142 4PX -0.37120 0.64584 0.00061 -0.00020 0.00101 143 4PY -0.11157 0.26966 0.00012 0.00014 -0.00115 144 4PZ -0.00008 0.00046 -0.07322 0.08547 0.03680 121 122 123 124 125 V V V V V Eigenvalues -- 2.83677 2.88189 2.88198 2.88716 3.04272 1 1 C 1S -0.00001 0.00853 -0.00566 0.00010 0.00000 2 2S -0.00002 0.01712 -0.01133 0.00019 0.00000 3 2PX -0.00050 0.04943 -0.02494 -0.26423 -0.00036 4 2PY -0.00043 0.33281 -0.22295 0.03920 0.00024 5 2PZ 0.17517 -0.00079 -0.00062 -0.00300 0.53371 6 3S 0.00054 -0.07105 0.04670 -0.00073 0.00016 7 3PX -0.00014 -0.14951 -0.12675 -0.10473 0.00035 8 3PY 0.00007 -0.34778 0.26050 0.00815 -0.00045 9 3PZ -0.22982 0.00104 0.00083 0.00396 -0.78038 10 4S -0.00985 -0.18627 0.12524 0.00351 -0.00434 11 4PX 0.00056 -0.04834 -0.04109 1.98986 0.00049 12 4PY -0.00707 0.06519 -0.03337 -0.25036 -0.00261 13 4PZ 0.10194 -0.00044 -0.00053 -0.00155 0.53264 14 5D 0 -0.00001 0.13217 -0.08811 0.00158 0.00027 15 5D+1 -0.16217 0.00022 -0.00009 0.00051 -0.03116 16 5D-1 -0.00015 0.00045 -0.00017 0.00022 -0.24466 17 5D+2 -0.00144 0.68671 -0.36639 -0.17206 -0.00008 18 5D-2 -0.00047 0.00219 0.34830 -0.70254 -0.00002 19 2 C 1S 0.00002 0.00070 0.01021 0.00003 0.00002 20 2S 0.00005 0.00140 0.02048 0.00007 0.00004 21 2PX -0.00003 -0.02116 -0.32080 -0.16229 0.00013 22 2PY -0.00038 0.01546 0.24460 -0.21227 -0.00011 23 2PZ -0.73433 -0.00049 0.00074 0.00114 -0.53376 24 3S -0.00079 -0.00596 -0.08464 -0.00019 -0.00048 25 3PX -0.00098 0.13940 0.33969 -0.06006 -0.00047 26 3PY 0.00051 0.13532 -0.27445 -0.08060 0.00037 27 3PZ 0.96376 0.00067 -0.00115 -0.00155 0.78049 28 4S 0.01011 -0.01727 -0.22638 -0.00639 0.00327 29 4PX -0.00476 0.00568 -0.05565 1.21903 -0.00282 30 4PY 0.00566 0.01245 0.03944 1.59421 0.00269 31 4PZ -0.42721 -0.00023 0.00062 0.00093 -0.53267 32 5D 0 -0.00006 0.01047 0.15857 0.00066 -0.00011 33 5D+1 -0.04016 0.00041 -0.00047 0.00103 -0.19601 34 5D-1 0.09094 0.00078 0.00029 0.00096 0.14966 35 5D+2 0.00016 0.25931 -0.22853 0.70391 0.00002 36 5D-2 0.00140 0.12481 0.76281 0.19381 0.00017 37 3 C 1S 0.00001 -0.00917 -0.00457 -0.00019 0.00000 38 2S 0.00002 -0.01837 -0.00915 -0.00041 0.00000 39 2PX -0.00045 0.33196 0.16677 0.10791 -0.00038 40 2PY 0.00008 0.14534 0.06561 -0.24414 0.00025 41 2PZ 0.55887 0.00107 0.00000 0.00154 0.53359 42 3S 0.00037 0.07568 0.03791 0.00215 0.00019 43 3PX 0.00082 -0.32943 -0.24496 0.03402 0.00060 44 3PY 0.00004 -0.22780 0.08247 -0.09914 -0.00026 45 3PZ -0.73351 -0.00138 -0.00006 -0.00187 -0.78017 46 4S -0.01124 0.20716 0.09983 0.00683 -0.00553 47 4PX 0.00497 0.07419 0.01274 -0.77564 0.00274 48 4PY 0.00349 -0.02373 0.04926 1.84867 0.00093 49 4PZ 0.32515 0.00054 -0.00012 0.00002 0.53253 50 5D 0 0.00047 -0.14254 -0.07057 -0.00268 0.00034 51 5D+1 0.01742 0.00062 0.00035 -0.00019 0.22735 52 5D-1 0.13024 0.00076 -0.00021 0.00015 0.09544 53 5D+2 -0.00046 0.60224 0.06019 -0.50726 0.00003 54 5D-2 0.00079 0.41010 0.43775 0.51537 0.00013 55 4 C 1S -0.00003 0.00850 -0.00571 0.00017 0.00000 56 2S -0.00006 0.01703 -0.01144 0.00035 0.00001 57 2PX 0.00013 -0.04912 0.02510 0.26408 0.00030 58 2PY 0.00041 -0.33266 0.22305 -0.03916 -0.00033 59 2PZ 0.17545 -0.00018 -0.00107 -0.00210 -0.53354 60 3S 0.00000 -0.07005 0.04722 -0.00156 -0.00022 61 3PX 0.00034 0.14953 0.12619 0.10489 -0.00047 62 3PY -0.00076 0.34724 -0.26131 -0.00666 0.00030 63 3PZ -0.23036 0.00033 0.00157 0.00317 0.78007 64 4S 0.00967 -0.19285 0.12867 -0.00767 0.00420 65 4PX -0.00131 0.04840 0.04105 -1.98788 0.00079 66 4PY -0.00471 -0.06148 0.03174 0.25732 -0.00338 67 4PZ 0.10210 -0.00008 -0.00050 -0.00323 -0.53249 68 5D 0 -0.00038 0.13229 -0.08845 0.00259 0.00013 69 5D+1 0.16220 0.00041 -0.00014 -0.00011 -0.03165 70 5D-1 0.00027 0.00024 -0.00015 -0.00097 -0.24450 71 5D+2 -0.00066 0.68586 -0.36633 -0.17286 0.00039 72 5D-2 -0.00012 0.00070 0.34937 -0.70144 0.00020 73 5 C 1S 0.00003 0.00062 0.01021 -0.00001 0.00000 74 2S 0.00007 0.00124 0.02047 -0.00002 0.00000 75 2PX 0.00077 0.02069 0.32040 0.16210 -0.00041 76 2PY -0.00047 -0.01538 -0.24477 0.21229 0.00029 77 2PZ -0.73411 -0.00048 0.00077 0.00145 0.53369 78 3S -0.00014 -0.00495 -0.08445 -0.00011 0.00017 79 3PX -0.00069 -0.13821 -0.33992 0.06123 0.00041 80 3PY 0.00115 -0.13600 0.27427 0.07979 -0.00040 81 3PZ 0.96341 0.00071 -0.00095 -0.00208 -0.78038 82 4S -0.00915 -0.01188 -0.22948 0.00656 -0.00324 83 4PX -0.00390 -0.00345 0.05395 -1.21288 -0.00203 84 4PY 0.00181 -0.01372 -0.03816 -1.59840 0.00232 85 4PZ -0.42711 -0.00035 0.00036 0.00152 0.53261 86 5D 0 0.00066 0.00998 0.15866 -0.00036 -0.00031 87 5D+1 0.04041 -0.00014 -0.00092 -0.00029 -0.19625 88 5D-1 -0.09061 0.00001 0.00059 0.00029 0.14928 89 5D+2 0.00020 0.25907 -0.23034 0.70313 -0.00001 90 5D-2 0.00043 0.12428 0.76227 0.19511 -0.00036 91 6 C 1S 0.00001 -0.00919 -0.00452 -0.00010 -0.00001 92 2S 0.00002 -0.01842 -0.00905 -0.00019 -0.00003 93 2PX -0.00003 -0.33201 -0.16696 -0.10819 0.00022 94 2PY 0.00050 -0.14554 -0.06546 0.24419 -0.00029 95 2PZ 0.55881 0.00057 -0.00026 0.00096 -0.53371 96 3S -0.00053 0.07634 0.03711 0.00072 0.00008 97 3PX 0.00032 0.32978 0.24462 -0.03532 -0.00035 98 3PY -0.00041 0.22770 -0.08311 0.09861 0.00042 99 3PZ -0.73332 -0.00085 0.00047 -0.00162 0.78038 100 4S 0.00988 0.20132 0.10304 -0.00329 0.00517 101 4PX 0.00560 -0.07779 -0.01108 0.76938 0.00188 102 4PY 0.00128 0.02319 -0.04844 -1.85209 -0.00006 103 4PZ 0.32511 0.00042 -0.00003 0.00230 -0.53263 104 5D 0 -0.00003 -0.14242 -0.07046 -0.00169 -0.00016 105 5D+1 -0.01749 -0.00007 -0.00031 -0.00092 0.22761 106 5D-1 -0.12985 0.00015 0.00038 0.00029 0.09497 107 5D+2 -0.00116 0.60381 0.06044 -0.50711 -0.00029 108 5D-2 0.00022 0.40894 0.43705 0.51622 0.00003 109 7 H 1S -0.00015 0.35832 -0.23893 0.00539 0.00009 110 2S -0.00155 -0.12593 0.08421 -0.00139 -0.00055 111 3S -0.00132 0.19318 -0.12872 0.00345 -0.00043 112 4PX -0.00043 0.15084 0.15353 -0.42181 -0.00008 113 4PY -0.00049 0.20853 -0.17149 0.05750 -0.00006 114 4PZ 0.01225 -0.00011 0.00003 -0.00021 -0.06177 115 8 H 1S -0.00017 0.02789 0.42985 0.00066 -0.00038 116 2S 0.00251 -0.00997 -0.15175 -0.00082 0.00202 117 3S 0.00132 0.01485 0.23140 -0.00008 0.00077 118 4PX -0.00084 -0.13684 -0.20739 -0.26117 -0.00046 119 4PY 0.00024 -0.15041 0.17471 -0.34231 0.00029 120 4PZ -0.05143 -0.00006 -0.00050 0.00000 0.06173 121 9 H 1S 0.00034 -0.38627 -0.19105 -0.00605 -0.00001 122 2S -0.00109 0.13664 0.06730 0.00273 -0.00041 123 3S -0.00079 -0.20765 -0.10289 -0.00273 -0.00053 124 4PX 0.00017 0.18627 0.18362 0.16771 0.00003 125 4PY -0.00057 0.18523 -0.12693 -0.39130 0.00003 126 4PZ 0.03912 0.00010 0.00012 0.00025 -0.06177 127 10 H 1S -0.00067 0.35854 -0.23918 0.00589 -0.00015 128 2S 0.00092 -0.12688 0.08453 -0.00293 0.00091 129 3S 0.00039 0.19267 -0.12863 0.00272 0.00052 130 4PX 0.00005 -0.15033 -0.15374 0.42139 -0.00016 131 4PY 0.00033 -0.20834 0.17172 -0.05747 -0.00013 132 4PZ 0.01222 -0.00016 -0.00014 0.00029 0.06177 133 11 H 1S 0.00038 0.02756 0.43004 0.00006 0.00020 134 2S -0.00041 -0.00980 -0.15244 0.00093 -0.00081 135 3S -0.00043 0.01498 0.23108 0.00052 -0.00039 136 4PX 0.00042 0.13628 0.20712 0.26110 -0.00010 137 4PY -0.00027 0.15057 -0.17484 0.34208 0.00000 138 4PZ -0.05138 -0.00008 0.00022 -0.00005 -0.06173 139 12 H 1S -0.00014 -0.38604 -0.19106 -0.00568 0.00012 140 2S 0.00127 0.13575 0.06763 0.00144 -0.00042 141 3S 0.00086 -0.20812 -0.10266 -0.00363 0.00020 142 4PX 0.00003 -0.18611 -0.18347 -0.16768 -0.00024 143 4PY 0.00070 -0.18601 0.12680 0.39158 0.00000 144 4PZ 0.03914 -0.00002 -0.00021 -0.00029 0.06176 126 127 128 129 130 V V V V V Eigenvalues -- 3.06072 3.31689 3.31711 3.44670 3.45294 1 1 C 1S -0.00003 0.01207 -0.03121 -0.02471 0.03319 2 2S -0.00004 0.02378 -0.06149 -0.05354 0.06804 3 2PX 0.55923 0.67583 0.30020 0.06452 0.09786 4 2PY -0.07125 -0.17936 0.20255 0.49841 -0.58110 5 2PZ 0.00021 0.00035 0.00005 -0.00023 0.00030 6 3S 0.00018 -0.09925 0.25753 0.44625 -0.46001 7 3PX -0.46497 -0.98222 -0.41618 -0.12361 -0.13064 8 3PY 0.05891 0.20399 -0.15240 -0.95407 1.08495 9 3PZ -0.00021 -0.00052 -0.00017 0.00042 -0.00052 10 4S 0.00144 -0.75891 1.94384 -0.11658 0.58466 11 4PX 0.21608 0.09825 0.31679 0.03102 0.23505 12 4PY -0.02642 -0.75361 1.86454 0.23161 -0.76780 13 4PZ 0.00012 0.00092 -0.00062 -0.00013 0.00031 14 5D 0 -0.00015 0.11825 -0.30524 -0.12151 0.22854 15 5D+1 0.00002 0.00000 0.00022 -0.00014 0.00001 16 5D-1 -0.00006 0.00012 -0.00023 -0.00012 0.00027 17 5D+2 -0.02254 -0.07173 0.04642 -0.29625 0.29132 18 5D-2 -0.08613 -0.16969 -0.08613 0.07712 -0.12361 19 2 C 1S -0.00003 -0.03306 0.00493 -0.02507 0.00429 20 2S -0.00004 -0.06514 0.00972 -0.05429 0.00883 21 2PX -0.34187 -0.27022 -0.41654 -0.40048 0.31420 22 2PY -0.44797 0.06227 -0.60774 0.31358 0.28930 23 2PZ -0.00002 -0.00052 0.00013 -0.00040 0.00009 24 3S 0.00033 0.27244 -0.04017 0.45107 -0.06117 25 3PX 0.28461 0.27121 0.61970 0.76777 -0.51159 26 3PY 0.37186 0.00193 0.86304 -0.59766 -0.43876 27 3PZ 0.00003 0.00097 -0.00024 0.00100 -0.00020 28 4S -0.00294 2.06320 -0.31634 -0.11848 0.07944 29 4PX -0.13063 -1.61427 0.11733 -0.18745 0.56660 30 4PY -0.17451 1.18827 -0.34820 0.15751 0.60125 31 4PZ 0.00000 -0.00161 0.00027 -0.00012 0.00019 32 5D 0 -0.00010 -0.32360 0.04858 -0.12418 0.02870 33 5D+1 -0.00003 0.00017 -0.00006 0.00053 -0.00011 34 5D-1 -0.00004 -0.00014 0.00002 -0.00041 0.00008 35 5D+2 -0.08584 -0.04820 -0.18370 0.08345 0.09819 36 5D-2 -0.02424 0.06113 -0.06245 -0.29725 0.07078 37 3 C 1S -0.00006 0.02107 0.02602 -0.02556 -0.02835 38 2S -0.00008 0.04150 0.05126 -0.05529 -0.05804 39 2PX -0.21843 0.37415 0.00408 -0.47833 -0.53898 40 2PY 0.52009 -0.47435 0.50528 -0.19607 0.04460 41 2PZ -0.00030 0.00042 -0.00018 -0.00033 -0.00040 42 3S 0.00015 -0.17424 -0.21410 0.45786 0.39047 43 3PX 0.18239 -0.45364 0.10292 0.91471 0.98290 44 3PY -0.43248 0.72207 -0.68259 0.37562 -0.01291 45 3PZ 0.00027 -0.00051 0.00040 0.00059 0.00065 46 4S 0.00286 -1.30380 -1.62609 -0.13047 -0.51413 47 4PX -0.08652 1.23485 1.40747 -0.23728 -0.76993 48 4PY 0.19967 0.33904 0.72889 -0.08884 0.20988 49 4PZ -0.00014 0.00110 0.00079 -0.00026 -0.00041 50 5D 0 -0.00056 0.20572 0.25479 -0.12749 -0.19632 51 5D+1 -0.00008 -0.00026 -0.00047 0.00020 0.00028 52 5D-1 0.00004 0.00003 0.00017 0.00018 0.00009 53 5D+2 -0.06343 0.14008 -0.04729 0.21982 0.13915 54 5D-2 0.06240 -0.07616 0.12577 0.22418 0.23662 55 4 C 1S -0.00005 0.01232 -0.03115 -0.02577 -0.03237 56 2S -0.00008 0.02427 -0.06136 -0.05570 -0.06629 57 2PX 0.55964 -0.67643 -0.29771 -0.06684 0.09526 58 2PY -0.07244 0.18284 -0.20227 -0.51621 -0.56524 59 2PZ 0.00042 -0.00036 -0.00022 0.00015 0.00019 60 3S 0.00035 -0.10216 0.25665 0.46070 0.44605 61 3PX -0.46587 0.98403 0.41064 0.12704 -0.12827 62 3PY 0.06107 -0.20999 0.15239 0.98743 1.05550 63 3PZ -0.00038 0.00042 0.00047 -0.00019 -0.00022 64 4S -0.00103 -0.75787 1.94070 -0.13528 -0.58692 65 4PX 0.21628 -0.09908 -0.31413 -0.03207 0.23482 66 4PY -0.02736 0.75876 -1.86211 -0.25509 -0.75423 67 4PZ 0.00015 -0.00025 0.00045 0.00010 0.00034 68 5D 0 -0.00038 0.12015 -0.30470 -0.12885 -0.22412 69 5D+1 -0.00001 -0.00010 0.00041 -0.00006 0.00001 70 5D-1 0.00005 -0.00012 -0.00026 0.00003 -0.00006 71 5D+2 0.02220 -0.07053 0.04661 -0.30537 -0.28285 72 5D-2 0.08617 -0.17041 -0.08504 0.07976 0.12045 73 5 C 1S -0.00002 -0.03305 0.00514 -0.02550 -0.00377 74 2S -0.00002 -0.06510 0.01011 -0.05516 -0.00768 75 2PX -0.34137 0.26793 0.41470 0.41420 0.30435 76 2PY -0.44861 -0.06521 0.60987 -0.30777 0.29696 77 2PZ 0.00009 0.00020 -0.00012 0.00044 -0.00001 78 3S 0.00020 0.27216 -0.04263 0.45684 0.05008 79 3PX 0.28343 -0.26689 -0.61679 -0.79065 -0.49165 80 3PY 0.37325 0.00380 -0.86683 0.59044 -0.45415 81 3PZ -0.00006 -0.00012 0.00012 -0.00082 0.00002 82 4S 0.00009 2.06245 -0.31359 -0.12626 -0.06378 83 4PX -0.13208 1.61174 -0.11925 0.20894 0.57158 84 4PY -0.17304 -1.19059 0.35047 -0.14499 0.59738 85 4PZ 0.00001 0.00180 0.00000 0.00027 -0.00009 86 5D 0 -0.00002 -0.32347 0.05007 -0.12718 -0.02697 87 5D+1 0.00007 0.00034 -0.00010 0.00042 0.00002 88 5D-1 0.00009 -0.00043 -0.00015 -0.00037 -0.00019 89 5D+2 0.08604 -0.04684 -0.18422 0.08158 -0.10050 90 5D-2 0.02319 0.06132 -0.06148 -0.30222 -0.06246 91 6 C 1S -0.00003 0.02082 0.02619 -0.02494 0.02916 92 2S -0.00005 0.04103 0.05159 -0.05402 0.05980 93 2PX -0.21708 -0.37063 -0.00525 0.46520 -0.55507 94 2PY 0.52023 0.47444 -0.50752 0.20027 0.04261 95 2PZ -0.00040 -0.00044 0.00020 0.00010 -0.00020 96 3S 0.00031 -0.17144 -0.21611 0.44945 -0.40438 97 3PX 0.18015 0.44716 -0.10168 -0.89081 1.01223 98 3PY -0.43260 -0.72094 0.68754 -0.38185 -0.00693 99 3PZ 0.00034 0.00068 -0.00020 -0.00026 0.00041 100 4S -0.00063 -1.30393 -1.62891 -0.11944 0.51148 101 4PX -0.08404 -1.22929 -1.41123 0.21721 -0.78345 102 4PY 0.20101 -0.33855 -0.73233 0.10154 0.20587 103 4PZ -0.00015 -0.00025 -0.00018 0.00001 -0.00048 104 5D 0 -0.00016 0.20387 0.25609 -0.12316 0.20077 105 5D+1 0.00005 0.00004 -0.00015 -0.00001 -0.00006 106 5D-1 0.00004 0.00038 0.00026 0.00006 0.00001 107 5D+2 0.06344 0.14047 -0.04816 0.21732 -0.14459 108 5D-2 -0.06254 -0.07487 0.12599 0.21822 -0.24382 109 7 H 1S -0.00027 0.09223 -0.23909 -0.30234 0.40283 110 2S 0.00010 -0.14266 0.36568 -0.31447 0.12040 111 3S 0.00029 -0.11597 0.29860 0.15501 -0.24094 112 4PX -0.06457 0.02191 -0.01885 -0.05572 0.06558 113 4PY 0.00802 0.07020 -0.18777 -0.43608 0.50522 114 4PZ -0.00003 -0.00008 0.00007 0.00022 -0.00020 115 8 H 1S -0.00031 -0.25285 0.03757 -0.30651 0.05233 116 2S -0.00075 0.38844 -0.05956 -0.31495 0.01987 117 3S -0.00027 0.31638 -0.04782 0.15803 -0.03036 118 4PX 0.03997 0.15704 -0.03140 0.35372 -0.05214 119 4PY 0.05157 -0.12249 0.00688 -0.26977 0.04251 120 4PZ -0.00001 0.00003 0.00000 0.00049 -0.00008 121 9 H 1S -0.00057 0.16155 0.19915 -0.31256 -0.34412 122 2S 0.00034 -0.24501 -0.30647 -0.31726 -0.09817 123 3S 0.00058 -0.20096 -0.24937 0.16121 0.20597 124 4PX 0.02553 -0.11386 -0.14783 0.41746 0.39989 125 4PY -0.05973 -0.05952 -0.05262 0.17482 0.16883 126 4PZ 0.00004 -0.00009 -0.00009 0.00031 0.00024 127 10 H 1S -0.00042 0.09468 -0.23861 -0.31490 -0.39304 128 2S -0.00053 -0.14238 0.36538 -0.31816 -0.11255 129 3S -0.00001 -0.11724 0.29810 0.16268 0.23527 130 4PX -0.06429 -0.02247 0.01907 0.05821 0.06414 131 4PY 0.00888 -0.07302 0.18728 0.45195 0.49175 132 4PZ -0.00003 0.00003 -0.00011 -0.00005 -0.00007 133 11 H 1S -0.00027 -0.25277 0.03950 -0.31173 -0.04547 134 2S -0.00040 0.38830 -0.05922 -0.31651 -0.00860 135 3S 0.00000 0.31624 -0.04863 0.16111 0.02826 136 4PX 0.03916 -0.15721 0.03323 -0.35932 -0.04348 137 4PY 0.05205 0.12223 -0.00821 0.27351 0.03582 138 4PZ -0.00001 -0.00018 0.00000 -0.00037 -0.00003 139 12 H 1S -0.00018 0.15924 0.20061 -0.30506 0.35398 140 2S -0.00018 -0.24528 -0.30661 -0.31505 0.10599 141 3S 0.00009 -0.19961 -0.25041 0.15680 -0.21181 142 4PX 0.02488 0.11140 0.14944 -0.40882 0.41258 143 4PY -0.06019 0.05820 0.05303 -0.17073 0.17390 144 4PZ 0.00004 0.00000 0.00002 -0.00008 0.00006 131 132 133 134 135 V V V V V Eigenvalues -- 3.45309 3.64510 3.93689 3.93696 4.05718 1 1 C 1S -0.01432 -0.00306 0.01458 0.02276 0.01391 2 2S -0.02936 -0.01350 0.02536 0.03962 0.02171 3 2PX 0.41516 0.02859 0.30042 -0.09077 0.07519 4 2PY 0.19259 0.22403 0.33016 0.58654 0.57803 5 2PZ 0.00004 -0.00006 -0.00002 -0.00034 -0.00022 6 3S 0.19886 0.30847 -0.13438 -0.21040 0.06421 7 3PX -0.66037 -0.03450 -1.03038 0.31733 -0.24276 8 3PY -0.37765 -0.27110 -1.11527 -1.98626 -1.86812 9 3PZ -0.00003 0.00003 0.00016 0.00110 0.00074 10 4S -0.26141 -3.96368 -0.47503 -0.74131 -4.69345 11 4PX 0.79157 -0.26796 0.00350 -0.03990 -0.30532 12 4PY 0.21233 -2.09711 -0.13623 -0.20666 -2.38903 13 4PZ 0.00014 0.00122 0.00021 0.00000 0.00137 14 5D 0 -0.09844 0.12280 0.06571 0.10255 0.12021 15 5D+1 0.00001 0.00004 -0.00003 -0.00042 -0.00029 16 5D-1 -0.00009 0.00058 -0.00043 -0.00006 -0.00016 17 5D+2 -0.15742 0.88757 -0.60986 -0.75449 -0.63133 18 5D-2 -0.06677 -0.23095 -0.20704 0.43233 0.16288 19 2 C 1S -0.03565 0.00308 -0.02700 0.00130 -0.01405 20 2S -0.07307 0.01353 -0.04700 0.00228 -0.02195 21 2PX -0.45141 0.17972 0.54666 0.15865 0.46431 22 2PY 0.40633 -0.13688 -0.39894 0.26176 -0.35388 23 2PZ -0.00059 -0.00015 0.00045 -0.00002 0.00022 24 3S 0.49313 -0.30854 0.24960 -0.01230 -0.06211 25 3PX 0.85796 -0.21771 -1.84934 -0.54731 -1.50097 26 3PY -0.75065 0.16565 1.35050 -0.89965 1.14525 27 3PZ 0.00139 0.00033 -0.00146 0.00006 -0.00090 28 4S -0.63170 3.96467 0.88085 -0.04420 4.69411 29 4PX -0.57107 -1.68021 -0.19816 0.02536 -1.91482 30 4PY 0.55367 1.28222 0.15242 0.01214 1.45971 31 4PZ -0.00092 -0.00125 -0.00012 0.00002 -0.00128 32 5D 0 -0.24606 -0.12261 -0.12171 0.00588 -0.12065 33 5D+1 0.00067 0.00033 -0.00120 0.00009 -0.00096 34 5D-1 -0.00052 -0.00042 0.00089 -0.00003 0.00068 35 5D+2 0.10177 0.24299 -0.24554 0.41866 -0.17363 36 5D-2 -0.32077 -0.88426 0.96512 0.06593 0.63062 37 3 C 1S -0.02140 -0.00307 0.01243 -0.02401 0.01390 38 2S -0.04386 -0.01351 0.02165 -0.04177 0.02168 39 2PX -0.20388 -0.20799 -0.18259 0.60959 -0.53686 40 2PY -0.45547 -0.08709 -0.36964 0.10356 -0.22603 41 2PZ -0.00002 -0.00007 -0.00004 0.00048 -0.00037 42 3S 0.29616 0.30847 -0.11533 0.22117 0.06435 43 3PX 0.42437 0.25132 0.61184 -2.06420 1.73394 44 3PY 0.75696 0.10499 1.26591 -0.34490 0.73228 45 3PZ 0.00006 -0.00003 0.00019 -0.00167 0.00124 46 4S -0.37944 -3.96267 -0.40364 0.78701 -4.69230 47 4PX -0.18013 1.94948 0.11389 -0.20258 2.22182 48 4PY -0.79639 0.81724 0.02386 -0.09697 0.92888 49 4PZ 0.00020 0.00171 0.00017 -0.00014 0.00186 50 5D 0 -0.14755 0.12277 0.05598 -0.10833 0.12017 51 5D+1 0.00026 -0.00068 0.00043 0.00008 0.00000 52 5D-1 0.00005 -0.00054 0.00009 -0.00074 0.00047 53 5D+2 0.20699 -0.64377 0.58839 -0.48461 0.45920 54 5D-2 0.07879 -0.65318 0.06283 -0.76544 0.46188 55 4 C 1S 0.01422 0.00307 0.01462 0.02273 -0.01388 56 2S 0.02912 0.01351 0.02545 0.03953 -0.02164 57 2PX 0.41558 0.02852 -0.30114 0.09048 0.07524 58 2PY 0.18947 0.22343 -0.33103 -0.58675 0.57733 59 2PZ 0.00027 -0.00017 -0.00009 0.00025 -0.00023 60 3S -0.19581 -0.30837 -0.13508 -0.20915 -0.06478 61 3PX -0.66037 -0.03405 1.03400 -0.31360 -0.24488 62 3PY -0.37101 -0.26960 1.11793 1.98541 -1.86501 63 3PZ -0.00047 0.00027 0.00030 -0.00089 0.00065 64 4S 0.25204 3.96266 -0.47959 -0.74550 4.69195 65 4PX 0.79245 -0.27109 -0.00364 0.04025 -0.30629 66 4PY 0.21921 -2.09610 0.13837 0.20921 -2.38852 67 4PZ 0.00066 0.00062 -0.00010 -0.00008 0.00076 68 5D 0 0.09847 -0.12275 0.06595 0.10256 -0.12009 69 5D+1 -0.00009 -0.00080 -0.00025 -0.00075 0.00048 70 5D-1 0.00007 -0.00032 -0.00016 0.00039 -0.00032 71 5D+2 0.15487 -0.88745 -0.61105 -0.75394 0.63029 72 5D-2 0.06751 0.23169 -0.20756 0.43134 -0.16231 73 5 C 1S 0.03537 -0.00310 -0.02704 0.00124 0.01403 74 2S 0.07247 -0.01356 -0.04706 0.00216 0.02193 75 2PX -0.44981 0.17953 -0.54752 -0.15951 0.46401 76 2PY 0.40049 -0.13690 0.39873 -0.26102 -0.35358 77 2PZ -0.00053 0.00025 -0.00063 0.00005 0.00061 78 3S -0.48842 0.30882 0.24987 -0.01134 0.06221 79 3PX 0.85370 -0.21709 1.85342 0.55021 -1.50064 80 3PY -0.74142 0.16566 -1.34748 0.89681 1.14278 81 3PZ 0.00094 -0.00030 0.00216 -0.00023 -0.00193 82 4S 0.63340 -3.96432 0.88480 -0.03871 -4.69361 83 4PX -0.56811 -1.68207 0.19979 -0.02352 -1.91563 84 4PY 0.54893 1.27918 -0.15401 -0.01354 1.45873 85 4PZ -0.00068 -0.00170 0.00025 -0.00010 -0.00192 86 5D 0 0.24447 0.12254 -0.12195 0.00558 0.12064 87 5D+1 -0.00052 -0.00094 -0.00060 0.00028 0.00030 88 5D-1 0.00040 0.00038 0.00014 0.00031 -0.00001 89 5D+2 -0.10069 -0.24369 -0.24496 0.41812 0.17372 90 5D-2 0.31813 0.88409 0.96547 0.06728 -0.62982 91 6 C 1S 0.02109 0.00306 0.01237 -0.02403 -0.01392 92 2S 0.04321 0.01349 0.02152 -0.04182 -0.02171 93 2PX -0.19935 -0.20820 0.18240 -0.60940 -0.53727 94 2PY -0.45072 -0.08686 0.36964 -0.10322 -0.22582 95 2PZ 0.00023 0.00012 -0.00020 -0.00006 0.00003 96 3S -0.29141 -0.30830 -0.11379 0.22206 -0.06414 97 3PX 0.41544 0.25176 -0.61106 2.06571 1.73653 98 3PY 0.74948 0.10483 -1.26436 0.34113 0.72961 99 3PZ -0.00031 -0.00019 0.00069 0.00023 -0.00008 100 4S 0.38364 3.96319 -0.40743 0.78268 4.69333 101 4PX -0.17255 1.95080 -0.11591 0.20024 2.22228 102 4PY -0.79260 0.81471 -0.02455 0.09597 0.92829 103 4PZ 0.00045 -0.00004 -0.00005 0.00005 -0.00012 104 5D 0 0.14571 -0.12279 0.05585 -0.10826 -0.12019 105 5D+1 -0.00013 -0.00025 0.00025 0.00009 0.00002 106 5D-1 0.00001 0.00056 0.00053 -0.00074 -0.00060 107 5D+2 -0.20432 0.64455 0.58747 -0.48420 -0.45896 108 5D-2 -0.07718 0.65267 0.06222 -0.76672 -0.46297 109 7 H 1S -0.17388 0.43774 -0.25534 -0.39827 -0.24195 110 2S -0.05309 -0.35893 -0.52872 -0.82452 -1.13636 111 3S 0.10346 -0.18468 0.12544 0.19568 -0.13306 112 4PX -0.02595 0.02973 -0.06067 -0.09301 -0.08529 113 4PY -0.21870 0.23154 -0.46775 -0.72967 -0.66538 114 4PZ 0.00013 -0.00010 0.00011 0.00033 0.00020 115 8 H 1S -0.43312 -0.43746 0.47239 -0.02253 0.24291 116 2S -0.12718 0.35866 0.97837 -0.04696 1.13736 117 3S 0.25921 0.18453 -0.23201 0.01106 0.13229 118 4PX 0.43526 0.18549 -0.69402 0.03268 -0.53447 119 4PY -0.33158 -0.14148 0.52916 -0.02599 0.40757 120 4PZ 0.00057 0.00033 -0.00111 0.00005 -0.00102 121 9 H 1S -0.25979 0.43775 -0.21727 0.42004 -0.24153 122 2S -0.07680 -0.35855 -0.44976 0.87093 -1.13562 123 3S 0.15571 -0.18472 0.10677 -0.20625 -0.13318 124 4PX 0.30371 -0.21561 0.36992 -0.71650 0.61828 125 4PY 0.12522 -0.09013 0.15559 -0.29931 0.25869 126 4PZ 0.00021 -0.00014 0.00018 -0.00043 0.00027 127 10 H 1S 0.17239 -0.43783 -0.25568 -0.39780 0.24131 128 2S 0.04877 0.35821 -0.53018 -0.82485 1.13517 129 3S -0.10375 0.18474 0.12551 0.19527 0.13330 130 4PX -0.02576 0.02989 0.06103 0.09338 -0.08552 131 4PY -0.21595 0.23198 0.46870 0.72944 -0.66433 132 4PZ 0.00002 0.00002 0.00000 -0.00001 -0.00004 133 11 H 1S 0.42978 0.43738 0.47221 -0.02193 -0.24237 134 2S 0.12500 -0.35839 0.97918 -0.04513 -1.13663 135 3S -0.25726 -0.18448 -0.23185 0.01088 -0.13247 136 4PX 0.43204 0.18572 0.69469 -0.03166 -0.53424 137 4PY -0.32867 -0.14134 -0.52888 0.02516 0.40678 138 4PZ 0.00048 0.00019 0.00076 0.00001 -0.00061 139 12 H 1S 0.25607 -0.43785 -0.21685 0.42046 0.24194 140 2S 0.07470 0.35868 -0.44965 0.87050 1.13618 141 3S -0.15301 0.18475 0.10632 -0.20661 0.13307 142 4PX 0.29906 -0.21557 -0.36950 0.71665 0.61881 143 4PY 0.12306 -0.09016 -0.15530 0.29914 0.25870 144 4PZ 0.00004 -0.00003 -0.00006 0.00012 0.00019 136 137 138 139 140 V V V V V Eigenvalues -- 4.09676 4.09679 4.83277 23.48944 23.92872 1 1 C 1S -0.04217 0.00025 0.00003 -0.82885 -0.44074 2 2S -0.07613 0.00047 0.00009 0.89496 0.48443 3 2PX -0.04823 -0.70439 -0.64210 -0.00380 -0.07603 4 2PY -0.34496 0.09267 0.08221 -0.02962 0.00815 5 2PZ 0.00018 -0.00025 -0.00007 0.00001 -0.00002 6 3S 0.60792 -0.00378 -0.00113 -0.24421 -0.17370 7 3PX 0.21270 2.57932 2.97762 0.01766 0.31137 8 3PY 1.55501 -0.34122 -0.38246 0.13770 -0.04900 9 3PZ -0.00075 0.00083 0.00062 -0.00006 0.00011 10 4S 0.03408 -0.00737 -0.00330 0.07194 0.04370 11 4PX -0.03020 -0.37524 -1.64973 -0.00113 -0.04073 12 4PY -0.21951 0.04530 0.20936 -0.00848 0.04833 13 4PZ 0.00011 -0.00009 -0.00013 0.00000 -0.00005 14 5D 0 -0.13848 0.00093 0.00018 0.01768 0.01876 15 5D+1 0.00029 -0.00049 -0.00064 0.00002 -0.00008 16 5D-1 0.00007 0.00051 0.00029 0.00003 0.00007 17 5D+2 0.68607 0.27519 0.34829 0.06814 0.04513 18 5D-2 -0.17283 1.07383 1.33813 -0.01776 0.15858 19 2 C 1S -0.02089 0.03659 -0.00004 -0.82901 -1.16595 20 2S -0.03777 0.06607 -0.00011 0.89514 1.28152 21 2PX -0.23754 -0.45315 -0.39242 0.02374 -0.00386 22 2PY -0.59450 -0.09776 -0.51479 -0.01810 -0.01146 23 2PZ 0.00014 -0.00017 -0.00005 0.00003 0.00002 24 3S 0.30252 -0.52798 0.00145 -0.24423 -0.45863 25 3PX 0.75364 1.86207 1.81901 -0.11035 0.04771 26 3PY 2.26719 0.20215 2.38880 0.08415 0.02245 27 3PZ -0.00046 0.00066 0.00010 -0.00016 -0.00011 28 4S 0.00995 -0.01795 0.00331 0.07168 0.11289 29 4PX -0.10884 -0.27112 -1.00978 0.00695 -0.09343 30 4PY -0.32991 -0.02863 -1.32151 -0.00535 0.06253 31 4PZ 0.00011 -0.00015 -0.00017 0.00003 -0.00006 32 5D 0 -0.06853 0.12000 -0.00023 0.01769 0.04999 33 5D+1 -0.00042 0.00068 -0.00021 -0.00012 -0.00007 34 5D-1 0.00023 -0.00056 -0.00013 0.00009 0.00006 35 5D+2 -1.02090 -0.36718 -1.33322 -0.01865 -0.02601 36 5D-2 0.08193 -0.73700 -0.36640 0.06786 0.00239 37 3 C 1S 0.02128 0.03639 0.00008 -0.82887 -0.72682 38 2S 0.03847 0.06566 0.00020 0.89499 0.79885 39 2PX 0.07545 -0.41637 0.24982 0.02755 -0.02321 40 2PY -0.63302 0.21485 -0.59718 0.01152 0.06136 41 2PZ 0.00016 -0.00047 0.00027 0.00002 -0.00004 42 3S -0.30827 -0.52361 -0.00266 -0.24420 -0.28547 43 3PX -0.13841 1.75675 -1.15600 -0.12803 0.11810 44 3PY 2.37668 -0.68702 2.76964 -0.05357 -0.24285 45 3PZ -0.00051 0.00179 -0.00138 -0.00008 0.00017 46 4S -0.01014 -0.03277 -0.00268 0.07201 0.07302 47 4PX 0.01944 -0.24847 0.64345 0.00789 -0.08151 48 4PY -0.34554 0.10341 -1.53310 0.00324 0.00903 49 4PZ 0.00005 -0.00027 0.00066 -0.00001 -0.00008 50 5D 0 0.06980 0.11955 0.00040 0.01767 0.03134 51 5D+1 0.00069 -0.00066 0.00096 -0.00003 -0.00016 52 5D-1 -0.00033 0.00068 -0.00074 -0.00003 0.00008 53 5D+2 0.93134 0.03119 0.98441 -0.04944 -0.10435 54 5D-2 -0.41861 0.82752 -0.97055 -0.05011 0.09512 55 4 C 1S 0.04216 -0.00021 -0.00006 -0.82886 0.45242 56 2S 0.07610 -0.00032 -0.00016 0.89498 -0.49725 57 2PX -0.04745 -0.70420 0.64209 0.00381 -0.07623 58 2PY -0.34521 0.09329 -0.08240 0.02962 0.00841 59 2PZ 0.00008 -0.00043 0.00054 -0.00001 -0.00005 60 3S -0.60743 0.00144 0.00214 -0.24418 0.17753 61 3PX 0.21317 2.57775 -2.97665 -0.01774 0.31166 62 3PY 1.55483 -0.34126 0.37989 -0.13765 -0.04958 63 3PZ -0.00046 0.00168 -0.00228 0.00001 0.00023 64 4S -0.03389 0.00774 0.00287 0.07173 -0.04625 65 4PX -0.03017 -0.37580 1.64881 0.00114 -0.04041 66 4PY -0.21964 0.04527 -0.21355 0.00863 0.05077 67 4PZ 0.00003 -0.00023 0.00149 0.00000 0.00000 68 5D 0 0.13844 -0.00079 -0.00034 0.01768 -0.01958 69 5D+1 -0.00062 0.00044 -0.00050 0.00003 0.00009 70 5D-1 0.00019 -0.00077 0.00121 -0.00001 -0.00013 71 5D+2 -0.68596 -0.27510 0.34905 0.06812 -0.04492 72 5D-2 0.17314 -1.07328 1.33742 -0.01778 -0.15887 73 5 C 1S 0.02087 -0.03659 0.00002 -0.82913 1.16547 74 2S 0.03767 -0.06610 0.00007 0.89527 -1.28099 75 2PX -0.23729 -0.45234 0.39222 -0.02375 -0.00348 76 2PY -0.59512 -0.09761 0.51495 0.01809 -0.01096 77 2PZ 0.00029 -0.00025 -0.00020 -0.00003 0.00000 78 3S -0.30086 0.52873 -0.00093 -0.24425 0.45843 79 3PX 0.75305 1.86092 -1.81987 0.11035 0.04669 80 3PY 2.26708 0.20303 -2.38753 -0.08401 0.02095 81 3PZ -0.00121 0.00110 0.00076 0.00012 0.00003 82 4S -0.01033 0.01752 -0.00342 0.07197 -0.11276 83 4PX -0.10897 -0.27141 1.00610 -0.00684 -0.09314 84 4PY -0.32983 -0.02916 1.32415 0.00525 0.06261 85 4PZ 0.00020 -0.00017 -0.00054 0.00001 -0.00012 86 5D 0 0.06846 -0.12002 0.00017 0.01768 -0.04996 87 5D+1 0.00065 -0.00001 -0.00050 -0.00007 0.00008 88 5D-1 0.00088 0.00051 -0.00130 0.00005 -0.00005 89 5D+2 1.02104 0.36665 -1.33282 -0.01868 0.02513 90 5D-2 -0.08149 0.73638 -0.36735 0.06781 -0.00260 91 6 C 1S -0.02124 -0.03643 -0.00003 -0.82889 0.71542 92 2S -0.03833 -0.06579 -0.00009 0.89501 -0.78633 93 2PX 0.07528 -0.41587 -0.24969 -0.02755 -0.02289 94 2PY -0.63359 0.21414 0.59724 -0.01154 0.06120 95 2PZ 0.00042 -0.00020 -0.00050 0.00000 -0.00004 96 3S 0.30608 0.52534 0.00109 -0.24422 0.28173 97 3PX -0.13886 1.75781 1.15906 0.12807 0.11744 98 3PY 2.37684 -0.68716 -2.76935 0.05361 -0.24267 99 3PZ -0.00158 0.00075 0.00218 0.00003 0.00016 100 4S 0.01039 0.03280 0.00326 0.07174 -0.07061 101 4PX 0.01957 -0.24832 -0.63976 -0.00799 -0.07940 102 4PY -0.34563 0.10268 1.53499 -0.00334 0.00992 103 4PZ 0.00022 -0.00011 -0.00131 -0.00002 0.00000 104 5D 0 -0.06964 -0.11969 -0.00018 0.01768 -0.03054 105 5D+1 -0.00050 0.00029 0.00089 -0.00001 0.00009 106 5D-1 -0.00080 -0.00035 0.00057 -0.00004 0.00004 107 5D+2 -0.93142 -0.03159 0.98401 -0.04949 0.10437 108 5D-2 0.41881 -0.82785 -0.97135 -0.05011 -0.09474 109 7 H 1S 0.35785 -0.00207 -0.00004 0.01427 -0.00581 110 2S 0.44425 -0.00384 -0.00049 0.15264 0.06593 111 3S -0.25443 0.00097 -0.00024 -0.06242 -0.00510 112 4PX 0.06378 0.01867 0.09102 0.01445 0.01653 113 4PY 0.49682 -0.00579 -0.01182 0.11276 0.03595 114 4PZ -0.00022 0.00004 -0.00005 -0.00005 -0.00001 115 8 H 1S 0.17689 -0.31029 -0.00006 0.01426 -0.01543 116 2S 0.21826 -0.38314 0.00061 0.15256 0.17393 117 3S -0.12622 0.22132 0.00023 -0.06246 -0.01349 118 4PX -0.18637 0.35048 0.05546 -0.09038 -0.07814 119 4PY 0.16308 -0.25532 0.07304 0.06891 0.06177 120 4PZ -0.00031 0.00054 0.00004 -0.00013 -0.00012 121 9 H 1S -0.18011 -0.30897 -0.00001 0.01425 -0.00967 122 2S -0.22237 -0.38433 -0.00077 0.15260 0.10853 123 3S 0.12851 0.21947 -0.00015 -0.06240 -0.00807 124 4PX 0.22574 0.40308 -0.03517 -0.10485 -0.05327 125 4PY 0.11247 0.15806 0.08479 -0.04386 -0.03327 126 4PZ 0.00016 0.00032 -0.00001 -0.00007 -0.00003 127 10 H 1S -0.35777 0.00228 -0.00009 0.01426 0.00605 128 2S -0.44429 0.00416 0.00078 0.15257 -0.06759 129 3S 0.25444 -0.00106 0.00015 -0.06244 0.00491 130 4PX 0.06406 0.01867 -0.09108 -0.01449 0.01667 131 4PY 0.49685 -0.00611 0.01144 -0.11273 0.03671 132 4PZ -0.00001 0.00001 -0.00014 0.00001 0.00000 133 11 H 1S -0.17693 0.30980 0.00007 0.01423 0.01544 134 2S -0.21846 0.38259 -0.00056 0.15251 -0.17373 135 3S 0.12626 -0.22108 -0.00024 -0.06241 0.01350 136 4PX -0.18664 0.35026 -0.05569 0.09039 -0.07813 137 4PY 0.16304 -0.25468 -0.07289 -0.06883 0.06162 138 4PZ -0.00021 0.00040 0.00006 0.00010 -0.00008 139 12 H 1S 0.18024 0.30919 0.00002 0.01428 0.00944 140 2S 0.22249 0.38446 0.00051 0.15264 -0.10696 141 3S -0.12857 -0.21958 0.00021 -0.06244 0.00824 142 4PX 0.22588 0.40325 0.03556 0.10490 -0.05259 143 4PY 0.11245 0.15805 -0.08460 0.04385 -0.03294 144 4PZ 0.00003 0.00007 0.00010 0.00002 -0.00001 141 142 143 144 V V V V Eigenvalues -- 23.92914 24.08078 24.08121 24.18510 1 1 C 1S -1.09124 -1.10642 0.40164 0.83501 2 2S 1.19942 1.22199 -0.44360 -0.92556 3 2PX 0.03086 -0.01520 -0.05051 -0.00298 4 2PY -0.00755 0.02908 -0.00351 -0.02366 5 2PZ 0.00001 -0.00002 -0.00001 0.00001 6 3S -0.42922 -0.40727 0.14753 0.33257 7 3PX -0.13156 0.04512 0.15711 0.00822 8 3PY -0.00621 -0.11012 0.01792 0.06786 9 3PZ -0.00002 0.00007 0.00002 -0.00004 10 4S 0.10757 0.18853 -0.06905 -1.03539 11 4PX 0.03251 0.01938 -0.02667 -0.08497 12 4PY 0.10292 0.20332 -0.07199 -0.66775 13 4PZ -0.00003 -0.00008 0.00007 0.00036 14 5D 0 0.04689 0.09335 -0.03408 -0.08164 15 5D+1 0.00002 -0.00008 -0.00001 0.00003 16 5D-1 0.00002 0.00008 0.00002 -0.00004 17 5D+2 -0.00884 -0.03466 0.03558 0.04164 18 5D-2 -0.06784 0.04043 0.07281 -0.01109 19 2 C 1S -0.15310 0.19180 -1.16193 -0.83533 20 2S 0.16829 -0.21183 1.28332 0.92591 21 2PX 0.05018 0.03550 -0.01681 -0.01893 22 2PY 0.06481 0.03862 0.02466 0.01446 23 2PZ 0.00000 0.00000 0.00000 -0.00001 24 3S -0.06057 0.07018 -0.42774 -0.33281 25 3PX -0.20222 -0.11252 0.06842 0.05405 26 3PY -0.27050 -0.11764 -0.08978 -0.04190 27 3PZ -0.00001 0.00000 -0.00006 -0.00001 28 4S 0.01370 -0.03142 0.19971 1.03561 29 4PX 0.01920 0.03902 -0.16917 -0.53485 30 4PY 0.04806 -0.00655 0.13343 0.40853 31 4PZ -0.00003 0.00002 -0.00015 -0.00037 32 5D 0 0.00643 -0.01638 0.09812 0.08161 33 5D+1 0.00000 -0.00001 -0.00006 -0.00008 34 5D-1 0.00001 -0.00002 0.00005 0.00004 35 5D+2 0.16998 0.07861 0.02715 0.01170 36 5D-2 0.04818 0.02971 -0.04033 -0.04147 37 3 C 1S 0.92697 0.90303 0.75695 0.83171 38 2S -1.01888 -0.99735 -0.83603 -0.92190 39 2PX -0.02238 0.03330 0.00112 0.02180 40 2PY 0.04536 -0.02233 0.04500 0.00943 41 2PZ -0.00002 0.00004 0.00000 0.00002 42 3S 0.36491 0.33209 0.27877 0.33133 43 3PX 0.06242 -0.11760 -0.01605 -0.06211 44 3PY -0.19961 0.06212 -0.14526 -0.02768 45 3PZ 0.00007 -0.00013 -0.00001 -0.00007 46 4S -0.08968 -0.15818 -0.12986 -1.03483 47 4PX 0.07023 0.16067 0.12352 0.62010 48 4PY 0.06268 0.05482 0.06744 0.26026 49 4PZ 0.00004 0.00011 0.00011 0.00050 50 5D 0 -0.03968 -0.07637 -0.06385 -0.08130 51 5D+1 -0.00001 0.00015 0.00002 0.00007 52 5D-1 0.00006 -0.00010 0.00001 -0.00006 53 5D+2 -0.07235 0.01266 -0.06807 -0.03068 54 5D-2 0.08181 -0.06285 0.02513 -0.02999 55 4 C 1S 1.08821 -1.10424 0.41269 -0.83016 56 2S -1.19609 1.21958 -0.45581 0.92018 57 2PX 0.03041 0.01423 0.05069 -0.00320 58 2PY -0.00755 -0.02904 0.00354 -0.02350 59 2PZ 0.00002 0.00003 0.00003 0.00001 60 3S 0.42817 -0.40617 0.15218 -0.33069 61 3PX -0.13037 -0.04060 -0.15805 0.00976 62 3PY -0.00627 0.10937 -0.01856 0.06711 63 3PZ -0.00003 -0.00011 -0.00009 -0.00004 64 4S -0.10690 0.19296 -0.07129 1.03470 65 4PX 0.03231 -0.02052 0.02713 -0.08643 66 4PY 0.10227 -0.20575 0.07360 -0.66667 67 4PZ -0.00003 0.00006 -0.00001 0.00021 68 5D 0 -0.04667 0.09333 -0.03472 0.08117 69 5D+1 0.00002 -0.00014 0.00001 -0.00015 70 5D-1 0.00004 0.00007 0.00003 0.00004 71 5D+2 0.00864 -0.03529 0.03585 -0.04158 72 5D-2 0.06729 0.03817 0.07322 0.01024 73 5 C 1S 0.16319 0.20839 -1.15942 0.83345 74 2S -0.17936 -0.23016 1.28055 -0.92384 75 2PX 0.05007 -0.03564 0.01731 -0.01888 76 2PY 0.06501 -0.03863 -0.02403 0.01444 77 2PZ -0.00002 0.00001 0.00003 -0.00002 78 3S 0.06390 0.07709 -0.42662 0.33208 79 3PX -0.20193 0.11362 -0.07066 0.05439 80 3PY -0.27094 0.11734 0.08669 -0.04118 81 3PZ 0.00007 -0.00002 -0.00014 0.00006 82 4S -0.01592 -0.03780 0.20051 -1.03542 83 4PX 0.01749 -0.04261 0.16991 -0.53558 84 4PY 0.04938 0.00912 -0.13297 0.40705 85 4PZ -0.00002 -0.00001 0.00020 -0.00055 86 5D 0 -0.00713 -0.01741 0.09800 -0.08143 87 5D+1 -0.00007 0.00007 -0.00006 0.00004 88 5D-1 -0.00019 0.00007 0.00012 -0.00009 89 5D+2 -0.17013 0.07875 0.02526 -0.01131 90 5D-2 -0.04801 0.03006 -0.04085 0.04149 91 6 C 1S -0.93406 0.90727 0.75062 -0.83477 92 2S 1.02665 -1.00205 -0.82904 0.92529 93 2PX -0.02239 -0.03358 -0.00135 0.02202 94 2PY 0.04572 0.02317 -0.04442 0.00910 95 2PZ -0.00004 -0.00002 0.00003 0.00000 96 3S -0.36729 0.33404 0.27608 -0.33252 97 3PX 0.06251 0.11948 0.01673 -0.06324 98 3PY -0.20044 -0.06582 0.14237 -0.02583 99 3PZ 0.00017 0.00004 -0.00012 0.00001 100 4S 0.09119 -0.15407 -0.13000 1.03530 101 4PX 0.07158 -0.15875 -0.12371 0.62118 102 4PY 0.06335 -0.05330 -0.06699 0.25907 103 4PZ -0.00002 -0.00002 0.00000 -0.00001 104 5D 0 0.04018 -0.07650 -0.06352 0.08159 105 5D+1 0.00005 0.00006 0.00001 -0.00006 106 5D-1 0.00009 -0.00007 -0.00013 0.00013 107 5D+2 0.07276 0.01418 -0.06696 0.03005 108 5D-2 -0.08198 -0.06432 0.02411 0.03085 109 7 H 1S -0.01446 -0.02369 0.00863 0.02751 110 2S 0.16291 0.13859 -0.05028 -0.17481 111 3S -0.01240 0.02124 -0.00789 -0.10151 112 4PX 0.00700 0.01047 0.00302 -0.00607 113 4PY 0.09304 0.06365 -0.02388 -0.04715 114 4PZ -0.00004 -0.00002 0.00001 0.00001 115 8 H 1S -0.00198 0.00413 -0.02493 -0.02751 116 2S 0.02282 -0.02382 0.14558 0.17479 117 3S -0.00196 -0.00369 0.02251 0.10145 118 4PX -0.01815 0.00493 -0.05449 -0.03784 119 4PY -0.00210 -0.01175 0.04006 0.02880 120 4PZ -0.00001 0.00002 -0.00009 -0.00011 121 9 H 1S 0.01225 0.01940 0.01622 0.02743 122 2S -0.13826 -0.11337 -0.09481 -0.17441 123 3S 0.01078 -0.01783 -0.01457 -0.10141 124 4PX 0.07609 0.04689 0.04261 0.04371 125 4PY 0.02335 0.02400 0.01239 0.01822 126 4PZ 0.00005 0.00003 0.00002 0.00002 127 10 H 1S 0.01441 -0.02371 0.00883 -0.02740 128 2S -0.16240 0.13859 -0.05179 0.17421 129 3S 0.01245 0.02171 -0.00794 0.10137 130 4PX 0.00704 -0.01029 -0.00296 -0.00597 131 4PY 0.09280 -0.06346 0.02468 -0.04689 132 4PZ -0.00001 0.00000 0.00000 -0.00002 133 11 H 1S 0.00220 0.00446 -0.02490 0.02748 134 2S -0.02427 -0.02634 0.14522 -0.17452 135 3S 0.00179 -0.00410 0.02262 -0.10140 136 4PX -0.01869 -0.00587 0.05422 -0.03771 137 4PY -0.00171 0.01249 -0.04001 0.02875 138 4PZ -0.00001 -0.00001 0.00006 -0.00004 139 12 H 1S -0.01238 0.01942 0.01612 -0.02750 140 2S 0.13934 -0.11362 -0.09411 0.17479 141 3S -0.01067 -0.01735 -0.01471 0.10148 142 4PX 0.07658 -0.04718 -0.04216 0.04384 143 4PY 0.02351 -0.02427 -0.01231 0.01836 144 4PZ 0.00002 -0.00001 -0.00001 0.00002 Density Matrix: 1 2 3 4 5 1 1 C 1S 0.65853 2 2S 0.56011 0.48917 3 2PX -0.00011 -0.00014 0.09087 4 2PY -0.00086 -0.00113 -0.00038 0.08805 5 2PZ 0.00000 0.00000 0.00001 -0.00001 0.06857 6 3S -0.08153 -0.14234 0.00054 0.00431 0.00001 7 3PX -0.00008 -0.00017 0.12752 -0.00053 0.00002 8 3PY -0.00058 -0.00131 -0.00054 0.12347 -0.00001 9 3PZ 0.00000 0.00000 0.00002 -0.00001 0.10414 10 4S -0.07766 -0.10859 -0.00157 -0.01248 0.00001 11 4PX -0.00149 -0.00141 0.06255 0.00078 -0.00001 12 4PY -0.01166 -0.01102 0.00078 0.06849 0.00000 13 4PZ 0.00000 0.00000 0.00001 0.00001 0.09457 14 5D 0 0.00070 0.00266 -0.00004 -0.00033 0.00000 15 5D+1 0.00000 0.00000 -0.00001 0.00000 0.00063 16 5D-1 0.00000 0.00000 0.00000 0.00000 0.00496 17 5D+2 -0.00021 -0.00034 0.00362 0.00771 -0.00001 18 5D-2 0.00005 0.00009 0.00967 -0.00337 0.00000 19 2 C 1S 0.00535 0.00849 -0.01766 -0.00739 0.00001 20 2S 0.00849 0.01302 -0.02822 -0.01177 0.00001 21 2PX 0.01767 0.02820 -0.05829 -0.02474 -0.00002 22 2PY 0.00738 0.01182 -0.02725 -0.00700 0.00002 23 2PZ 0.00000 0.00000 -0.00002 0.00001 0.04447 24 3S -0.02218 -0.03315 0.07889 0.03248 -0.00003 25 3PX 0.02993 0.04429 -0.08121 -0.03549 -0.00004 26 3PY 0.01290 0.01886 -0.03775 -0.01059 0.00003 27 3PZ 0.00001 0.00001 -0.00002 0.00002 0.06770 28 4S 0.00956 0.00780 0.04557 0.02896 -0.00005 29 4PX 0.00303 0.00886 -0.04963 -0.01451 -0.00005 30 4PY 0.00824 0.01016 -0.01551 -0.00218 0.00002 31 4PZ 0.00000 0.00000 -0.00002 0.00002 0.05878 32 5D 0 0.00182 0.00233 -0.00174 -0.00092 0.00000 33 5D+1 0.00000 0.00000 0.00000 0.00000 -0.00707 34 5D-1 0.00000 0.00000 0.00000 0.00000 -0.00298 35 5D+2 -0.00396 -0.00512 0.00214 0.00872 0.00000 36 5D-2 -0.00371 -0.00486 0.00738 -0.00446 0.00000 37 3 C 1S -0.00111 -0.00167 0.00323 0.00290 0.00000 38 2S -0.00167 -0.00264 0.00507 0.00454 0.00000 39 2PX -0.00194 -0.00303 0.00465 0.00183 0.00000 40 2PY -0.00388 -0.00609 0.00835 0.00745 -0.00001 41 2PZ 0.00000 0.00000 0.00001 0.00000 -0.00361 42 3S 0.00480 0.00778 -0.01453 -0.01338 0.00000 43 3PX -0.00224 -0.00383 0.00639 0.00320 0.00000 44 3PY -0.00304 -0.00594 0.01146 0.00839 -0.00001 45 3PZ 0.00000 0.00000 0.00001 0.00000 -0.00501 46 4S -0.00782 -0.00658 -0.01084 -0.02494 0.00002 47 4PX 0.00106 -0.00072 0.01005 0.00219 0.00000 48 4PY -0.00192 -0.00422 0.01141 0.01869 -0.00002 49 4PZ 0.00000 0.00000 0.00001 0.00000 -0.01263 50 5D 0 0.00014 0.00018 0.00002 -0.00075 0.00000 51 5D+1 0.00000 0.00000 0.00000 0.00000 0.00123 52 5D-1 0.00000 0.00000 0.00000 0.00000 -0.00669 53 5D+2 0.00020 -0.00017 0.00211 -0.00062 0.00000 54 5D-2 -0.00208 -0.00315 0.00642 0.00303 0.00000 55 4 C 1S -0.00103 -0.00148 0.00028 0.00214 0.00000 56 2S -0.00148 -0.00224 0.00042 0.00329 0.00000 57 2PX -0.00027 -0.00042 -0.00662 0.00147 0.00002 58 2PY -0.00214 -0.00329 0.00148 0.00470 -0.00001 59 2PZ 0.00000 0.00000 -0.00001 -0.00001 -0.02768 60 3S 0.00348 0.00589 -0.00123 -0.00950 0.00001 61 3PX -0.00030 -0.00051 -0.00737 0.00177 0.00003 62 3PY -0.00240 -0.00402 0.00178 0.00625 -0.00001 63 3PZ 0.00000 0.00000 -0.00001 -0.00002 -0.04140 64 4S 0.01209 0.01416 -0.00162 -0.01258 0.00000 65 4PX -0.00082 -0.00088 -0.00981 0.00134 0.00004 66 4PY -0.00637 -0.00684 0.00136 0.00056 0.00001 67 4PZ 0.00000 0.00001 -0.00001 -0.00002 -0.04836 68 5D 0 0.00010 0.00020 -0.00008 -0.00062 0.00000 69 5D+1 0.00000 0.00000 0.00000 0.00000 -0.00003 70 5D-1 0.00000 0.00000 0.00000 0.00000 -0.00026 71 5D+2 -0.00097 -0.00146 0.00042 0.00115 0.00000 72 5D-2 0.00025 0.00038 0.00102 -0.00044 0.00000 73 5 C 1S -0.00111 -0.00167 -0.00239 0.00362 0.00000 74 2S -0.00167 -0.00264 -0.00376 0.00567 0.00000 75 2PX 0.00090 0.00140 0.00235 -0.00050 0.00000 76 2PY -0.00424 -0.00666 -0.00702 0.00976 -0.00001 77 2PZ 0.00000 0.00001 0.00000 -0.00001 -0.00361 78 3S 0.00480 0.00778 0.01068 -0.01662 0.00001 79 3PX 0.00140 0.00220 0.00294 -0.00178 0.00000 80 3PY -0.00351 -0.00672 -0.01004 0.01185 -0.00001 81 3PZ 0.00000 0.00001 0.00001 -0.00002 -0.00501 82 4S -0.00781 -0.00657 0.00420 -0.02688 0.00002 83 4PX -0.00151 -0.00038 0.00726 0.00080 0.00001 84 4PY -0.00160 -0.00427 -0.00844 0.02147 -0.00003 85 4PZ 0.00000 0.00000 0.00000 -0.00002 -0.01262 86 5D 0 0.00014 0.00018 -0.00021 -0.00072 0.00001 87 5D+1 0.00000 0.00000 0.00000 0.00000 -0.00289 88 5D-1 0.00000 0.00000 0.00000 -0.00001 -0.00617 89 5D+2 0.00119 0.00139 0.00074 -0.00228 0.00001 90 5D-2 0.00172 0.00283 0.00582 -0.00393 0.00000 91 6 C 1S 0.00536 0.00849 0.01523 -0.01161 0.00001 92 2S 0.00849 0.01304 0.02435 -0.01852 0.00001 93 2PX -0.01524 -0.02432 -0.04234 0.03397 -0.00004 94 2PY 0.01161 0.01856 0.03648 -0.02295 0.00005 95 2PZ -0.00001 -0.00002 -0.00004 0.00005 0.04454 96 3S -0.02220 -0.03317 -0.06817 0.05134 -0.00003 97 3PX -0.02572 -0.03812 -0.05883 0.04807 -0.00006 98 3PY 0.02005 0.02943 0.05035 -0.03295 0.00007 99 3PZ -0.00002 -0.00003 -0.00005 0.00007 0.06780 100 4S 0.00956 0.00780 -0.03679 0.03951 -0.00001 101 4PX -0.00086 -0.00601 -0.03927 0.02419 -0.00004 102 4PY 0.00873 0.01206 0.02519 -0.01253 0.00006 103 4PZ -0.00001 -0.00001 -0.00003 0.00005 0.05888 104 5D 0 0.00183 0.00233 0.00146 -0.00133 0.00001 105 5D+1 0.00000 0.00000 0.00000 0.00001 0.00609 106 5D-1 0.00000 0.00000 0.00001 0.00000 -0.00467 107 5D+2 -0.00164 -0.00209 0.00415 0.00904 0.00000 108 5D-2 0.00517 0.00674 0.00715 -0.00224 0.00001 109 7 H 1S -0.01965 -0.03097 -0.00940 -0.07340 0.00003 110 2S -0.03153 -0.04496 -0.01346 -0.10514 0.00005 111 3S -0.00341 -0.00534 -0.00629 -0.04912 0.00002 112 4PX -0.00081 -0.00102 0.00490 -0.00157 0.00000 113 4PY -0.00631 -0.00797 -0.00157 -0.00713 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00001 0.00552 115 8 H 1S 0.00394 0.00653 -0.01270 -0.00049 0.00000 116 2S 0.00678 0.01067 -0.02175 0.00104 0.00001 117 3S 0.00613 0.00847 -0.02100 0.00530 0.00000 118 4PX 0.00100 0.00125 -0.00264 0.00006 -0.00001 119 4PY 0.00048 0.00094 -0.00200 -0.00177 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00350 121 9 H 1S -0.00260 -0.00408 0.00812 0.00355 0.00000 122 2S -0.00457 -0.00681 0.01377 0.00790 0.00000 123 3S -0.00340 -0.00513 0.01424 0.00736 0.00000 124 4PX 0.00014 0.00008 0.00047 -0.00006 0.00000 125 4PY -0.00007 -0.00018 0.00048 0.00032 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00053 127 10 H 1S -0.00059 -0.00080 0.00011 0.00085 0.00000 128 2S -0.00022 -0.00073 0.00032 0.00247 -0.00001 129 3S 0.00120 0.00129 -0.00013 -0.00105 0.00000 130 4PX 0.00004 0.00006 -0.00043 0.00000 0.00000 131 4PY 0.00033 0.00045 0.00000 -0.00042 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00255 133 11 H 1S -0.00260 -0.00408 -0.00696 0.00548 0.00000 134 2S -0.00457 -0.00681 -0.01134 0.01111 0.00000 135 3S -0.00340 -0.00513 -0.01192 0.01072 -0.00001 136 4PX -0.00015 -0.00012 0.00036 0.00005 0.00000 137 4PY -0.00004 -0.00016 -0.00049 0.00044 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00053 139 12 H 1S 0.00394 0.00653 0.01217 -0.00368 0.00000 140 2S 0.00678 0.01066 0.02130 -0.00449 0.00000 141 3S 0.00613 0.00846 0.02164 -0.00016 0.00000 142 4PX -0.00085 -0.00097 -0.00211 0.00003 0.00000 143 4PY 0.00072 0.00122 0.00209 -0.00230 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00350 6 7 8 9 10 6 3S 0.42718 7 3PX 0.00095 0.17915 8 3PY 0.00735 -0.00078 0.17318 9 3PZ 0.00001 0.00002 -0.00001 0.15816 10 4S 0.25320 -0.00214 -0.01710 0.00001 0.17467 11 4PX 0.00123 0.08720 0.00114 -0.00001 -0.00005 12 4PY 0.00957 0.00114 0.09587 0.00001 -0.00054 13 4PZ 0.00001 0.00001 0.00002 0.14351 0.00000 14 5D 0 -0.01184 -0.00007 -0.00054 -0.00001 -0.00601 15 5D+1 0.00000 -0.00001 0.00000 0.00096 -0.00002 16 5D-1 -0.00001 0.00000 0.00001 0.00757 0.00000 17 5D+2 0.00115 0.00514 0.01079 -0.00001 -0.00337 18 5D-2 -0.00030 0.01384 -0.00475 0.00000 0.00088 19 2 C 1S -0.02218 -0.03020 -0.01224 0.00001 0.00954 20 2S -0.03315 -0.04453 -0.01829 0.00002 0.00778 21 2PX -0.07852 -0.08204 -0.03467 -0.00003 -0.05263 22 2PY -0.03335 -0.03694 -0.00976 0.00003 -0.01209 23 2PZ -0.00001 -0.00002 0.00002 0.06770 -0.00013 24 3S 0.08281 0.11326 0.04676 -0.00005 0.00006 25 3PX -0.11283 -0.11424 -0.04974 -0.00005 -0.07543 26 3PY -0.04778 -0.05110 -0.01476 0.00004 -0.01787 27 3PZ -0.00001 -0.00004 0.00003 0.10307 -0.00020 28 4S 0.00002 0.06570 0.04112 -0.00007 -0.04024 29 4PX -0.03686 -0.06990 -0.02032 -0.00008 -0.02358 30 4PY -0.01946 -0.02101 -0.00305 0.00004 -0.00565 31 4PZ 0.00000 -0.00003 0.00003 0.08940 -0.00018 32 5D 0 -0.00460 -0.00250 -0.00134 0.00000 -0.00145 33 5D+1 -0.00001 -0.00001 0.00000 -0.01073 -0.00001 34 5D-1 0.00000 0.00000 0.00000 -0.00447 -0.00001 35 5D+2 0.01078 0.00279 0.01222 0.00000 0.00536 36 5D-2 0.01021 0.01020 -0.00621 0.00000 0.00981 37 3 C 1S 0.00480 0.00233 0.00297 0.00000 -0.00782 38 2S 0.00778 0.00472 0.00527 0.00000 -0.00658 39 2PX 0.00905 0.00450 0.00268 0.00000 0.02116 40 2PY 0.01755 0.01094 0.01028 -0.00001 0.01706 41 2PZ 0.00001 0.00001 0.00000 -0.00501 -0.00009 42 3S -0.02298 -0.01706 -0.01771 0.00001 -0.00001 43 3PX 0.01256 0.00616 0.00463 0.00000 0.02973 44 3PY 0.02114 0.01489 0.01153 -0.00002 0.02199 45 3PZ 0.00002 0.00002 0.00000 -0.00688 -0.00014 46 4S -0.00003 -0.01332 -0.03451 0.00003 0.02503 47 4PX 0.00974 0.01227 0.00328 0.00000 0.01334 48 4PY 0.01622 0.01562 0.02609 -0.00002 0.01253 49 4PZ 0.00000 0.00001 -0.00001 -0.01858 -0.00016 50 5D 0 -0.00032 -0.00004 -0.00109 0.00001 0.00011 51 5D+1 0.00000 0.00000 0.00000 0.00181 0.00000 52 5D-1 0.00000 0.00000 0.00000 -0.01014 0.00002 53 5D+2 0.00196 0.00267 -0.00085 0.00000 0.00255 54 5D-2 0.00829 0.00891 0.00426 0.00001 0.00693 55 4 C 1S 0.00348 0.00031 0.00240 0.00000 0.01210 56 2S 0.00589 0.00052 0.00401 0.00000 0.01416 57 2PX 0.00121 -0.00737 0.00177 0.00003 0.00159 58 2PY 0.00951 0.00178 0.00625 -0.00001 0.01258 59 2PZ -0.00001 0.00000 -0.00002 -0.04140 0.00000 60 3S -0.01779 -0.00165 -0.01274 0.00002 -0.02437 61 3PX 0.00161 -0.00753 0.00204 0.00004 0.00221 62 3PY 0.01275 0.00207 0.00825 -0.00002 0.01748 63 3PZ -0.00001 0.00000 -0.00003 -0.06190 0.00000 64 4S -0.02437 -0.00225 -0.01747 0.00000 -0.03662 65 4PX 0.00119 -0.01276 0.00173 0.00005 0.00181 66 4PY 0.00939 0.00175 0.00061 0.00001 0.01426 67 4PZ -0.00001 -0.00001 -0.00004 -0.07261 0.00000 68 5D 0 -0.00067 -0.00012 -0.00091 0.00000 -0.00023 69 5D+1 0.00001 0.00000 0.00000 -0.00006 -0.00002 70 5D-1 0.00000 0.00000 0.00000 -0.00044 0.00000 71 5D+2 0.00397 0.00047 0.00163 0.00000 0.00482 72 5D-2 -0.00104 0.00094 -0.00056 0.00000 -0.00126 73 5 C 1S 0.00480 -0.00151 0.00346 0.00000 -0.00782 74 2S 0.00778 -0.00324 0.00629 0.00000 -0.00657 75 2PX -0.00433 0.00154 -0.00040 0.00000 -0.01617 76 2PY 0.01928 -0.00866 0.01324 -0.00001 0.02187 77 2PZ -0.00003 0.00001 -0.00002 -0.00501 0.00009 78 3S -0.02299 0.01203 -0.02145 0.00001 -0.00003 79 3PX -0.00682 0.00173 -0.00207 0.00000 -0.02322 80 3PY 0.02364 -0.01234 0.01596 -0.00001 0.02881 81 3PZ -0.00004 0.00001 -0.00002 -0.00688 0.00015 82 4S -0.00005 0.00418 -0.03676 0.00003 0.02502 83 4PX -0.00530 0.00852 0.00132 0.00002 -0.00972 84 4PY 0.01816 -0.01104 0.02983 -0.00004 0.01551 85 4PZ -0.00002 0.00001 -0.00003 -0.01857 0.00016 86 5D 0 -0.00032 -0.00024 -0.00107 0.00001 0.00011 87 5D+1 0.00000 -0.00001 0.00000 -0.00432 0.00000 88 5D-1 -0.00001 0.00000 -0.00001 -0.00937 -0.00002 89 5D+2 -0.00234 0.00124 -0.00324 0.00001 -0.00115 90 5D-2 -0.00819 0.00795 -0.00548 0.00001 -0.00729 91 6 C 1S -0.02220 0.02615 -0.01948 0.00001 0.00956 92 2S -0.03317 0.03850 -0.02894 0.00002 0.00780 93 2PX 0.06759 -0.05995 0.04776 -0.00006 0.04784 94 2PY -0.05210 0.05004 -0.03183 0.00007 -0.02498 95 2PZ 0.00005 -0.00005 0.00007 0.06780 0.00015 96 3S 0.08286 -0.09782 0.07383 -0.00004 0.00000 97 3PX 0.09714 -0.08327 0.06760 -0.00008 0.06842 98 3PY -0.07472 0.06899 -0.04568 0.00011 -0.03633 99 3PZ 0.00008 -0.00007 0.00010 0.10321 0.00022 100 4S 0.00002 -0.05319 0.05634 -0.00001 -0.04030 101 4PX 0.03075 -0.05555 0.03400 -0.00006 0.02134 102 4PY -0.02812 0.03470 -0.01739 0.00009 -0.01140 103 4PZ 0.00003 -0.00004 0.00007 0.08954 0.00019 104 5D 0 -0.00461 0.00208 -0.00193 0.00001 -0.00145 105 5D+1 0.00001 0.00000 0.00001 0.00926 0.00001 106 5D-1 -0.00001 0.00001 0.00000 -0.00703 0.00001 107 5D+2 0.00443 0.00593 0.01262 0.00000 -0.00011 108 5D-2 -0.01417 0.00979 -0.00311 0.00001 -0.01117 109 7 H 1S 0.08218 -0.01315 -0.10265 0.00005 0.06278 110 2S 0.10505 -0.01884 -0.14705 0.00006 0.08247 111 3S 0.01309 -0.00881 -0.06879 0.00003 0.01808 112 4PX 0.00198 0.00688 -0.00219 0.00000 0.00130 113 4PY 0.01550 -0.00219 -0.00995 0.00001 0.01017 114 4PZ -0.00001 0.00000 0.00001 0.00838 0.00000 115 8 H 1S -0.01917 -0.01797 -0.00045 0.00001 -0.03129 116 2S -0.02958 -0.03073 0.00178 0.00001 -0.04567 117 3S -0.01945 -0.02959 0.00744 0.00000 -0.02250 118 4PX -0.00234 -0.00367 0.00003 -0.00001 0.00051 119 4PY -0.00319 -0.00275 -0.00244 0.00001 -0.00319 120 4PZ 0.00000 0.00000 0.00001 0.00532 -0.00001 121 9 H 1S 0.01185 0.01017 0.00526 0.00000 0.02407 122 2S 0.01857 0.01743 0.01147 -0.00001 0.03463 123 3S 0.01394 0.01875 0.01044 0.00000 0.01757 124 4PX 0.00011 0.00071 -0.00013 0.00000 -0.00159 125 4PY 0.00071 0.00070 0.00043 0.00000 -0.00033 126 4PZ 0.00000 0.00000 0.00000 -0.00078 -0.00001 127 10 H 1S 0.00218 0.00014 0.00103 0.00000 0.00278 128 2S 0.00362 0.00043 0.00324 -0.00001 0.00410 129 3S -0.00167 -0.00019 -0.00160 -0.00001 -0.00052 130 4PX -0.00015 -0.00048 -0.00001 0.00000 -0.00015 131 4PY -0.00113 -0.00001 -0.00057 0.00000 -0.00117 132 4PZ 0.00000 0.00000 0.00000 -0.00383 0.00000 133 11 H 1S 0.01184 -0.00851 0.00764 0.00000 0.02407 134 2S 0.01856 -0.01397 0.01549 0.00000 0.03463 135 3S 0.01394 -0.01551 0.01483 -0.00001 0.01757 136 4PX 0.00007 0.00055 0.00010 0.00000 0.00146 137 4PY 0.00071 -0.00073 0.00058 0.00000 -0.00072 138 4PZ 0.00000 0.00000 0.00000 -0.00078 0.00001 139 12 H 1S -0.01917 0.01727 -0.00497 0.00000 -0.03127 140 2S -0.02958 0.03018 -0.00603 0.00000 -0.04563 141 3S -0.01943 0.03049 -0.00024 0.00000 -0.02246 142 4PX 0.00146 -0.00293 0.00009 0.00000 -0.00131 143 4PY -0.00368 0.00288 -0.00318 0.00001 -0.00296 144 4PZ 0.00000 0.00000 0.00000 0.00533 0.00001 11 12 13 14 15 11 4PX 0.04656 12 4PY 0.00128 0.05630 13 4PZ -0.00001 0.00002 0.13224 14 5D 0 -0.00001 -0.00010 -0.00001 0.00039 15 5D+1 -0.00001 -0.00001 0.00082 0.00000 0.00121 16 5D-1 0.00000 0.00001 0.00645 0.00000 -0.00010 17 5D+2 0.00238 0.00663 -0.00001 -0.00006 0.00000 18 5D-2 0.00557 -0.00252 0.00000 0.00002 0.00000 19 2 C 1S -0.00800 0.00362 0.00001 0.00182 0.00000 20 2S -0.01346 0.00083 0.00001 0.00233 0.00000 21 2PX -0.04059 -0.02344 -0.00003 0.00188 0.00000 22 2PY -0.02442 -0.01121 0.00002 0.00060 0.00000 23 2PZ -0.00003 -0.00006 0.05879 0.00000 0.00708 24 3S 0.03974 0.01258 -0.00005 -0.00460 -0.00001 25 3PX -0.05669 -0.03337 -0.00005 0.00271 0.00000 26 3PY -0.03404 -0.01626 0.00004 0.00083 0.00000 27 3PZ -0.00004 -0.00008 0.08941 0.00000 0.01072 28 4S 0.02058 0.01281 -0.00006 -0.00145 0.00001 29 4PX -0.03412 -0.01341 -0.00007 0.00092 -0.00001 30 4PY -0.01437 -0.00671 0.00004 0.00041 0.00001 31 4PZ -0.00004 -0.00008 0.07909 0.00000 0.01040 32 5D 0 -0.00094 -0.00037 0.00000 0.00021 0.00000 33 5D+1 0.00000 0.00000 -0.00975 0.00000 0.00005 34 5D-1 0.00000 -0.00001 -0.00499 0.00000 0.00068 35 5D+2 0.00246 0.00753 0.00000 -0.00022 0.00000 36 5D-2 0.00606 -0.00310 0.00000 -0.00016 0.00000 37 3 C 1S 0.00214 -0.00052 0.00000 0.00014 0.00000 38 2S 0.00389 0.00181 0.00000 0.00018 0.00000 39 2PX 0.01461 0.00344 0.00001 0.00073 -0.00001 40 2PY 0.01267 0.01412 -0.00001 0.00018 0.00000 41 2PZ 0.00000 -0.00007 -0.01262 0.00000 0.00679 42 3S -0.01308 -0.01366 -0.00001 -0.00032 0.00000 43 3PX 0.02029 0.00547 0.00001 0.00104 -0.00001 44 3PY 0.01783 0.01806 -0.00001 0.00033 0.00000 45 3PZ 0.00001 -0.00010 -0.01857 0.00000 0.01027 46 4S -0.00856 -0.01617 0.00001 0.00011 -0.00002 47 4PX 0.01695 0.00243 0.00001 0.00029 0.00000 48 4PY 0.01190 0.02087 -0.00002 0.00006 0.00001 49 4PZ 0.00000 -0.00011 -0.02695 0.00000 0.00996 50 5D 0 0.00002 -0.00029 0.00001 0.00007 0.00000 51 5D+1 0.00000 0.00000 0.00269 0.00000 -0.00008 52 5D-1 0.00000 0.00001 -0.00958 0.00000 -0.00074 53 5D+2 0.00300 0.00086 0.00000 -0.00001 0.00000 54 5D-2 0.00506 0.00279 0.00001 -0.00014 0.00000 55 4 C 1S 0.00081 0.00637 -0.00001 0.00010 0.00000 56 2S 0.00087 0.00685 -0.00001 0.00020 0.00000 57 2PX -0.00981 0.00134 0.00004 0.00008 0.00000 58 2PY 0.00136 0.00056 -0.00001 0.00062 0.00000 59 2PZ 0.00000 -0.00001 -0.04836 0.00000 0.00003 60 3S -0.00121 -0.00939 0.00002 -0.00067 0.00000 61 3PX -0.01276 0.00173 0.00005 0.00012 0.00000 62 3PY 0.00175 0.00061 -0.00002 0.00091 0.00000 63 3PZ 0.00000 -0.00002 -0.07261 0.00000 0.00006 64 4S -0.00183 -0.01425 0.00000 -0.00023 0.00002 65 4PX -0.00959 0.00089 0.00006 0.00005 0.00000 66 4PY 0.00091 -0.00266 0.00001 0.00038 -0.00001 67 4PZ 0.00000 -0.00002 -0.08001 0.00000 -0.00007 68 5D 0 -0.00005 -0.00038 0.00000 0.00006 0.00000 69 5D+1 0.00000 -0.00001 0.00007 0.00000 0.00120 70 5D-1 0.00000 0.00000 0.00055 0.00000 -0.00018 71 5D+2 0.00105 0.00286 0.00000 0.00001 0.00000 72 5D-2 0.00248 -0.00110 0.00000 0.00000 0.00000 73 5 C 1S -0.00219 0.00004 0.00000 0.00014 0.00000 74 2S -0.00330 0.00273 0.00000 0.00018 0.00000 75 2PX 0.01065 -0.00253 0.00000 -0.00066 0.00000 76 2PY -0.01177 0.01809 -0.00002 0.00036 -0.00001 77 2PZ 0.00002 0.00006 -0.01262 -0.00001 -0.00641 78 3S 0.00919 -0.01653 0.00001 -0.00032 0.00000 79 3PX 0.01447 -0.00453 0.00001 -0.00093 0.00001 80 3PY -0.01690 0.02390 -0.00003 0.00059 -0.00001 81 3PZ 0.00004 0.00009 -0.01858 -0.00001 -0.00969 82 4S 0.00419 -0.01782 0.00003 0.00011 -0.00002 83 4PX 0.01368 -0.00055 0.00003 -0.00026 0.00000 84 4PY -0.01004 0.02413 -0.00005 0.00013 0.00000 85 4PZ 0.00003 0.00008 -0.02694 -0.00001 -0.00964 86 5D 0 -0.00009 -0.00028 0.00001 0.00007 0.00000 87 5D+1 0.00000 0.00000 -0.00503 0.00000 0.00011 88 5D-1 0.00000 -0.00001 -0.00860 0.00000 0.00063 89 5D+2 -0.00030 -0.00055 0.00001 0.00006 0.00000 90 5D-2 0.00497 -0.00424 0.00000 0.00013 0.00000 91 6 C 1S 0.00864 0.00149 0.00000 0.00183 0.00000 92 2S 0.01322 -0.00259 0.00000 0.00233 0.00000 93 2PX -0.02704 0.02755 -0.00004 -0.00167 0.00000 94 2PY 0.02856 -0.02476 0.00007 0.00105 -0.00001 95 2PZ -0.00002 0.00012 0.05888 -0.00001 -0.00611 96 3S -0.03528 0.02218 0.00000 -0.00461 0.00001 97 3PX -0.03765 0.03892 -0.00006 -0.00241 0.00001 98 3PY 0.03963 -0.03528 0.00010 0.00149 -0.00001 99 3PZ -0.00003 0.00018 0.08955 -0.00001 -0.00924 100 4S -0.01666 0.01755 0.00001 -0.00145 0.00002 101 4PX -0.02559 0.01830 -0.00005 -0.00079 0.00002 102 4PY 0.01929 -0.01524 0.00008 0.00063 0.00000 103 4PZ -0.00002 0.00016 0.07923 -0.00001 -0.00920 104 5D 0 0.00081 -0.00059 0.00001 0.00021 0.00000 105 5D+1 0.00000 0.00001 0.00818 0.00000 0.00000 106 5D-1 0.00001 0.00001 -0.00729 0.00000 -0.00070 107 5D+2 0.00283 0.00763 0.00000 -0.00011 0.00000 108 5D-2 0.00603 -0.00257 0.00001 0.00024 0.00000 109 7 H 1S -0.00727 -0.05670 0.00003 -0.00213 0.00000 110 2S -0.01048 -0.08173 0.00004 -0.00275 0.00000 111 3S -0.00511 -0.03987 0.00001 -0.00035 0.00000 112 4PX 0.00336 -0.00112 0.00000 -0.00005 0.00000 113 4PY -0.00112 -0.00524 0.00000 -0.00041 0.00000 114 4PZ 0.00000 0.00000 0.00767 0.00000 0.00005 115 8 H 1S -0.00982 -0.00284 0.00000 -0.00005 0.00001 116 2S -0.01624 -0.00249 0.00001 -0.00001 0.00001 117 3S -0.01488 0.00384 0.00000 0.00028 0.00001 118 4PX -0.00188 0.00017 -0.00001 0.00011 0.00000 119 4PY -0.00170 -0.00198 0.00001 0.00002 0.00000 120 4PZ 0.00000 0.00000 0.00467 0.00000 0.00059 121 9 H 1S 0.01659 0.00680 0.00000 0.00041 0.00000 122 2S 0.02566 0.01208 0.00000 0.00054 0.00000 123 3S 0.01797 0.00926 0.00000 0.00013 0.00000 124 4PX -0.00064 -0.00038 0.00000 -0.00006 0.00000 125 4PY 0.00005 0.00053 0.00000 -0.00003 0.00000 126 4PZ 0.00000 -0.00001 -0.00132 0.00000 0.00057 127 10 H 1S -0.00047 -0.00370 0.00000 0.00031 0.00000 128 2S -0.00061 -0.00483 -0.00001 0.00041 0.00000 129 3S -0.00069 -0.00546 0.00000 0.00020 0.00000 130 4PX -0.00064 0.00006 0.00000 0.00000 0.00000 131 4PY 0.00006 -0.00021 0.00000 -0.00003 0.00000 132 4PZ 0.00000 0.00000 -0.00432 0.00000 0.00000 133 11 H 1S -0.01434 0.01076 -0.00001 0.00041 0.00000 134 2S -0.02179 0.01815 -0.00001 0.00054 0.00000 135 3S -0.01505 0.01349 -0.00001 0.00013 0.00000 136 4PX -0.00049 0.00065 0.00000 0.00005 0.00000 137 4PY 0.00022 0.00038 0.00000 -0.00005 0.00000 138 4PZ 0.00000 0.00001 -0.00132 0.00000 -0.00054 139 12 H 1S 0.00879 -0.00522 0.00000 -0.00005 0.00000 140 2S 0.01510 -0.00649 0.00000 0.00000 0.00000 141 3S 0.01537 -0.00002 0.00000 0.00028 0.00000 142 4PX -0.00151 -0.00030 0.00000 -0.00011 0.00000 143 4PY 0.00158 -0.00235 0.00000 0.00005 0.00000 144 4PZ 0.00000 0.00001 0.00468 0.00000 -0.00052 16 17 18 19 20 16 5D-1 0.00047 17 5D+2 0.00000 0.00257 18 5D-2 0.00000 -0.00015 0.00202 19 2 C 1S 0.00000 -0.00365 -0.00401 0.65853 20 2S 0.00000 -0.00479 -0.00518 0.56011 0.48917 21 2PX 0.00000 -0.00190 -0.00774 0.00069 0.00090 22 2PY 0.00000 -0.00844 0.00449 -0.00053 -0.00070 23 2PZ 0.00294 0.00000 0.00000 0.00000 0.00000 24 3S 0.00000 0.01006 0.01092 -0.08153 -0.14234 25 3PX 0.00000 -0.00260 -0.01069 0.00047 0.00105 26 3PY 0.00000 -0.01171 0.00644 -0.00035 -0.00080 27 3PZ 0.00450 0.00000 0.00000 0.00001 0.00001 28 4S 0.00000 0.00973 0.00549 -0.07765 -0.10857 29 4PX 0.00000 -0.00194 -0.00711 0.00934 0.00882 30 4PY 0.00000 -0.00654 0.00345 -0.00712 -0.00673 31 4PZ 0.00344 0.00000 0.00000 0.00002 0.00003 32 5D 0 0.00000 -0.00015 -0.00022 0.00070 0.00266 33 5D+1 -0.00052 0.00000 0.00000 0.00000 0.00000 34 5D-1 -0.00011 0.00000 0.00000 0.00000 0.00000 35 5D+2 0.00000 0.00128 -0.00082 0.00005 0.00009 36 5D-2 0.00000 -0.00079 0.00126 -0.00021 -0.00034 37 3 C 1S 0.00000 0.00089 -0.00189 0.00536 0.00850 38 2S 0.00000 0.00175 -0.00262 0.00850 0.01304 39 2PX 0.00000 -0.00037 -0.00164 0.00244 0.00387 40 2PY 0.00000 0.00518 -0.00505 0.01900 0.03035 41 2PZ 0.00059 0.00000 0.00000 0.00001 0.00001 42 3S 0.00000 -0.00592 0.00612 -0.02221 -0.03319 43 3PX 0.00000 -0.00042 -0.00228 0.00380 0.00582 44 3PY 0.00000 0.00699 -0.00715 0.03239 0.04782 45 3PZ 0.00095 0.00000 0.00001 0.00001 0.00001 46 4S 0.00000 -0.00573 0.00464 0.00955 0.00779 47 4PX 0.00000 0.00071 -0.00114 -0.00561 -0.00437 48 4PY 0.00000 0.00556 -0.00323 0.00674 0.01275 49 4PZ -0.00005 0.00000 0.00001 0.00000 0.00001 50 5D 0 0.00000 0.00008 -0.00011 0.00183 0.00233 51 5D+1 -0.00012 0.00000 0.00000 0.00000 0.00000 52 5D-1 -0.00032 0.00000 0.00000 0.00000 0.00000 53 5D+2 0.00000 0.00040 -0.00033 0.00520 0.00677 54 5D-2 0.00000 -0.00006 0.00105 -0.00158 -0.00200 55 4 C 1S 0.00000 -0.00097 0.00025 -0.00111 -0.00167 56 2S 0.00000 -0.00146 0.00038 -0.00167 -0.00264 57 2PX 0.00000 -0.00043 -0.00102 0.00239 0.00376 58 2PY 0.00000 -0.00115 0.00044 -0.00362 -0.00567 59 2PZ 0.00026 0.00000 0.00000 0.00000 0.00000 60 3S 0.00000 0.00397 -0.00103 0.00480 0.00778 61 3PX 0.00000 -0.00047 -0.00094 0.00151 0.00324 62 3PY 0.00000 -0.00163 0.00056 -0.00346 -0.00629 63 3PZ 0.00044 0.00000 0.00000 0.00000 0.00000 64 4S 0.00000 0.00482 -0.00126 -0.00780 -0.00656 65 4PX 0.00000 -0.00105 -0.00248 0.00220 0.00331 66 4PY 0.00000 -0.00286 0.00110 -0.00004 -0.00273 67 4PZ -0.00055 0.00000 0.00000 0.00000 0.00000 68 5D 0 0.00000 0.00001 0.00000 0.00014 0.00018 69 5D+1 -0.00018 0.00000 0.00000 0.00000 0.00000 70 5D-1 -0.00020 0.00000 0.00000 0.00000 0.00000 71 5D+2 0.00000 0.00089 -0.00039 0.00170 0.00281 72 5D-2 0.00000 -0.00039 -0.00051 0.00121 0.00143 73 5 C 1S 0.00000 0.00170 0.00121 -0.00103 -0.00148 74 2S 0.00000 0.00281 0.00143 -0.00148 -0.00224 75 2PX 0.00000 0.00130 -0.00108 0.00171 0.00263 76 2PY 0.00001 0.00688 0.00223 -0.00131 -0.00201 77 2PZ 0.00228 0.00000 -0.00001 0.00000 -0.00001 78 3S -0.00001 -0.00816 -0.00245 0.00348 0.00588 79 3PX 0.00000 0.00170 -0.00141 0.00192 0.00322 80 3PY 0.00001 0.00947 0.00329 -0.00147 -0.00246 81 3PZ 0.00350 0.00000 -0.00001 -0.00001 -0.00001 82 4S 0.00000 -0.00728 -0.00126 0.01209 0.01416 83 4PX 0.00000 0.00048 -0.00060 0.00511 0.00549 84 4PY 0.00000 0.00652 0.00027 -0.00389 -0.00418 85 4PZ 0.00246 0.00000 -0.00001 0.00000 -0.00001 86 5D 0 0.00000 0.00013 0.00006 0.00010 0.00020 87 5D+1 0.00001 0.00000 0.00000 0.00000 0.00000 88 5D-1 -0.00051 0.00000 0.00000 0.00000 0.00000 89 5D+2 0.00000 0.00072 0.00052 0.00026 0.00040 90 5D-2 0.00000 0.00024 0.00073 -0.00096 -0.00146 91 6 C 1S 0.00000 -0.00123 0.00529 -0.00111 -0.00167 92 2S 0.00000 -0.00165 0.00686 -0.00167 -0.00264 93 2PX -0.00001 -0.00446 -0.00739 0.00412 0.00646 94 2PY 0.00000 -0.00872 0.00214 -0.00135 -0.00212 95 2PZ 0.00463 0.00000 -0.00001 0.00000 0.00000 96 3S -0.00001 0.00345 -0.01444 0.00480 0.00778 97 3PX -0.00001 -0.00623 -0.01023 0.00374 0.00692 98 3PY 0.00000 -0.01219 0.00276 -0.00054 -0.00145 99 3PZ 0.00706 0.00001 -0.00001 0.00000 0.00000 100 4S 0.00000 0.00581 -0.00954 -0.00781 -0.00657 101 4PX -0.00001 -0.00358 -0.00688 0.00062 0.00351 102 4PY 0.00000 -0.00671 0.00198 -0.00210 -0.00245 103 4PZ 0.00595 0.00000 -0.00001 0.00000 0.00000 104 5D 0 0.00000 -0.00003 0.00027 0.00014 0.00018 105 5D+1 0.00050 0.00000 0.00000 0.00000 0.00000 106 5D-1 -0.00006 0.00000 0.00000 0.00000 0.00000 107 5D+2 0.00000 0.00196 0.00043 -0.00208 -0.00314 108 5D-2 0.00000 0.00040 0.00058 0.00017 -0.00021 109 7 H 1S 0.00000 -0.00798 0.00208 0.00394 0.00653 110 2S -0.00001 -0.01200 0.00312 0.00678 0.01067 111 3S 0.00000 -0.00730 0.00190 0.00613 0.00846 112 4PX 0.00000 0.00010 0.00059 -0.00105 -0.00155 113 4PY 0.00000 -0.00044 0.00003 -0.00037 -0.00023 114 4PZ 0.00039 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 0.00555 -0.00584 -0.01965 -0.03097 116 2S 0.00000 0.00770 -0.00893 -0.03153 -0.04495 117 3S 0.00000 0.00331 -0.00567 -0.00341 -0.00533 118 4PX 0.00000 -0.00073 0.00019 0.00505 0.00639 119 4PY 0.00000 -0.00002 -0.00020 -0.00385 -0.00487 120 4PZ 0.00022 0.00000 0.00000 0.00001 0.00001 121 9 H 1S 0.00000 0.00049 -0.00109 0.00394 0.00653 122 2S 0.00000 0.00095 -0.00161 0.00678 0.01067 123 3S 0.00000 0.00142 -0.00036 0.00613 0.00847 124 4PX 0.00000 -0.00003 0.00027 0.00008 -0.00019 125 4PY 0.00000 0.00030 -0.00015 0.00111 0.00155 126 4PZ 0.00002 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 -0.00116 0.00030 -0.00260 -0.00408 128 2S 0.00000 -0.00223 0.00058 -0.00457 -0.00681 129 3S 0.00000 -0.00272 0.00071 -0.00340 -0.00513 130 4PX 0.00000 -0.00003 -0.00005 0.00013 0.00020 131 4PY 0.00000 -0.00014 0.00004 0.00008 -0.00002 132 4PZ -0.00001 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00096 0.00072 -0.00059 -0.00080 134 2S 0.00000 0.00162 0.00094 -0.00022 -0.00072 135 3S 0.00000 0.00142 -0.00038 0.00120 0.00129 136 4PX 0.00000 0.00024 0.00021 -0.00026 -0.00036 137 4PY 0.00000 0.00028 -0.00007 0.00020 0.00028 138 4PZ 0.00016 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00769 0.00240 -0.00260 -0.00408 140 2S 0.00001 0.01108 0.00404 -0.00457 -0.00681 141 3S 0.00000 0.00566 0.00333 -0.00340 -0.00513 142 4PX 0.00000 0.00073 -0.00014 -0.00004 0.00007 143 4PY 0.00000 -0.00010 0.00023 -0.00015 -0.00019 144 4PZ 0.00036 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2PX 0.08906 22 2PY 0.00141 0.08987 23 2PZ 0.00001 -0.00001 0.06857 24 3S -0.00345 0.00265 -0.00002 0.42720 25 3PX 0.12493 0.00202 0.00001 -0.00590 0.17535 26 3PY 0.00202 0.12606 -0.00001 0.00451 0.00297 27 3PZ 0.00001 -0.00001 0.10414 -0.00004 0.00000 28 4S 0.01000 -0.00766 0.00007 0.25317 0.01369 29 4PX 0.06634 -0.00295 -0.00009 -0.00765 0.09273 30 4PY -0.00295 0.06469 0.00006 0.00582 -0.00431 31 4PZ -0.00002 0.00001 0.09456 -0.00007 -0.00003 32 5D 0 0.00027 -0.00020 0.00000 -0.01184 0.00043 33 5D+1 0.00001 -0.00001 -0.00397 0.00001 0.00002 34 5D-1 -0.00001 0.00001 0.00304 -0.00001 -0.00001 35 5D+2 -0.00429 -0.00929 0.00000 -0.00033 -0.00618 36 5D-2 -0.00809 0.00271 -0.00001 0.00115 -0.01138 37 3 C 1S -0.00243 -0.01900 0.00000 -0.02221 -0.00451 38 2S -0.00392 -0.03034 0.00000 -0.03319 -0.00644 39 2PX 0.00271 -0.00797 -0.00003 -0.01039 0.00320 40 2PY -0.01048 -0.06800 0.00001 -0.08473 -0.01454 41 2PZ -0.00003 0.00002 0.04455 -0.00003 -0.00004 42 3S 0.01133 0.08460 0.00000 0.08290 0.01614 43 3PX 0.00350 -0.01114 -0.00005 -0.01504 0.00407 44 3PY -0.01342 -0.09527 0.00002 -0.12165 -0.01857 45 3PZ -0.00004 0.00003 0.06781 -0.00004 -0.00007 46 4S -0.00229 0.05392 -0.00011 0.00002 -0.00275 47 4PX -0.00105 -0.01253 0.00001 -0.00156 -0.00189 48 4PY -0.01354 -0.05076 0.00004 -0.04165 -0.01896 49 4PZ -0.00003 0.00003 0.05888 -0.00004 -0.00005 50 5D 0 -0.00008 -0.00197 0.00000 -0.00461 -0.00008 51 5D+1 0.00000 0.00000 -0.00096 -0.00001 0.00000 52 5D-1 0.00000 0.00000 -0.00761 0.00001 0.00000 53 5D+2 -0.00330 -0.00671 0.00000 -0.01423 -0.00448 54 5D-2 -0.00939 0.00331 0.00000 0.00424 -0.01321 55 4 C 1S -0.00090 0.00424 0.00000 0.00480 -0.00140 56 2S -0.00140 0.00665 0.00000 0.00778 -0.00220 57 2PX 0.00235 -0.00702 0.00000 -0.01069 0.00294 58 2PY -0.00050 0.00976 0.00000 0.01662 -0.00178 59 2PZ 0.00001 -0.00001 -0.00361 -0.00001 0.00001 60 3S 0.00433 -0.01927 0.00001 -0.02299 0.00682 61 3PX 0.00154 -0.00867 0.00000 -0.01205 0.00174 62 3PY -0.00040 0.01324 0.00000 0.02145 -0.00207 63 3PZ 0.00001 -0.00001 -0.00501 -0.00001 0.00001 64 4S 0.01616 -0.02186 0.00011 -0.00004 0.02321 65 4PX 0.01064 -0.01178 0.00001 -0.00922 0.01446 66 4PY -0.00253 0.01808 -0.00005 0.01652 -0.00453 67 4PZ 0.00002 -0.00002 -0.01261 0.00001 0.00003 68 5D 0 0.00066 -0.00036 0.00001 -0.00032 0.00093 69 5D+1 -0.00001 0.00000 0.00642 -0.00001 -0.00001 70 5D-1 0.00000 0.00000 -0.00228 0.00000 0.00000 71 5D+2 -0.00130 -0.00688 -0.00001 -0.00815 -0.00170 72 5D-2 0.00108 -0.00222 0.00001 -0.00245 0.00141 73 5 C 1S -0.00171 0.00130 0.00000 0.00348 -0.00193 74 2S -0.00264 0.00200 0.00000 0.00588 -0.00322 75 2PX 0.00060 -0.00563 0.00002 -0.00761 0.00131 76 2PY -0.00564 -0.00251 -0.00002 0.00582 -0.00679 77 2PZ 0.00002 -0.00001 -0.02767 0.00002 0.00003 78 3S 0.00763 -0.00579 0.00001 -0.01778 0.01023 79 3PX 0.00131 -0.00677 0.00002 -0.01021 0.00252 80 3PY -0.00679 -0.00243 -0.00003 0.00780 -0.00787 81 3PZ 0.00003 -0.00002 -0.04139 0.00004 0.00004 82 4S 0.01011 -0.00768 -0.00008 -0.02438 0.01404 83 4PX -0.00320 -0.00515 -0.00002 -0.00752 -0.00423 84 4PY -0.00517 -0.00604 -0.00001 0.00574 -0.00667 85 4PZ 0.00003 -0.00002 -0.04833 0.00004 0.00005 86 5D 0 0.00050 -0.00038 0.00000 -0.00067 0.00073 87 5D+1 0.00000 0.00000 0.00021 0.00000 0.00000 88 5D-1 0.00000 0.00000 -0.00016 0.00000 0.00000 89 5D+2 -0.00038 -0.00104 0.00000 -0.00109 -0.00024 90 5D-2 -0.00112 0.00049 0.00000 0.00396 -0.00150 91 6 C 1S -0.00433 -0.00026 0.00000 0.00480 -0.00375 92 2S -0.00679 -0.00042 0.00000 0.00778 -0.00707 93 2PX 0.01116 0.00193 0.00000 -0.01885 0.01424 94 2PY -0.00459 0.00095 0.00000 0.00589 -0.00693 95 2PZ 0.00000 0.00000 -0.00361 0.00000 0.00001 96 3S 0.01973 0.00094 0.00000 -0.02299 0.02460 97 3PX 0.01473 0.00323 0.00000 -0.02387 0.01864 98 3PY -0.00503 0.00005 0.00000 0.00590 -0.00769 99 3PZ 0.00001 0.00000 -0.00501 0.00000 0.00001 100 4S 0.02537 -0.00979 0.00011 -0.00004 0.03393 101 4PX 0.02122 0.00038 0.00007 -0.01838 0.02872 102 4PY -0.00885 0.00751 0.00002 0.00447 -0.01297 103 4PZ 0.00001 -0.00001 -0.01262 0.00001 0.00002 104 5D 0 0.00052 -0.00054 0.00001 -0.00032 0.00081 105 5D+1 0.00000 0.00000 0.00390 0.00000 -0.00001 106 5D-1 0.00000 0.00000 -0.00558 0.00001 0.00000 107 5D+2 -0.00665 -0.00242 0.00000 0.00826 -0.00927 108 5D-2 -0.00113 -0.00197 0.00000 0.00207 -0.00140 109 7 H 1S 0.00927 0.00870 0.00000 -0.01917 0.01294 110 2S 0.01454 0.01621 -0.00001 -0.02958 0.02031 111 3S 0.01096 0.01866 -0.00002 -0.01944 0.01547 112 4PX -0.00317 -0.00147 0.00000 0.00392 -0.00441 113 4PY 0.00058 -0.00124 0.00000 -0.00058 0.00076 114 4PZ 0.00000 0.00000 0.00350 0.00000 0.00000 115 8 H 1S 0.05885 -0.04487 0.00007 0.08217 0.08230 116 2S 0.08430 -0.06427 0.00011 0.10503 0.11792 117 3S 0.03940 -0.03002 0.00006 0.01307 0.05518 118 4PX -0.00276 0.00600 -0.00001 -0.01242 -0.00384 119 4PY 0.00599 0.00053 0.00001 0.00947 0.00839 120 4PZ -0.00001 0.00001 0.00552 -0.00002 -0.00002 121 9 H 1S -0.00593 -0.01125 0.00000 -0.01918 -0.00860 122 2S -0.01176 -0.01832 -0.00001 -0.02960 -0.01690 123 3S -0.01508 -0.01552 -0.00002 -0.01943 -0.02124 124 4PX -0.00115 0.00114 0.00000 0.00160 -0.00157 125 4PY -0.00092 -0.00326 0.00000 -0.00362 -0.00125 126 4PZ 0.00000 0.00000 0.00350 0.00000 0.00000 127 10 H 1S 0.00099 0.00880 0.00000 0.01184 0.00054 128 2S 0.00005 0.01587 0.00001 0.01856 -0.00122 129 3S 0.00074 0.01600 0.00001 0.01394 0.00033 130 4PX 0.00018 -0.00031 0.00000 -0.00056 0.00025 131 4PY 0.00023 0.00062 0.00000 0.00045 0.00039 132 4PZ 0.00000 0.00000 -0.00053 0.00000 0.00000 133 11 H 1S -0.00069 0.00052 0.00000 0.00217 -0.00083 134 2S -0.00198 0.00151 -0.00001 0.00361 -0.00260 135 3S 0.00084 -0.00065 -0.00001 -0.00168 0.00128 136 4PX -0.00042 0.00000 0.00000 0.00091 -0.00054 137 4PY -0.00001 -0.00042 0.00000 -0.00069 0.00004 138 4PZ 0.00000 0.00000 -0.00255 0.00000 0.00000 139 12 H 1S -0.00823 -0.00329 0.00000 0.01185 -0.01088 140 2S -0.01530 -0.00426 0.00001 0.01857 -0.02041 141 3S -0.01525 -0.00496 0.00001 0.01395 -0.02060 142 4PX 0.00061 0.00035 0.00000 -0.00058 0.00085 143 4PY -0.00020 0.00019 0.00000 0.00042 -0.00027 144 4PZ 0.00000 0.00000 -0.00053 0.00000 0.00000 26 27 28 29 30 26 3PY 0.17697 27 3PZ 0.00000 0.15816 28 4S -0.01050 0.00010 0.17464 29 4PX -0.00431 -0.00014 0.00044 0.05277 30 4PY 0.09031 0.00010 -0.00037 -0.00484 0.05007 31 4PZ 0.00003 0.14349 0.00008 -0.00016 0.00011 32 5D 0 -0.00033 0.00000 -0.00601 0.00008 -0.00006 33 5D+1 -0.00001 -0.00606 0.00001 0.00001 -0.00001 34 5D-1 0.00001 0.00463 0.00000 -0.00001 0.00001 35 5D+2 -0.01324 0.00000 0.00092 -0.00203 -0.00577 36 5D-2 0.00374 -0.00001 -0.00335 -0.00642 0.00288 37 3 C 1S -0.03230 0.00000 0.00956 -0.00713 -0.00510 38 2S -0.04774 0.00000 0.00781 -0.00745 -0.01122 39 2PX -0.01227 -0.00005 -0.01581 0.00216 -0.00026 40 2PY -0.09497 0.00002 -0.05160 -0.00128 -0.05395 41 2PZ 0.00003 0.06781 0.00006 -0.00009 0.00008 42 3S 0.12150 0.00000 0.00000 0.00901 0.04068 43 3PX -0.01719 -0.00007 -0.02218 0.00281 -0.00029 44 3PY -0.13301 0.00003 -0.07422 -0.00102 -0.07573 45 3PZ 0.00005 0.10323 0.00009 -0.00013 0.00011 46 4S 0.07741 -0.00016 -0.04030 -0.00078 0.02416 47 4PX -0.01826 0.00002 -0.00685 -0.00156 -0.00441 48 4PY -0.07105 0.00006 -0.02320 -0.00542 -0.03927 49 4PZ 0.00004 0.08955 0.00009 -0.00012 0.00011 50 5D 0 -0.00284 0.00000 -0.00145 -0.00015 -0.00099 51 5D+1 0.00000 -0.00150 -0.00001 0.00000 0.00000 52 5D-1 0.00000 -0.01154 -0.00001 0.00001 -0.00001 53 5D+2 -0.00922 0.00000 -0.01116 -0.00231 -0.00614 54 5D-2 0.00452 0.00000 -0.00026 -0.00745 0.00326 55 4 C 1S 0.00350 0.00000 -0.00782 0.00151 0.00158 56 2S 0.00672 0.00000 -0.00658 0.00037 0.00426 57 2PX -0.01004 0.00001 -0.00421 0.00727 -0.00844 58 2PY 0.01185 0.00000 0.02688 0.00079 0.02146 59 2PZ -0.00001 -0.00501 -0.00002 0.00004 -0.00003 60 3S -0.02363 0.00001 -0.00005 0.00532 -0.01815 61 3PX -0.01235 0.00001 -0.00420 0.00853 -0.01105 62 3PY 0.01596 0.00000 0.03677 0.00131 0.02983 63 3PZ -0.00002 -0.00688 -0.00002 0.00006 -0.00005 64 4S -0.02879 0.00017 0.02501 0.00974 -0.01549 65 4PX -0.01691 0.00002 -0.00421 0.01369 -0.01005 66 4PY 0.02388 -0.00008 0.01781 -0.00055 0.02412 67 4PZ -0.00002 -0.01856 0.00000 0.00007 -0.00004 68 5D 0 -0.00059 0.00001 0.00011 0.00026 -0.00013 69 5D+1 0.00000 0.00969 0.00001 -0.00002 0.00001 70 5D-1 -0.00001 -0.00350 0.00000 0.00000 0.00000 71 5D+2 -0.00946 -0.00001 -0.00727 -0.00048 -0.00651 72 5D-2 -0.00328 0.00001 -0.00125 0.00060 -0.00026 73 5 C 1S 0.00146 0.00000 0.01209 -0.00511 0.00389 74 2S 0.00245 0.00000 0.01416 -0.00549 0.00418 75 2PX -0.00677 0.00002 -0.01009 -0.00320 -0.00515 76 2PY -0.00243 -0.00004 0.00770 -0.00517 -0.00604 77 2PZ -0.00002 -0.04139 -0.00010 0.00011 -0.00008 78 3S -0.00777 0.00002 -0.02438 0.00754 -0.00573 79 3PX -0.00785 0.00004 -0.01401 -0.00423 -0.00664 80 3PY -0.00181 -0.00005 0.01069 -0.00667 -0.00791 81 3PZ -0.00003 -0.06189 -0.00014 0.00017 -0.00012 82 4S -0.01067 -0.00013 -0.03661 0.01144 -0.00870 83 4PX -0.00665 -0.00002 -0.01142 -0.00517 -0.00344 84 4PY -0.00790 -0.00001 0.00871 -0.00346 -0.00707 85 4PZ -0.00003 -0.07258 -0.00013 0.00017 -0.00012 86 5D 0 -0.00055 0.00000 -0.00023 0.00030 -0.00023 87 5D+1 0.00000 0.00036 0.00000 0.00000 0.00000 88 5D-1 0.00000 -0.00027 0.00001 -0.00001 0.00000 89 5D+2 -0.00108 0.00000 -0.00133 -0.00092 -0.00256 90 5D-2 0.00079 0.00000 0.00481 -0.00279 0.00123 91 6 C 1S 0.00042 0.00000 -0.00781 -0.00114 -0.00188 92 2S 0.00034 0.00000 -0.00657 -0.00402 -0.00150 93 2PX 0.00133 0.00000 -0.02702 0.02242 0.00497 94 2PY 0.00054 0.00000 -0.00308 -0.00427 0.00631 95 2PZ -0.00001 -0.00501 -0.00011 0.00007 -0.00006 96 3S -0.00030 0.00000 -0.00004 0.01892 -0.00029 97 3PX 0.00258 0.00001 -0.03654 0.03081 0.00746 98 3PY -0.00095 0.00000 -0.00572 -0.00491 0.00754 99 3PZ -0.00001 -0.00689 -0.00017 0.00011 -0.00010 100 4S -0.01474 0.00017 0.02501 0.01753 -0.00526 101 4PX -0.00061 0.00010 -0.01829 0.02610 0.00287 102 4PY 0.00965 0.00003 -0.00069 -0.00662 0.01171 103 4PZ -0.00002 -0.01857 -0.00016 0.00011 -0.00010 104 5D 0 -0.00074 0.00001 0.00011 0.00020 -0.00022 105 5D+1 0.00000 0.00595 0.00000 0.00000 0.00000 106 5D-1 -0.00001 -0.00841 0.00000 0.00001 -0.00001 107 5D+2 -0.00332 0.00000 0.00690 -0.00550 -0.00163 108 5D-2 -0.00254 0.00001 0.00265 -0.00279 -0.00156 109 7 H 1S 0.01248 0.00000 -0.03128 0.00891 0.00500 110 2S 0.02312 -0.00001 -0.04566 0.01318 0.00981 111 3S 0.02627 -0.00003 -0.02249 0.00771 0.01328 112 4PX -0.00203 0.00000 0.00191 -0.00270 -0.00090 113 4PY -0.00170 0.00000 -0.00261 0.00098 -0.00116 114 4PZ 0.00000 0.00532 0.00000 0.00000 0.00000 115 8 H 1S -0.06274 0.00010 0.06278 0.04547 -0.03464 116 2S -0.08988 0.00016 0.08247 0.06555 -0.04994 117 3S -0.04204 0.00009 0.01808 0.03198 -0.02436 118 4PX 0.00839 -0.00002 -0.00816 -0.00211 0.00428 119 4PY 0.00077 0.00001 0.00622 0.00428 0.00024 120 4PZ 0.00001 0.00838 -0.00001 -0.00002 0.00001 121 9 H 1S -0.01578 0.00000 -0.03126 -0.00247 -0.00991 122 2S -0.02571 -0.00002 -0.04562 -0.00599 -0.01529 123 3S -0.02187 -0.00003 -0.02246 -0.01078 -0.01094 124 4PX 0.00154 0.00000 0.00302 -0.00129 0.00137 125 4PY -0.00454 0.00000 -0.00115 -0.00051 -0.00256 126 4PZ 0.00000 0.00533 0.00001 -0.00001 0.00001 127 10 H 1S 0.01142 0.00000 0.02407 0.00240 0.01776 128 2S 0.02082 0.00001 0.03462 0.00237 0.02825 129 3S 0.02144 0.00001 0.01756 0.00096 0.02018 130 4PX -0.00044 0.00000 -0.00051 0.00038 -0.00064 131 4PY 0.00088 0.00000 -0.00155 -0.00021 -0.00050 132 4PZ 0.00000 -0.00078 0.00000 0.00000 0.00000 133 11 H 1S 0.00063 0.00000 0.00278 0.00296 -0.00227 134 2S 0.00197 -0.00001 0.00411 0.00387 -0.00296 135 3S -0.00099 -0.00002 -0.00052 0.00438 -0.00335 136 4PX 0.00005 0.00000 0.00094 -0.00037 -0.00021 137 4PY -0.00051 0.00000 -0.00072 -0.00021 -0.00049 138 4PZ 0.00000 -0.00383 -0.00001 0.00001 -0.00001 139 12 H 1S -0.00355 0.00000 0.02407 -0.01649 -0.00703 140 2S -0.00435 0.00001 0.03462 -0.02661 -0.00979 141 3S -0.00601 0.00002 0.01757 -0.01921 -0.00628 142 4PX 0.00056 0.00000 0.00136 -0.00021 -0.00037 143 4PY 0.00028 0.00000 0.00090 -0.00081 0.00010 144 4PZ 0.00000 -0.00078 -0.00001 0.00001 -0.00001 31 32 33 34 35 31 4PZ 0.13219 32 5D 0 0.00000 0.00039 33 5D+1 -0.00516 0.00000 0.00074 34 5D-1 0.00395 0.00000 0.00037 0.00094 35 5D+2 0.00000 0.00002 0.00000 0.00000 0.00202 36 5D-2 -0.00001 -0.00006 0.00000 0.00000 -0.00016 37 3 C 1S -0.00001 0.00183 0.00000 0.00000 0.00530 38 2S -0.00001 0.00233 0.00000 0.00000 0.00689 39 2PX -0.00005 0.00042 0.00000 0.00000 0.00354 40 2PY 0.00001 0.00193 0.00000 0.00000 0.00680 41 2PZ 0.05889 0.00000 0.00100 0.00761 0.00000 42 3S 0.00002 -0.00460 0.00000 0.00001 -0.01449 43 3PX -0.00007 0.00063 0.00000 0.00000 0.00504 44 3PY 0.00003 0.00276 0.00000 0.00000 0.00928 45 3PZ 0.08955 0.00000 0.00146 0.01154 0.00000 46 4S -0.00014 -0.00145 -0.00001 0.00000 -0.00961 47 4PX 0.00002 0.00011 0.00000 0.00000 0.00333 48 4PY 0.00005 0.00100 0.00000 0.00000 0.00631 49 4PZ 0.07923 0.00000 0.00222 0.01073 0.00000 50 5D 0 0.00000 0.00021 0.00000 0.00000 0.00027 51 5D+1 -0.00056 0.00000 -0.00014 -0.00057 0.00000 52 5D-1 -0.01094 0.00000 0.00063 0.00007 0.00000 53 5D+2 0.00000 0.00025 0.00000 0.00000 0.00057 54 5D-2 0.00000 -0.00011 0.00000 0.00000 0.00041 55 4 C 1S 0.00000 0.00014 0.00000 0.00000 0.00119 56 2S -0.00001 0.00018 0.00000 0.00000 0.00139 57 2PX 0.00002 0.00021 0.00000 -0.00001 -0.00075 58 2PY 0.00000 0.00072 0.00000 0.00001 0.00228 59 2PZ -0.01262 0.00000 0.00288 0.00617 0.00000 60 3S 0.00002 -0.00032 0.00000 -0.00001 -0.00234 61 3PX 0.00002 0.00023 0.00000 -0.00001 -0.00125 62 3PY -0.00001 0.00107 0.00000 0.00001 0.00324 63 3PZ -0.01857 0.00000 0.00431 0.00936 -0.00001 64 4S 0.00016 0.00010 0.00001 0.00000 -0.00116 65 4PX 0.00002 0.00009 0.00000 -0.00001 0.00029 66 4PY -0.00008 0.00028 0.00000 0.00000 0.00056 67 4PZ -0.02693 0.00000 0.00502 0.00859 0.00000 68 5D 0 0.00001 0.00007 0.00000 0.00000 0.00006 69 5D+1 0.00965 0.00000 0.00011 0.00063 0.00000 70 5D-1 -0.00246 0.00000 0.00001 -0.00051 0.00000 71 5D+2 -0.00001 0.00013 0.00000 0.00000 0.00072 72 5D-2 0.00001 0.00006 0.00000 0.00000 0.00052 73 5 C 1S 0.00000 0.00010 0.00000 0.00000 0.00026 74 2S 0.00000 0.00020 0.00000 0.00000 0.00040 75 2PX 0.00002 -0.00050 0.00000 0.00000 0.00038 76 2PY -0.00004 0.00038 0.00000 0.00000 0.00104 77 2PZ -0.04833 0.00000 -0.00021 0.00016 0.00000 78 3S 0.00001 -0.00067 0.00000 0.00000 -0.00109 79 3PX 0.00004 -0.00073 0.00000 0.00000 0.00024 80 3PY -0.00006 0.00056 0.00000 0.00000 0.00108 81 3PZ -0.07258 0.00000 -0.00036 0.00027 0.00000 82 4S -0.00013 -0.00023 0.00000 -0.00001 -0.00132 83 4PX -0.00002 -0.00030 0.00000 0.00000 0.00092 84 4PY -0.00002 0.00023 0.00000 0.00000 0.00255 85 4PZ -0.07996 0.00000 0.00044 -0.00033 0.00000 86 5D 0 0.00000 0.00006 0.00000 0.00000 0.00000 87 5D+1 -0.00044 0.00000 0.00031 0.00070 0.00000 88 5D-1 0.00033 0.00000 0.00070 0.00069 0.00000 89 5D+2 0.00000 0.00000 0.00000 0.00000 -0.00050 90 5D-2 0.00000 0.00001 0.00000 0.00000 -0.00041 91 6 C 1S 0.00000 0.00014 0.00000 0.00000 -0.00190 92 2S 0.00000 0.00018 0.00000 0.00000 -0.00264 93 2PX 0.00000 -0.00064 0.00001 0.00000 0.00479 94 2PY -0.00001 -0.00039 -0.00001 0.00000 -0.00244 95 2PZ -0.01262 0.00000 -0.00518 -0.00442 0.00001 96 3S 0.00000 -0.00032 0.00000 0.00000 0.00620 97 3PX 0.00001 -0.00097 0.00001 0.00000 0.00675 98 3PY -0.00001 -0.00051 -0.00001 0.00000 -0.00347 99 3PZ -0.01857 0.00000 -0.00788 -0.00665 0.00001 100 4S 0.00015 0.00011 0.00001 0.00001 0.00472 101 4PX 0.00010 -0.00025 0.00001 0.00001 0.00316 102 4PY 0.00002 -0.00016 -0.00001 0.00000 -0.00150 103 4PZ -0.02693 0.00000 -0.00695 -0.00713 0.00001 104 5D 0 0.00001 0.00007 0.00000 0.00000 -0.00012 105 5D+1 0.00493 0.00000 -0.00063 -0.00020 0.00000 106 5D-1 -0.00864 0.00000 0.00042 0.00023 0.00000 107 5D+2 0.00000 -0.00014 0.00000 0.00000 0.00106 108 5D-2 0.00001 -0.00001 0.00000 0.00000 -0.00033 109 7 H 1S 0.00001 -0.00005 0.00000 0.00000 -0.00592 110 2S -0.00001 -0.00001 -0.00001 0.00000 -0.00903 111 3S -0.00002 0.00028 0.00000 0.00000 -0.00571 112 4PX 0.00000 -0.00009 0.00000 0.00000 0.00001 113 4PY 0.00000 -0.00007 0.00000 0.00000 -0.00028 114 4PZ 0.00467 0.00000 -0.00057 -0.00027 0.00000 115 8 H 1S 0.00005 -0.00213 0.00001 -0.00001 0.00218 116 2S 0.00010 -0.00275 0.00002 -0.00001 0.00328 117 3S 0.00006 -0.00035 0.00001 -0.00001 0.00200 118 4PX -0.00001 0.00033 0.00000 0.00000 -0.00044 119 4PY 0.00001 -0.00025 0.00000 0.00000 -0.00039 120 4PZ 0.00767 0.00000 -0.00031 0.00024 0.00000 121 9 H 1S 0.00000 -0.00005 0.00000 0.00001 0.00229 122 2S -0.00002 0.00000 0.00000 0.00001 0.00389 123 3S -0.00003 0.00028 0.00000 0.00000 0.00326 124 4PX 0.00000 0.00004 0.00000 0.00000 -0.00006 125 4PY 0.00000 0.00011 0.00000 0.00000 0.00027 126 4PZ 0.00468 0.00000 0.00011 0.00062 0.00000 127 10 H 1S 0.00000 0.00041 0.00000 0.00000 0.00070 128 2S 0.00001 0.00054 0.00000 0.00000 0.00092 129 3S 0.00002 0.00013 0.00000 0.00000 -0.00039 130 4PX 0.00000 0.00000 0.00000 0.00000 -0.00009 131 4PY 0.00000 -0.00007 0.00000 0.00000 -0.00020 132 4PZ -0.00132 0.00000 0.00027 0.00050 0.00000 133 11 H 1S 0.00000 0.00031 0.00000 0.00000 0.00032 134 2S -0.00001 0.00041 0.00000 0.00000 0.00061 135 3S -0.00002 0.00020 0.00000 0.00000 0.00075 136 4PX 0.00000 0.00002 0.00000 0.00000 0.00000 137 4PY 0.00000 -0.00002 0.00000 0.00000 0.00006 138 4PZ -0.00431 0.00000 0.00001 0.00000 0.00000 139 12 H 1S 0.00000 0.00041 0.00000 0.00000 -0.00110 140 2S 0.00002 0.00054 0.00000 0.00000 -0.00162 141 3S 0.00002 0.00013 0.00000 0.00000 -0.00038 142 4PX 0.00000 0.00007 0.00000 0.00000 -0.00008 143 4PY 0.00000 0.00002 0.00000 0.00000 -0.00030 144 4PZ -0.00132 0.00000 -0.00041 -0.00039 0.00000 36 37 38 39 40 36 5D-2 0.00257 37 3 C 1S -0.00116 0.65853 38 2S -0.00156 0.56011 0.48917 39 2PX 0.00939 0.00079 0.00105 0.08841 40 2PY -0.00286 0.00034 0.00045 -0.00102 0.09050 41 2PZ 0.00000 0.00000 0.00000 0.00001 -0.00001 42 3S 0.00326 -0.08153 -0.14234 -0.00399 -0.00170 43 3PX 0.01313 0.00055 0.00122 0.12401 -0.00148 44 3PY -0.00400 0.00022 0.00051 -0.00148 0.12697 45 3PZ 0.00000 0.00000 -0.00001 0.00001 -0.00001 46 4S 0.00568 -0.07767 -0.10861 0.01158 0.00490 47 4PX 0.00734 0.01085 0.01025 0.06768 0.00218 48 4PY -0.00208 0.00454 0.00429 0.00218 0.06336 49 4PZ 0.00000 0.00000 0.00000 -0.00003 0.00000 50 5D 0 -0.00002 0.00070 0.00266 0.00031 0.00013 51 5D+1 0.00000 0.00000 0.00000 0.00000 0.00001 52 5D-1 0.00000 0.00000 0.00000 0.00001 -0.00001 53 5D+2 0.00038 0.00015 0.00024 0.00258 0.00907 54 5D-2 0.00198 0.00016 0.00025 0.00830 -0.00441 55 4 C 1S 0.00172 0.00535 0.00848 0.01522 -0.01160 56 2S 0.00283 0.00848 0.01302 0.02430 -0.01855 57 2PX -0.00583 -0.01522 -0.02433 -0.04233 0.03646 58 2PY 0.00394 0.01160 0.01851 0.03394 -0.02296 59 2PZ -0.00001 -0.00002 -0.00003 -0.00008 0.00004 60 3S -0.00819 -0.02216 -0.03313 -0.06754 0.05207 61 3PX -0.00796 -0.02613 -0.03847 -0.05995 0.05002 62 3PY 0.00549 0.01946 0.02892 0.04775 -0.03185 63 3PZ -0.00001 -0.00003 -0.00005 -0.00012 0.00006 64 4S -0.00730 0.00957 0.00780 -0.04787 0.02498 65 4PX -0.00498 -0.00865 -0.01323 -0.02705 0.02856 66 4PY 0.00424 -0.00149 0.00259 0.02757 -0.02476 67 4PZ -0.00001 -0.00001 -0.00002 -0.00009 0.00004 68 5D 0 0.00013 0.00182 0.00233 0.00167 -0.00105 69 5D+1 0.00000 -0.00001 -0.00001 -0.00001 0.00001 70 5D-1 0.00000 0.00001 0.00001 0.00001 0.00000 71 5D+2 0.00024 -0.00123 -0.00165 0.00446 0.00871 72 5D-2 0.00073 0.00528 0.00686 0.00738 -0.00214 73 5 C 1S -0.00096 -0.00111 -0.00167 -0.00412 0.00135 74 2S -0.00146 -0.00167 -0.00264 -0.00646 0.00212 75 2PX 0.00112 0.00433 0.00678 0.01115 -0.00459 76 2PY -0.00049 0.00026 0.00042 0.00193 0.00094 77 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 78 3S 0.00396 0.00480 0.00778 0.01886 -0.00590 79 3PX 0.00150 0.00375 0.00706 0.01424 -0.00692 80 3PY -0.00079 -0.00042 -0.00034 0.00133 0.00054 81 3PZ 0.00000 0.00000 0.00001 0.00001 0.00000 82 4S 0.00481 -0.00782 -0.00658 0.02703 0.00308 83 4PX 0.00279 0.00113 0.00401 0.02242 -0.00427 84 4PY -0.00123 0.00188 0.00149 0.00496 0.00631 85 4PZ 0.00000 0.00000 0.00000 0.00002 0.00000 86 5D 0 0.00001 0.00014 0.00018 0.00064 0.00039 87 5D+1 0.00000 0.00000 0.00000 -0.00001 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 5D+2 -0.00041 -0.00190 -0.00264 -0.00479 0.00244 90 5D-2 0.00088 0.00087 0.00172 0.00336 -0.00387 91 6 C 1S 0.00087 -0.00103 -0.00148 -0.00199 -0.00083 92 2S 0.00172 -0.00148 -0.00224 -0.00306 -0.00128 93 2PX -0.00336 0.00199 0.00306 0.00315 0.00416 94 2PY 0.00387 0.00083 0.00128 0.00417 -0.00506 95 2PZ 0.00000 0.00000 0.00000 0.00002 0.00000 96 3S -0.00584 0.00348 0.00588 0.00884 0.00368 97 3PX -0.00459 0.00223 0.00373 0.00438 0.00500 98 3PY 0.00516 0.00094 0.00157 0.00502 -0.00550 99 3PZ 0.00000 0.00000 0.00001 0.00003 0.00000 100 4S -0.00567 0.01210 0.01417 0.01171 0.00488 101 4PX -0.00441 0.00593 0.00637 -0.00086 0.00380 102 4PY 0.00338 0.00247 0.00266 0.00381 -0.00839 103 4PZ 0.00000 0.00000 0.00001 0.00004 0.00000 104 5D 0 0.00008 0.00010 0.00020 0.00058 0.00024 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 -0.00005 0.00070 0.00106 0.00049 0.00106 108 5D-2 0.00039 0.00071 0.00108 0.00111 -0.00037 109 7 H 1S 0.00546 -0.00260 -0.00408 -0.00126 -0.00877 110 2S 0.00757 -0.00457 -0.00681 -0.00396 -0.01537 111 3S 0.00324 -0.00340 -0.00513 -0.00332 -0.01567 112 4PX 0.00053 0.00011 0.00020 0.00023 0.00042 113 4PY 0.00051 -0.00011 -0.00003 -0.00013 0.00057 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S -0.00795 0.00394 0.00653 -0.00290 0.01238 116 2S -0.01195 0.00678 0.01067 -0.00676 0.02070 117 3S -0.00728 0.00613 0.00847 -0.01068 0.01883 118 4PX 0.00024 -0.00020 -0.00057 -0.00133 -0.00164 119 4PY -0.00038 -0.00110 -0.00145 0.00042 -0.00307 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00773 -0.01965 -0.03097 0.06826 0.02856 122 2S 0.01113 -0.03153 -0.04496 0.09778 0.04091 123 3S 0.00571 -0.00341 -0.00534 0.04569 0.01911 124 4PX -0.00044 0.00586 0.00741 -0.00548 -0.00443 125 4PY -0.00059 0.00245 0.00310 -0.00443 0.00325 126 4PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 127 10 H 1S 0.00097 0.00394 0.00652 0.00677 -0.01076 128 2S 0.00163 0.00678 0.01066 0.00998 -0.01936 129 3S 0.00142 0.00613 0.00846 0.00591 -0.02083 130 4PX -0.00037 -0.00092 -0.00144 -0.00282 0.00189 131 4PY 0.00003 0.00063 0.00061 -0.00016 -0.00158 132 4PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 133 11 H 1S -0.00116 -0.00260 -0.00408 -0.00713 0.00526 134 2S -0.00222 -0.00457 -0.00681 -0.01373 0.00798 135 3S -0.00272 -0.00340 -0.00513 -0.01350 0.00866 136 4PX 0.00012 0.00000 0.00012 0.00054 -0.00044 137 4PY -0.00007 0.00015 0.00016 0.00010 0.00025 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00047 -0.00059 -0.00080 -0.00079 -0.00033 140 2S 0.00093 -0.00022 -0.00072 -0.00230 -0.00096 141 3S 0.00142 0.00120 0.00129 0.00098 0.00042 142 4PX -0.00019 -0.00030 -0.00042 -0.00042 0.00000 143 4PY 0.00023 -0.00013 -0.00018 0.00000 -0.00042 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 2PZ 0.06857 42 3S 0.00002 0.42720 43 3PX 0.00001 -0.00683 0.17399 44 3PY -0.00001 -0.00287 -0.00219 0.17834 45 3PZ 0.10414 0.00003 0.00001 -0.00001 0.15816 46 4S -0.00007 0.25324 0.01586 0.00673 -0.00011 47 4PX 0.00003 -0.00891 0.09469 0.00317 0.00004 48 4PY 0.00003 -0.00369 0.00318 0.08837 0.00005 49 4PZ 0.09456 0.00004 -0.00004 0.00000 0.14350 50 5D 0 -0.00001 -0.01184 0.00050 0.00021 -0.00001 51 5D+1 -0.00461 0.00002 0.00000 0.00001 -0.00703 52 5D-1 -0.00194 0.00000 0.00001 -0.00001 -0.00296 53 5D+2 0.00000 -0.00084 0.00353 0.01291 0.00001 54 5D-2 0.00001 -0.00083 0.01171 -0.00637 0.00001 55 4 C 1S 0.00002 -0.02216 0.02569 -0.02003 0.00003 56 2S 0.00003 -0.03313 0.03809 -0.02942 0.00004 57 2PX -0.00008 0.06812 -0.05883 0.05033 -0.00011 58 2PY 0.00005 -0.05131 0.04805 -0.03297 0.00007 59 2PZ 0.04447 0.00008 -0.00012 0.00006 0.06769 60 3S -0.00008 0.08276 -0.09710 0.07470 -0.00012 61 3PX -0.00011 0.09779 -0.08330 0.06898 -0.00017 62 3PY 0.00006 -0.07381 0.06760 -0.04572 0.00009 63 3PZ 0.06769 0.00012 -0.00017 0.00009 0.10305 64 4S 0.00004 0.00002 -0.06848 0.03634 0.00007 65 4PX -0.00008 0.03527 -0.03767 0.03964 -0.00012 66 4PY -0.00002 -0.02220 0.03896 -0.03529 -0.00003 67 4PZ 0.05879 0.00006 -0.00012 0.00005 0.08941 68 5D 0 0.00001 -0.00460 0.00241 -0.00149 0.00002 69 5D+1 0.00611 0.00002 -0.00001 0.00002 0.00923 70 5D-1 -0.00463 -0.00002 0.00002 0.00000 -0.00706 71 5D+2 0.00000 0.00345 0.00622 0.01218 0.00000 72 5D-2 0.00001 -0.01444 0.01023 -0.00277 0.00002 73 5 C 1S 0.00000 0.00480 -0.00374 0.00054 0.00000 74 2S -0.00001 0.00778 -0.00692 0.00146 -0.00001 75 2PX 0.00002 -0.01973 0.01473 -0.00503 0.00002 76 2PY 0.00000 -0.00094 0.00323 0.00005 0.00000 77 2PZ -0.00362 -0.00002 0.00001 0.00000 -0.00501 78 3S 0.00002 -0.02299 0.02388 -0.00593 0.00003 79 3PX 0.00002 -0.02459 0.01865 -0.00769 0.00003 80 3PY 0.00000 0.00031 0.00258 -0.00095 0.00001 81 3PZ -0.00502 -0.00003 0.00001 0.00000 -0.00689 82 4S -0.00009 -0.00005 0.03656 0.00571 -0.00014 83 4PX -0.00003 -0.01891 0.03082 -0.00492 -0.00004 84 4PY 0.00003 0.00031 0.00744 0.00754 0.00005 85 4PZ -0.01262 -0.00002 0.00002 -0.00001 -0.01857 86 5D 0 0.00000 -0.00032 0.00097 0.00051 0.00000 87 5D+1 0.00518 0.00001 -0.00001 0.00001 0.00788 88 5D-1 0.00442 0.00000 -0.00001 0.00000 0.00664 89 5D+2 -0.00001 0.00620 -0.00675 0.00348 -0.00001 90 5D-2 0.00000 -0.00584 0.00459 -0.00516 0.00001 91 6 C 1S 0.00000 0.00348 -0.00224 -0.00093 0.00000 92 2S 0.00000 0.00588 -0.00374 -0.00155 0.00001 93 2PX 0.00001 -0.00884 0.00438 0.00500 0.00001 94 2PY -0.00002 -0.00371 0.00501 -0.00550 -0.00003 95 2PZ -0.02768 -0.00002 0.00003 0.00000 -0.04140 96 3S -0.00002 -0.01778 0.01186 0.00494 -0.00003 97 3PX 0.00001 -0.01184 0.00608 0.00579 0.00002 98 3PY -0.00002 -0.00497 0.00582 -0.00537 -0.00004 99 3PZ -0.04140 -0.00003 0.00005 0.00000 -0.06190 100 4S 0.00009 -0.02438 0.01626 0.00678 0.00013 101 4PX 0.00007 -0.00874 -0.00122 0.00491 0.00011 102 4PY 0.00000 -0.00365 0.00492 -0.01093 -0.00001 103 4PZ -0.04835 -0.00003 0.00006 0.00000 -0.07260 104 5D 0 0.00000 -0.00067 0.00085 0.00035 0.00000 105 5D+1 0.00024 0.00000 0.00000 0.00000 0.00041 106 5D-1 0.00010 0.00000 0.00000 0.00000 0.00017 107 5D+2 0.00000 -0.00288 0.00084 0.00115 0.00000 108 5D-2 0.00000 -0.00292 0.00142 -0.00020 0.00000 109 7 H 1S 0.00000 0.01184 -0.00237 -0.01119 0.00000 110 2S -0.00001 0.01856 -0.00643 -0.01984 -0.00002 111 3S -0.00001 0.01394 -0.00509 -0.02083 -0.00002 112 4PX 0.00000 -0.00065 0.00030 0.00059 0.00000 113 4PY 0.00000 -0.00030 -0.00024 0.00083 0.00000 114 4PZ -0.00053 0.00000 0.00000 0.00000 -0.00078 115 8 H 1S 0.00000 -0.01918 -0.00433 0.01744 0.00000 116 2S 0.00001 -0.02960 -0.00986 0.02915 0.00002 117 3S 0.00001 -0.01944 -0.01503 0.02653 0.00001 118 4PX -0.00001 0.00246 -0.00183 -0.00225 -0.00001 119 4PY 0.00000 0.00310 0.00055 -0.00428 0.00001 120 4PZ 0.00350 0.00000 -0.00001 0.00000 0.00533 121 9 H 1S 0.00004 0.08218 0.09546 0.03993 0.00006 122 2S 0.00005 0.10506 0.13677 0.05721 0.00007 123 3S 0.00001 0.01309 0.06399 0.02675 0.00001 124 4PX -0.00001 -0.01441 -0.00764 -0.00619 -0.00001 125 4PY 0.00000 -0.00603 -0.00619 0.00457 0.00000 126 4PZ 0.00552 -0.00001 -0.00001 0.00000 0.00838 127 10 H 1S 0.00001 -0.01917 0.00937 -0.01534 0.00001 128 2S 0.00002 -0.02957 0.01382 -0.02750 0.00004 129 3S 0.00002 -0.01944 0.00835 -0.02934 0.00004 130 4PX -0.00001 0.00393 -0.00392 0.00261 -0.00001 131 4PY 0.00000 -0.00043 -0.00018 -0.00218 0.00000 132 4PZ 0.00350 0.00000 -0.00001 0.00000 0.00532 133 11 H 1S -0.00001 0.01185 -0.00964 0.00618 -0.00001 134 2S -0.00002 0.01857 -0.01865 0.00937 -0.00003 135 3S -0.00003 0.01395 -0.01842 0.01103 -0.00004 136 4PX 0.00000 -0.00067 0.00074 -0.00068 0.00000 137 4PY 0.00000 -0.00025 0.00015 0.00039 0.00000 138 4PZ -0.00053 0.00000 0.00000 0.00000 -0.00078 139 12 H 1S 0.00000 0.00218 -0.00096 -0.00040 0.00001 140 2S 0.00002 0.00361 -0.00301 -0.00125 0.00003 141 3S 0.00003 -0.00168 0.00148 0.00063 0.00004 142 4PX 0.00000 0.00105 -0.00056 -0.00003 0.00000 143 4PY 0.00000 0.00044 -0.00003 -0.00049 0.00000 144 4PZ -0.00255 0.00000 0.00000 0.00000 -0.00383 46 47 48 49 50 46 4S 0.17471 47 4PX 0.00047 0.05498 48 4PY 0.00027 0.00357 0.04788 49 4PZ -0.00012 0.00002 0.00005 0.13222 50 5D 0 -0.00602 0.00010 0.00004 -0.00001 0.00039 51 5D+1 0.00001 0.00000 0.00000 -0.00599 0.00000 52 5D-1 0.00001 0.00000 -0.00001 -0.00252 0.00000 53 5D+2 0.00244 0.00294 0.00589 0.00001 0.00004 54 5D-2 0.00248 0.00630 -0.00196 0.00000 0.00004 55 4 C 1S 0.00956 0.00085 -0.00874 0.00001 0.00182 56 2S 0.00780 0.00601 -0.01207 0.00001 0.00233 57 2PX 0.03680 -0.03928 0.02519 -0.00008 -0.00146 58 2PY -0.03954 0.02420 -0.01253 0.00004 0.00133 59 2PZ 0.00007 -0.00009 0.00003 0.05879 -0.00001 60 3S 0.00004 -0.03076 0.02812 -0.00005 -0.00460 61 3PX 0.05322 -0.05556 0.03471 -0.00012 -0.00208 62 3PY -0.05640 0.03404 -0.01740 0.00006 0.00193 63 3PZ 0.00010 -0.00014 0.00005 0.08941 -0.00002 64 4S -0.04025 -0.02140 0.01142 0.00012 -0.00145 65 4PX 0.01670 -0.02560 0.01931 -0.00010 -0.00081 66 4PY -0.01761 0.01836 -0.01524 -0.00005 0.00059 67 4PZ 0.00005 -0.00010 0.00003 0.07912 -0.00002 68 5D 0 -0.00145 0.00079 -0.00063 0.00002 0.00021 69 5D+1 -0.00001 0.00000 0.00001 0.00919 0.00000 70 5D-1 -0.00001 0.00001 0.00000 -0.00595 0.00000 71 5D+2 0.00582 0.00358 0.00670 -0.00001 -0.00003 72 5D-2 -0.00955 0.00688 -0.00199 0.00001 0.00027 73 5 C 1S -0.00780 -0.00062 0.00212 0.00000 0.00014 74 2S -0.00656 -0.00351 0.00247 0.00000 0.00018 75 2PX -0.02537 0.02121 -0.00886 0.00003 -0.00052 76 2PY 0.00979 0.00038 0.00750 -0.00001 0.00054 77 2PZ 0.00010 -0.00005 -0.00004 -0.01261 -0.00001 78 3S -0.00005 0.01837 -0.00451 0.00002 -0.00032 79 3PX -0.03392 0.02870 -0.01299 0.00004 -0.00081 80 3PY 0.01475 -0.00062 0.00964 -0.00001 0.00074 81 3PZ 0.00015 -0.00008 -0.00006 -0.01856 -0.00001 82 4S 0.02502 0.01828 0.00066 -0.00015 0.00011 83 4PX -0.01753 0.02609 -0.00663 -0.00004 -0.00020 84 4PY 0.00528 0.00286 0.01171 0.00004 0.00022 85 4PZ 0.00016 -0.00007 -0.00006 -0.02692 -0.00001 86 5D 0 0.00010 0.00025 0.00016 0.00000 0.00007 87 5D+1 0.00001 -0.00001 0.00000 0.00695 0.00000 88 5D-1 -0.00001 0.00000 0.00000 0.00712 0.00000 89 5D+2 0.00473 -0.00316 0.00151 -0.00001 -0.00012 90 5D-2 -0.00568 0.00441 -0.00338 0.00001 0.00008 91 6 C 1S 0.01209 -0.00592 -0.00248 0.00000 0.00010 92 2S 0.01416 -0.00637 -0.00266 0.00001 0.00020 93 2PX -0.01170 -0.00086 0.00381 0.00001 -0.00058 94 2PY -0.00491 0.00382 -0.00838 -0.00003 -0.00024 95 2PZ 0.00011 -0.00003 -0.00003 -0.04835 0.00000 96 3S -0.02438 0.00874 0.00365 -0.00003 -0.00067 97 3PX -0.01625 -0.00122 0.00491 0.00001 -0.00084 98 3PY -0.00682 0.00493 -0.01092 -0.00005 -0.00035 99 3PZ 0.00017 -0.00005 -0.00005 -0.07260 0.00000 100 4S -0.03663 0.01327 0.00553 0.00012 -0.00023 101 4PX -0.01326 -0.00361 0.00254 0.00011 -0.00035 102 4PY -0.00555 0.00256 -0.00863 -0.00001 -0.00015 103 4PZ 0.00016 -0.00004 -0.00005 -0.07999 0.00000 104 5D 0 -0.00023 0.00035 0.00015 0.00000 0.00006 105 5D+1 0.00000 0.00000 0.00000 -0.00051 0.00000 106 5D-1 0.00001 0.00000 0.00000 -0.00021 0.00000 107 5D+2 -0.00350 0.00125 0.00260 0.00000 -0.00001 108 5D-2 -0.00355 0.00274 -0.00090 0.00000 -0.00001 109 7 H 1S 0.02407 -0.00216 -0.01779 0.00000 0.00041 110 2S 0.03461 -0.00483 -0.02793 -0.00001 0.00054 111 3S 0.01756 -0.00416 -0.01977 -0.00002 0.00013 112 4PX -0.00010 0.00053 0.00037 0.00000 0.00002 113 4PY 0.00162 -0.00006 -0.00065 0.00000 0.00007 114 4PZ 0.00000 0.00000 0.00000 -0.00132 0.00000 115 8 H 1S -0.03126 0.00011 0.01022 0.00001 -0.00005 116 2S -0.04563 -0.00194 0.01633 0.00002 0.00000 117 3S -0.02246 -0.00768 0.01332 0.00002 0.00028 118 4PX 0.00321 -0.00159 -0.00163 -0.00001 0.00001 119 4PY 0.00034 0.00026 -0.00227 0.00001 -0.00012 120 4PZ 0.00000 0.00000 0.00000 0.00468 0.00000 121 9 H 1S 0.06279 0.05273 0.02206 0.00003 -0.00213 122 2S 0.08248 0.07602 0.03179 0.00003 -0.00275 123 3S 0.01809 0.03709 0.01550 -0.00001 -0.00035 124 4PX -0.00946 -0.00406 -0.00316 -0.00001 0.00038 125 4PY -0.00395 -0.00316 0.00218 0.00000 0.00016 126 4PZ -0.00001 0.00000 0.00000 0.00767 0.00000 127 10 H 1S -0.03130 0.00738 -0.00709 0.00001 -0.00005 128 2S -0.04568 0.01030 -0.01282 0.00003 -0.00001 129 3S -0.02250 0.00413 -0.01480 0.00003 0.00028 130 4PX 0.00251 -0.00262 0.00128 -0.00001 -0.00007 131 4PY 0.00204 -0.00060 -0.00124 0.00000 0.00009 132 4PZ 0.00000 -0.00001 0.00000 0.00467 0.00000 133 11 H 1S 0.02407 -0.01418 0.01096 -0.00001 0.00041 134 2S 0.03463 -0.02329 0.01619 -0.00003 0.00054 135 3S 0.01758 -0.01701 0.01093 -0.00004 0.00013 136 4PX 0.00108 0.00009 0.00038 0.00000 0.00006 137 4PY -0.00121 0.00081 -0.00021 0.00000 -0.00004 138 4PZ 0.00001 -0.00001 0.00000 -0.00132 0.00000 139 12 H 1S 0.00278 0.00344 0.00144 0.00001 0.00031 140 2S 0.00411 0.00448 0.00188 0.00003 0.00041 141 3S -0.00052 0.00508 0.00213 0.00004 0.00020 142 4PX 0.00109 -0.00027 0.00016 0.00000 0.00003 143 4PY 0.00046 0.00016 -0.00058 0.00000 0.00001 144 4PZ 0.00001 0.00000 0.00000 -0.00432 0.00000 51 52 53 54 55 51 5D+1 0.00057 52 5D-1 -0.00027 0.00111 53 5D+2 0.00000 0.00000 0.00229 54 5D-2 0.00000 0.00000 0.00031 0.00230 55 4 C 1S -0.00001 0.00001 -0.00164 0.00517 0.65853 56 2S -0.00001 0.00001 -0.00209 0.00674 0.56010 57 2PX 0.00001 -0.00001 -0.00414 -0.00715 0.00012 58 2PY -0.00001 0.00000 -0.00903 0.00224 0.00086 59 2PZ -0.00609 0.00466 0.00000 -0.00001 0.00000 60 3S 0.00002 -0.00001 0.00443 -0.01417 -0.08153 61 3PX 0.00001 -0.00002 -0.00592 -0.00979 0.00007 62 3PY -0.00002 0.00000 -0.01261 0.00312 0.00059 63 3PZ -0.00926 0.00703 0.00000 -0.00002 0.00000 64 4S 0.00001 -0.00002 -0.00011 -0.01117 -0.07768 65 4PX 0.00001 -0.00001 -0.00282 -0.00603 0.00150 66 4PY -0.00001 0.00001 -0.00762 0.00257 0.01166 67 4PZ -0.00818 0.00728 0.00000 -0.00001 0.00000 68 5D 0 0.00000 0.00000 -0.00011 0.00024 0.00070 69 5D+1 0.00000 -0.00071 0.00000 0.00000 0.00000 70 5D-1 0.00050 -0.00006 0.00000 0.00000 0.00000 71 5D+2 0.00000 0.00000 0.00196 0.00040 -0.00021 72 5D-2 0.00000 0.00000 0.00042 0.00058 0.00006 73 5 C 1S 0.00000 0.00000 -0.00208 0.00017 0.00536 74 2S 0.00000 0.00000 -0.00314 -0.00021 0.00850 75 2PX 0.00001 0.00000 0.00664 0.00112 -0.01767 76 2PY 0.00000 0.00001 0.00242 0.00197 -0.00739 77 2PZ -0.00390 0.00558 0.00000 -0.00001 0.00000 78 3S 0.00001 0.00000 0.00826 0.00207 -0.02221 79 3PX 0.00001 0.00000 0.00926 0.00139 -0.02994 80 3PY 0.00000 0.00001 0.00331 0.00254 -0.01291 81 3PZ -0.00595 0.00842 0.00000 -0.00001 0.00000 82 4S 0.00001 0.00001 0.00688 0.00264 0.00957 83 4PX 0.00001 0.00000 0.00549 0.00279 -0.00302 84 4PY 0.00000 0.00001 0.00163 0.00156 -0.00823 85 4PZ -0.00493 0.00865 0.00000 -0.00001 0.00001 86 5D 0 0.00000 0.00000 -0.00014 -0.00001 0.00183 87 5D+1 -0.00063 0.00042 0.00000 0.00000 0.00000 88 5D-1 -0.00020 0.00023 0.00000 0.00000 0.00000 89 5D+2 0.00000 0.00000 0.00106 -0.00033 -0.00396 90 5D-2 0.00000 0.00000 -0.00005 0.00039 -0.00371 91 6 C 1S 0.00000 0.00000 0.00070 0.00071 -0.00111 92 2S 0.00000 0.00000 0.00106 0.00108 -0.00167 93 2PX 0.00000 0.00000 -0.00050 -0.00111 0.00194 94 2PY 0.00000 0.00000 -0.00105 0.00038 0.00388 95 2PZ -0.00024 -0.00010 0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 -0.00288 -0.00292 0.00480 97 3PX 0.00000 0.00000 -0.00084 -0.00142 0.00224 98 3PY 0.00000 0.00000 -0.00115 0.00020 0.00304 99 3PZ -0.00041 -0.00017 0.00000 0.00000 0.00000 100 4S 0.00000 -0.00001 -0.00350 -0.00355 -0.00782 101 4PX 0.00000 -0.00001 -0.00125 -0.00275 -0.00107 102 4PY 0.00000 0.00000 -0.00259 0.00090 0.00193 103 4PZ 0.00051 0.00021 0.00000 0.00000 0.00000 104 5D 0 0.00000 0.00000 -0.00001 -0.00001 0.00014 105 5D+1 -0.00001 -0.00052 0.00000 0.00000 0.00000 106 5D-1 -0.00052 0.00101 0.00000 0.00000 0.00000 107 5D+2 0.00000 0.00000 0.00018 0.00080 0.00020 108 5D-2 0.00000 0.00000 0.00080 0.00020 -0.00208 109 7 H 1S 0.00000 0.00000 0.00014 -0.00119 -0.00059 110 2S 0.00000 0.00000 0.00001 -0.00187 -0.00022 111 3S 0.00000 0.00000 -0.00103 -0.00104 0.00120 112 4PX 0.00000 0.00000 0.00014 0.00034 -0.00004 113 4PY 0.00000 0.00000 0.00015 -0.00017 -0.00033 114 4PZ 0.00013 -0.00055 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 -0.00001 -0.00177 -0.00786 -0.00260 116 2S 0.00000 -0.00001 -0.00204 -0.01162 -0.00457 117 3S 0.00000 -0.00001 0.00005 -0.00657 -0.00340 118 4PX 0.00000 0.00000 0.00003 0.00030 0.00015 119 4PY 0.00000 0.00000 -0.00055 -0.00047 0.00004 120 4PZ -0.00005 -0.00063 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00579 0.00587 0.00394 122 2S 0.00001 0.00001 0.00870 0.00882 0.00678 123 3S 0.00000 0.00001 0.00530 0.00537 0.00613 124 4PX 0.00000 0.00000 -0.00045 -0.00012 0.00085 125 4PY 0.00000 0.00000 0.00028 -0.00051 -0.00072 126 4PZ -0.00036 -0.00015 0.00000 0.00000 0.00000 127 10 H 1S -0.00001 0.00000 -0.00783 -0.00188 -0.01965 128 2S -0.00001 0.00000 -0.01157 -0.00220 -0.03153 129 3S -0.00001 0.00000 -0.00656 -0.00003 -0.00341 130 4PX 0.00000 0.00000 -0.00012 -0.00037 0.00081 131 4PY 0.00000 0.00000 0.00054 0.00041 0.00630 132 4PZ -0.00048 0.00040 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 -0.00119 0.00012 0.00394 134 2S 0.00000 0.00000 -0.00187 -0.00002 0.00678 135 3S 0.00000 0.00000 -0.00103 -0.00105 0.00613 136 4PX 0.00000 0.00000 0.00012 0.00021 -0.00100 137 4PY 0.00000 0.00000 0.00036 0.00000 -0.00049 138 4PZ -0.00030 0.00048 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00084 0.00085 -0.00260 140 2S 0.00000 0.00000 0.00162 0.00164 -0.00457 141 3S 0.00000 0.00000 0.00198 0.00200 -0.00340 142 4PX 0.00000 0.00000 -0.00008 -0.00011 -0.00014 143 4PY 0.00000 0.00000 -0.00007 -0.00001 0.00007 144 4PZ 0.00001 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 2S 0.48917 57 2PX 0.00016 0.09087 58 2PY 0.00113 -0.00035 0.08804 59 2PZ 0.00000 0.00001 -0.00001 0.06857 60 3S -0.14234 -0.00058 -0.00430 0.00000 0.42721 61 3PX 0.00017 0.12751 -0.00052 0.00001 -0.00095 62 3PY 0.00131 -0.00052 0.12346 -0.00001 -0.00734 63 3PZ 0.00000 0.00001 -0.00001 0.10413 -0.00001 64 4S -0.10861 0.00164 0.01247 -0.00001 0.25324 65 4PX 0.00142 0.06255 0.00077 -0.00003 -0.00121 66 4PY 0.01102 0.00076 0.06850 -0.00001 -0.00957 67 4PZ 0.00000 -0.00002 0.00001 0.09457 -0.00002 68 5D 0 0.00266 0.00004 0.00033 0.00000 -0.01184 69 5D+1 0.00000 0.00000 -0.00001 -0.00065 0.00002 70 5D-1 0.00000 0.00000 0.00000 -0.00496 -0.00001 71 5D+2 -0.00034 -0.00362 -0.00770 0.00000 0.00115 72 5D-2 0.00009 -0.00967 0.00337 -0.00001 -0.00028 73 5 C 1S 0.00850 0.01767 0.00739 0.00001 -0.02220 74 2S 0.01304 0.02823 0.01178 0.00001 -0.03319 75 2PX -0.02821 -0.05829 -0.02475 -0.00005 0.07856 76 2PY -0.01183 -0.02727 -0.00699 0.00002 0.03337 77 2PZ 0.00000 -0.00005 0.00001 0.04454 0.00001 78 3S -0.03319 -0.07892 -0.03249 -0.00004 0.08289 79 3PX -0.04431 -0.08119 -0.03549 -0.00008 0.11285 80 3PY -0.01887 -0.03777 -0.01057 0.00003 0.04781 81 3PZ -0.00001 -0.00007 0.00001 0.06781 0.00002 82 4S 0.00781 -0.04556 -0.02893 -0.00005 0.00001 83 4PX -0.00885 -0.04961 -0.01451 -0.00008 0.03685 84 4PY -0.01016 -0.01552 -0.00219 0.00004 0.01948 85 4PZ 0.00001 -0.00006 0.00001 0.05889 -0.00001 86 5D 0 0.00233 0.00174 0.00092 0.00001 -0.00460 87 5D+1 0.00000 0.00000 -0.00001 0.00707 0.00000 88 5D-1 0.00000 -0.00001 0.00000 0.00298 0.00001 89 5D+2 -0.00512 -0.00214 -0.00873 0.00000 0.01078 90 5D-2 -0.00486 -0.00738 0.00445 -0.00001 0.01021 91 6 C 1S -0.00167 -0.00323 -0.00290 0.00000 0.00480 92 2S -0.00264 -0.00506 -0.00453 0.00000 0.00778 93 2PX 0.00303 0.00465 0.00183 0.00001 -0.00905 94 2PY 0.00609 0.00835 0.00745 0.00000 -0.01756 95 2PZ 0.00000 0.00000 -0.00001 -0.00361 0.00001 96 3S 0.00778 0.01452 0.01338 0.00000 -0.02298 97 3PX 0.00382 0.00639 0.00320 0.00001 -0.01255 98 3PY 0.00595 0.01146 0.00839 0.00000 -0.02116 99 3PZ 0.00000 -0.00001 -0.00001 -0.00501 0.00002 100 4S -0.00657 0.01084 0.02493 -0.00001 -0.00003 101 4PX 0.00071 0.01003 0.00218 0.00002 -0.00971 102 4PY 0.00423 0.01142 0.01869 -0.00001 -0.01624 103 4PZ 0.00000 0.00000 -0.00002 -0.01262 0.00001 104 5D 0 0.00018 -0.00002 0.00075 -0.00001 -0.00032 105 5D+1 0.00000 0.00000 0.00000 -0.00124 0.00000 106 5D-1 0.00000 -0.00001 0.00000 0.00670 0.00000 107 5D+2 -0.00016 -0.00210 0.00062 -0.00001 0.00196 108 5D-2 -0.00315 -0.00642 -0.00303 -0.00001 0.00829 109 7 H 1S -0.00080 -0.00011 -0.00085 0.00000 0.00218 110 2S -0.00073 -0.00031 -0.00247 0.00001 0.00362 111 3S 0.00129 0.00014 0.00105 0.00001 -0.00168 112 4PX -0.00006 -0.00043 0.00000 0.00000 0.00014 113 4PY -0.00045 0.00000 -0.00042 0.00000 0.00113 114 4PZ 0.00000 0.00000 0.00000 -0.00255 0.00000 115 8 H 1S -0.00408 0.00697 -0.00548 0.00001 0.01185 116 2S -0.00681 0.01134 -0.01112 0.00001 0.01857 117 3S -0.00513 0.01193 -0.01072 0.00000 0.01395 118 4PX 0.00012 0.00036 0.00005 0.00000 -0.00007 119 4PY 0.00016 -0.00049 0.00044 0.00000 -0.00071 120 4PZ 0.00000 0.00000 0.00000 -0.00053 0.00000 121 9 H 1S 0.00652 -0.01217 0.00368 -0.00001 -0.01917 122 2S 0.01066 -0.02131 0.00449 -0.00002 -0.02958 123 3S 0.00846 -0.02164 0.00017 -0.00002 -0.01943 124 4PX 0.00097 -0.00210 0.00003 0.00000 -0.00146 125 4PY -0.00122 0.00209 -0.00230 0.00000 0.00368 126 4PZ 0.00000 -0.00001 0.00000 0.00350 0.00000 127 10 H 1S -0.03097 0.00943 0.07340 -0.00001 0.08218 128 2S -0.04496 0.01350 0.10513 -0.00002 0.10506 129 3S -0.00534 0.00629 0.04912 -0.00001 0.01309 130 4PX 0.00102 0.00490 -0.00157 0.00000 -0.00199 131 4PY 0.00797 -0.00157 -0.00713 0.00000 -0.01549 132 4PZ 0.00000 0.00000 0.00000 0.00552 0.00000 133 11 H 1S 0.00653 0.01270 0.00049 0.00001 -0.01918 134 2S 0.01067 0.02175 -0.00102 0.00002 -0.02960 135 3S 0.00847 0.02099 -0.00530 0.00002 -0.01944 136 4PX -0.00125 -0.00263 0.00006 0.00000 0.00233 137 4PY -0.00094 -0.00200 -0.00177 0.00000 0.00320 138 4PZ 0.00000 0.00000 0.00000 0.00350 0.00000 139 12 H 1S -0.00408 -0.00812 -0.00354 -0.00001 0.01184 140 2S -0.00681 -0.01377 -0.00789 -0.00001 0.01856 141 3S -0.00513 -0.01423 -0.00736 0.00000 0.01394 142 4PX -0.00008 0.00047 -0.00006 0.00000 -0.00011 143 4PY 0.00018 0.00048 0.00032 0.00000 -0.00071 144 4PZ 0.00000 0.00000 0.00000 -0.00053 0.00000 61 62 63 64 65 61 3PX 0.17915 62 3PY -0.00078 0.17318 63 3PZ 0.00001 -0.00001 0.15815 64 4S 0.00225 0.01708 -0.00002 0.17471 65 4PX 0.08719 0.00111 -0.00005 0.00011 0.04656 66 4PY 0.00111 0.09588 -0.00001 0.00053 0.00125 67 4PZ -0.00004 0.00001 0.14352 -0.00002 -0.00007 68 5D 0 0.00007 0.00054 0.00001 -0.00602 0.00001 69 5D+1 0.00001 -0.00001 -0.00098 0.00002 0.00000 70 5D-1 -0.00001 0.00000 -0.00756 0.00000 0.00000 71 5D+2 -0.00515 -0.01078 0.00000 -0.00337 -0.00238 72 5D-2 -0.01383 0.00476 -0.00001 0.00088 -0.00557 73 5 C 1S 0.03022 0.01225 0.00002 0.00955 0.00798 74 2S 0.04455 0.01829 0.00002 0.00778 0.01345 75 2PX -0.08202 -0.03467 -0.00008 0.05260 -0.04059 76 2PY -0.03696 -0.00974 0.00003 0.01210 -0.02442 77 2PZ -0.00007 0.00002 0.06781 -0.00009 -0.00005 78 3S -0.11329 -0.04677 -0.00006 0.00005 -0.03974 79 3PX -0.11420 -0.04973 -0.00011 0.07538 -0.05666 80 3PY -0.05113 -0.01473 0.00005 0.01788 -0.03404 81 3PZ -0.00010 0.00003 0.10322 -0.00014 -0.00007 82 4S -0.06568 -0.04108 -0.00007 -0.04028 -0.02055 83 4PX -0.06987 -0.02030 -0.00012 0.02353 -0.03410 84 4PY -0.02102 -0.00306 0.00007 0.00565 -0.01437 85 4PZ -0.00009 0.00002 0.08955 -0.00016 -0.00006 86 5D 0 0.00250 0.00135 0.00001 -0.00145 0.00094 87 5D+1 0.00000 -0.00001 0.01074 0.00000 -0.00001 88 5D-1 -0.00001 0.00000 0.00447 0.00002 -0.00001 89 5D+2 -0.00278 -0.01223 0.00000 0.00535 -0.00245 90 5D-2 -0.01020 0.00621 -0.00001 0.00980 -0.00606 91 6 C 1S -0.00233 -0.00296 0.00000 -0.00782 -0.00213 92 2S -0.00472 -0.00526 0.00000 -0.00658 -0.00388 93 2PX 0.00450 0.00268 0.00001 -0.02116 0.01460 94 2PY 0.01094 0.01028 0.00000 -0.01707 0.01266 95 2PZ -0.00001 -0.00001 -0.00501 -0.00010 0.00001 96 3S 0.01705 0.01771 0.00000 -0.00002 0.01305 97 3PX 0.00616 0.00463 0.00001 -0.02972 0.02028 98 3PY 0.01489 0.01153 0.00000 -0.02200 0.01782 99 3PZ -0.00001 -0.00001 -0.00688 -0.00016 0.00001 100 4S 0.01332 0.03449 -0.00001 0.02502 0.00854 101 4PX 0.01226 0.00326 0.00003 -0.01332 0.01693 102 4PY 0.01562 0.02609 -0.00001 -0.01254 0.01190 103 4PZ 0.00000 -0.00003 -0.01857 -0.00016 0.00002 104 5D 0 0.00004 0.00110 -0.00001 0.00011 -0.00002 105 5D+1 0.00001 0.00000 -0.00181 0.00000 0.00000 106 5D-1 -0.00001 0.00000 0.01015 -0.00001 -0.00001 107 5D+2 -0.00267 0.00085 -0.00001 0.00255 -0.00300 108 5D-2 -0.00891 -0.00426 -0.00001 0.00692 -0.00506 109 7 H 1S -0.00013 -0.00103 0.00000 0.00278 0.00048 110 2S -0.00041 -0.00324 0.00001 0.00410 0.00063 111 3S 0.00021 0.00159 0.00001 -0.00052 0.00070 112 4PX -0.00048 -0.00001 0.00000 0.00015 -0.00064 113 4PY -0.00001 -0.00057 0.00000 0.00117 0.00006 114 4PZ 0.00000 0.00000 -0.00383 0.00000 0.00000 115 8 H 1S 0.00852 -0.00765 0.00001 0.02407 0.01434 116 2S 0.01398 -0.01550 0.00001 0.03462 0.02179 117 3S 0.01552 -0.01484 0.00000 0.01757 0.01506 118 4PX 0.00055 0.00010 0.00000 -0.00145 -0.00049 119 4PY -0.00073 0.00058 0.00000 0.00072 0.00022 120 4PZ 0.00000 0.00000 -0.00078 0.00001 0.00000 121 9 H 1S -0.01728 0.00497 -0.00002 -0.03129 -0.00879 122 2S -0.03019 0.00604 -0.00003 -0.04567 -0.01510 123 3S -0.03049 0.00027 -0.00003 -0.02249 -0.01537 124 4PX -0.00293 0.00009 -0.00001 0.00130 -0.00151 125 4PY 0.00288 -0.00318 0.00000 0.00296 0.00158 126 4PZ -0.00001 0.00000 0.00532 0.00001 -0.00001 127 10 H 1S 0.01318 0.10264 -0.00002 0.06279 0.00727 128 2S 0.01888 0.14704 -0.00002 0.08248 0.01048 129 3S 0.00881 0.06879 -0.00001 0.01809 0.00510 130 4PX 0.00688 -0.00220 0.00000 -0.00131 0.00336 131 4PY -0.00220 -0.00995 0.00000 -0.01017 -0.00112 132 4PZ 0.00000 0.00000 0.00838 0.00000 0.00000 133 11 H 1S 0.01797 0.00045 0.00002 -0.03127 0.00983 134 2S 0.03073 -0.00177 0.00002 -0.04564 0.01626 135 3S 0.02957 -0.00745 0.00002 -0.02246 0.01488 136 4PX -0.00367 0.00004 -0.00001 -0.00052 -0.00187 137 4PY -0.00276 -0.00244 0.00000 0.00319 -0.00171 138 4PZ 0.00000 0.00000 0.00533 -0.00001 0.00000 139 12 H 1S -0.01016 -0.00525 -0.00001 0.02406 -0.01658 140 2S -0.01742 -0.01146 -0.00001 0.03461 -0.02565 141 3S -0.01873 -0.01043 0.00000 0.01756 -0.01796 142 4PX 0.00071 -0.00013 0.00000 0.00159 -0.00064 143 4PY 0.00070 0.00043 0.00000 0.00033 0.00005 144 4PZ 0.00000 0.00000 -0.00078 -0.00001 0.00000 66 67 68 69 70 66 4PY 0.05631 67 4PZ 0.00000 0.13225 68 5D 0 0.00011 0.00001 0.00039 69 5D+1 -0.00002 -0.00084 0.00000 0.00121 70 5D-1 0.00000 -0.00644 0.00000 -0.00010 0.00047 71 5D+2 -0.00662 0.00000 -0.00006 0.00000 0.00000 72 5D-2 0.00253 0.00000 0.00001 0.00000 0.00000 73 5 C 1S -0.00362 0.00001 0.00183 0.00000 0.00000 74 2S -0.00083 0.00001 0.00233 0.00000 0.00000 75 2PX -0.02342 -0.00005 -0.00188 0.00000 0.00000 76 2PY -0.01121 0.00004 -0.00060 0.00000 0.00000 77 2PZ 0.00006 0.05889 0.00000 -0.00709 -0.00294 78 3S -0.01256 -0.00003 -0.00461 0.00001 0.00001 79 3PX -0.03334 -0.00008 -0.00271 0.00000 0.00001 80 3PY -0.01626 0.00006 -0.00083 0.00000 0.00000 81 3PZ 0.00010 0.08956 -0.00001 -0.01072 -0.00451 82 4S -0.01276 -0.00005 -0.00145 -0.00001 0.00001 83 4PX -0.01337 -0.00009 -0.00092 0.00000 0.00001 84 4PY -0.00673 0.00007 -0.00041 0.00001 0.00000 85 4PZ 0.00009 0.07924 -0.00001 -0.01040 -0.00344 86 5D 0 0.00037 0.00001 0.00021 0.00000 0.00000 87 5D+1 -0.00001 0.00976 0.00000 0.00004 -0.00052 88 5D-1 -0.00001 0.00499 0.00000 0.00068 -0.00011 89 5D+2 -0.00753 0.00000 -0.00022 0.00000 0.00000 90 5D-2 0.00311 -0.00001 -0.00016 0.00000 0.00000 91 6 C 1S 0.00051 0.00000 0.00014 0.00000 0.00000 92 2S -0.00181 0.00000 0.00018 0.00000 0.00000 93 2PX 0.00344 0.00001 -0.00073 0.00000 0.00000 94 2PY 0.01413 -0.00001 -0.00018 -0.00001 0.00000 95 2PZ 0.00005 -0.01263 -0.00001 -0.00678 -0.00059 96 3S 0.01368 -0.00001 -0.00032 -0.00001 0.00000 97 3PX 0.00547 0.00002 -0.00104 0.00000 0.00000 98 3PY 0.01807 -0.00002 -0.00033 -0.00002 0.00000 99 3PZ 0.00008 -0.01858 -0.00001 -0.01026 -0.00095 100 4S 0.01618 -0.00002 0.00011 0.00001 0.00000 101 4PX 0.00243 0.00004 -0.00029 0.00001 0.00000 102 4PY 0.02088 -0.00003 -0.00006 -0.00001 0.00000 103 4PZ 0.00007 -0.02695 -0.00001 -0.00995 0.00005 104 5D 0 0.00029 -0.00001 0.00007 0.00000 0.00000 105 5D+1 0.00000 -0.00270 0.00000 -0.00008 -0.00012 106 5D-1 0.00000 0.00959 0.00000 -0.00074 -0.00032 107 5D+2 -0.00086 -0.00001 -0.00001 0.00000 0.00000 108 5D-2 -0.00278 -0.00001 -0.00014 0.00000 0.00000 109 7 H 1S 0.00370 0.00000 0.00031 0.00000 0.00000 110 2S 0.00482 0.00001 0.00041 0.00000 0.00000 111 3S 0.00546 0.00001 0.00020 -0.00001 0.00000 112 4PX 0.00006 0.00000 0.00000 0.00000 0.00000 113 4PY -0.00021 0.00000 0.00003 0.00000 0.00000 114 4PZ 0.00000 -0.00432 0.00000 0.00000 0.00001 115 8 H 1S -0.01076 0.00002 0.00041 0.00000 0.00000 116 2S -0.01815 0.00001 0.00054 0.00000 0.00000 117 3S -0.01350 0.00000 0.00013 0.00001 0.00000 118 4PX 0.00065 0.00000 -0.00005 0.00000 0.00000 119 4PY 0.00038 0.00000 0.00005 0.00000 0.00000 120 4PZ 0.00000 -0.00132 0.00000 0.00054 -0.00016 121 9 H 1S 0.00524 -0.00002 -0.00005 0.00000 0.00000 122 2S 0.00653 -0.00002 -0.00001 0.00000 0.00001 123 3S 0.00005 -0.00002 0.00028 0.00000 0.00000 124 4PX -0.00030 0.00000 0.00011 0.00000 0.00000 125 4PY -0.00235 0.00000 -0.00005 0.00000 0.00000 126 4PZ 0.00000 0.00467 0.00000 0.00052 -0.00036 127 10 H 1S 0.05670 -0.00001 -0.00213 0.00000 0.00000 128 2S 0.08173 -0.00001 -0.00275 0.00000 0.00000 129 3S 0.03987 -0.00001 -0.00035 0.00000 0.00000 130 4PX -0.00112 0.00000 0.00005 0.00000 0.00000 131 4PY -0.00523 0.00000 0.00041 0.00000 0.00000 132 4PZ 0.00000 0.00767 0.00000 -0.00005 -0.00039 133 11 H 1S 0.00283 0.00001 -0.00005 0.00001 0.00000 134 2S 0.00248 0.00002 0.00000 0.00001 0.00000 135 3S -0.00386 0.00002 0.00028 0.00000 0.00000 136 4PX 0.00018 0.00000 -0.00011 0.00000 0.00000 137 4PY -0.00198 0.00000 -0.00002 0.00000 0.00000 138 4PZ 0.00001 0.00468 0.00000 -0.00059 -0.00022 139 12 H 1S -0.00680 -0.00001 0.00041 0.00000 0.00000 140 2S -0.01207 -0.00001 0.00054 0.00000 0.00000 141 3S -0.00926 0.00000 0.00013 0.00000 0.00000 142 4PX -0.00038 0.00000 0.00006 0.00000 0.00000 143 4PY 0.00053 0.00000 0.00003 0.00000 0.00000 144 4PZ 0.00000 -0.00132 0.00000 -0.00056 -0.00002 71 72 73 74 75 71 5D+2 0.00257 72 5D-2 -0.00016 0.00202 73 5 C 1S -0.00366 -0.00401 0.65853 74 2S -0.00479 -0.00518 0.56011 0.48917 75 2PX 0.00190 0.00774 -0.00069 -0.00091 0.08908 76 2PY 0.00844 -0.00449 0.00052 0.00069 0.00141 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 78 3S 0.01006 0.01092 -0.08153 -0.14235 0.00347 79 3PX 0.00259 0.01070 -0.00047 -0.00105 0.12494 80 3PY 0.01172 -0.00644 0.00036 0.00080 0.00202 81 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 82 4S 0.00972 0.00548 -0.07766 -0.10858 -0.01004 83 4PX 0.00194 0.00711 -0.00934 -0.00883 0.06632 84 4PY 0.00654 -0.00345 0.00711 0.00672 -0.00295 85 4PZ 0.00001 0.00000 -0.00001 -0.00001 -0.00001 86 5D 0 -0.00015 -0.00022 0.00070 0.00266 -0.00027 87 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00000 0.00001 89 5D+2 0.00129 -0.00082 0.00006 0.00009 0.00428 90 5D-2 -0.00079 0.00126 -0.00021 -0.00034 0.00809 91 6 C 1S 0.00089 -0.00189 0.00535 0.00849 0.00243 92 2S 0.00175 -0.00262 0.00849 0.01303 0.00391 93 2PX 0.00037 0.00163 -0.00244 -0.00386 0.00269 94 2PY -0.00518 0.00505 -0.01899 -0.03033 -0.01046 95 2PZ 0.00001 -0.00001 0.00001 0.00002 -0.00001 96 3S -0.00593 0.00612 -0.02218 -0.03315 -0.01131 97 3PX 0.00042 0.00227 -0.00379 -0.00581 0.00347 98 3PY -0.00700 0.00715 -0.03237 -0.04779 -0.01340 99 3PZ 0.00002 -0.00001 0.00002 0.00003 -0.00002 100 4S -0.00574 0.00465 0.00955 0.00779 0.00232 101 4PX -0.00071 0.00114 0.00561 0.00437 -0.00104 102 4PY -0.00556 0.00323 -0.00675 -0.01275 -0.01353 103 4PZ 0.00001 -0.00001 0.00001 0.00001 -0.00002 104 5D 0 0.00008 -0.00011 0.00182 0.00233 0.00008 105 5D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 106 5D-1 0.00000 0.00000 0.00001 0.00001 0.00000 107 5D+2 0.00040 -0.00033 0.00519 0.00677 0.00329 108 5D-2 -0.00006 0.00105 -0.00157 -0.00200 0.00939 109 7 H 1S -0.00116 0.00030 -0.00260 -0.00408 -0.00099 110 2S -0.00223 0.00058 -0.00457 -0.00682 -0.00005 111 3S -0.00272 0.00071 -0.00340 -0.00513 -0.00074 112 4PX 0.00003 0.00005 -0.00013 -0.00020 0.00018 113 4PY 0.00014 -0.00004 -0.00008 0.00002 0.00023 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00096 0.00072 -0.00059 -0.00080 0.00068 116 2S 0.00162 0.00094 -0.00022 -0.00072 0.00198 117 3S 0.00142 -0.00038 0.00120 0.00129 -0.00085 118 4PX -0.00024 -0.00021 0.00026 0.00036 -0.00042 119 4PY -0.00028 0.00007 -0.00020 -0.00028 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00769 0.00239 -0.00260 -0.00408 0.00822 122 2S 0.01107 0.00403 -0.00457 -0.00681 0.01529 123 3S 0.00566 0.00333 -0.00340 -0.00513 0.01523 124 4PX -0.00073 0.00014 0.00004 -0.00007 0.00061 125 4PY 0.00010 -0.00023 0.00015 0.00019 -0.00020 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S -0.00797 0.00208 0.00394 0.00653 -0.00927 128 2S -0.01199 0.00313 0.00678 0.01067 -0.01454 129 3S -0.00730 0.00191 0.00613 0.00846 -0.01095 130 4PX -0.00010 -0.00059 0.00105 0.00155 -0.00316 131 4PY 0.00044 -0.00003 0.00037 0.00023 0.00059 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00555 -0.00585 -0.01965 -0.03097 -0.05887 134 2S 0.00770 -0.00893 -0.03152 -0.04495 -0.08433 135 3S 0.00332 -0.00567 -0.00341 -0.00533 -0.03940 136 4PX 0.00073 -0.00019 -0.00505 -0.00639 -0.00277 137 4PY 0.00002 0.00020 0.00385 0.00486 0.00599 138 4PZ 0.00000 0.00000 -0.00001 -0.00001 -0.00001 139 12 H 1S 0.00049 -0.00109 0.00394 0.00653 0.00593 140 2S 0.00095 -0.00161 0.00678 0.01067 0.01177 141 3S 0.00142 -0.00037 0.00613 0.00847 0.01508 142 4PX 0.00003 -0.00027 -0.00008 0.00019 -0.00114 143 4PY -0.00030 0.00015 -0.00111 -0.00155 -0.00092 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 2PY 0.08984 77 2PZ -0.00001 0.06857 78 3S -0.00263 0.00000 0.42721 79 3PX 0.00202 0.00001 0.00590 0.17534 80 3PY 0.12604 -0.00001 -0.00450 0.00297 0.17698 81 3PZ -0.00001 0.10414 0.00000 0.00001 -0.00001 82 4S 0.00762 0.00006 0.25319 -0.01376 0.01044 83 4PX -0.00295 0.00002 0.00763 0.09269 -0.00431 84 4PY 0.06470 0.00000 -0.00584 -0.00432 0.09034 85 4PZ 0.00003 0.09456 0.00000 -0.00002 0.00005 86 5D 0 0.00020 0.00001 -0.01184 -0.00043 0.00033 87 5D+1 0.00001 0.00398 0.00001 -0.00001 0.00001 88 5D-1 0.00000 -0.00303 -0.00001 0.00001 0.00001 89 5D+2 0.00929 0.00000 -0.00031 0.00617 0.01324 90 5D-2 -0.00270 0.00001 0.00115 0.01138 -0.00373 91 6 C 1S 0.01899 -0.00001 -0.02218 0.00450 0.03228 92 2S 0.03033 -0.00002 -0.03315 0.00643 0.04771 93 2PX -0.00796 -0.00001 0.01038 0.00318 -0.01226 94 2PY -0.06798 0.00007 0.08468 -0.01452 -0.09497 95 2PZ 0.00008 0.04448 -0.00006 -0.00002 0.00011 96 3S -0.08456 0.00007 0.08282 -0.01612 -0.12146 97 3PX -0.01113 -0.00001 0.01503 0.00404 -0.01718 98 3PY -0.09527 0.00011 0.12162 -0.01854 -0.13304 99 3PZ 0.00012 0.06771 -0.00009 -0.00003 0.00017 100 4S -0.05396 -0.00004 0.00004 0.00279 -0.07748 101 4PX -0.01255 -0.00006 0.00158 -0.00187 -0.01828 102 4PY -0.05077 0.00004 0.04165 -0.01895 -0.07108 103 4PZ 0.00008 0.05879 -0.00004 -0.00004 0.00011 104 5D 0 0.00197 -0.00001 -0.00460 0.00008 0.00283 105 5D+1 0.00000 0.00095 -0.00001 -0.00001 0.00001 106 5D-1 0.00001 0.00761 -0.00002 0.00000 0.00002 107 5D+2 0.00671 -0.00001 -0.01424 0.00448 0.00922 108 5D-2 -0.00330 0.00000 0.00423 0.01320 -0.00452 109 7 H 1S -0.00881 0.00001 0.01185 -0.00053 -0.01143 110 2S -0.01588 0.00002 0.01857 0.00122 -0.02084 111 3S -0.01602 0.00003 0.01395 -0.00033 -0.02146 112 4PX -0.00031 0.00000 0.00055 0.00025 -0.00044 113 4PY 0.00062 0.00000 -0.00045 0.00039 0.00088 114 4PZ 0.00000 -0.00053 0.00000 0.00000 0.00000 115 8 H 1S -0.00052 -0.00001 0.00217 0.00082 -0.00063 116 2S -0.00152 -0.00003 0.00361 0.00259 -0.00198 117 3S 0.00064 -0.00003 -0.00168 -0.00129 0.00097 118 4PX -0.00001 0.00000 -0.00091 -0.00054 0.00004 119 4PY -0.00042 0.00000 0.00069 0.00005 -0.00051 120 4PZ 0.00000 -0.00255 0.00000 0.00000 0.00000 121 9 H 1S 0.00329 0.00000 0.01184 0.01087 0.00355 122 2S 0.00426 0.00002 0.01856 0.02040 0.00435 123 3S 0.00496 0.00002 0.01394 0.02058 0.00601 124 4PX 0.00035 0.00000 0.00058 0.00085 0.00056 125 4PY 0.00019 0.00000 -0.00042 -0.00027 0.00028 126 4PZ 0.00000 -0.00053 0.00000 0.00000 0.00000 127 10 H 1S -0.00870 0.00000 -0.01918 -0.01294 -0.01248 128 2S -0.01621 0.00000 -0.02959 -0.02031 -0.02312 129 3S -0.01866 -0.00001 -0.01943 -0.01544 -0.02628 130 4PX -0.00148 0.00000 -0.00392 -0.00440 -0.00203 131 4PY -0.00124 0.00000 0.00058 0.00077 -0.00170 132 4PZ 0.00000 0.00350 0.00000 -0.00001 0.00000 133 11 H 1S 0.04483 -0.00006 0.08216 -0.08232 0.06270 134 2S 0.06422 -0.00008 0.10503 -0.11795 0.08984 135 3S 0.03002 -0.00003 0.01307 -0.05518 0.04205 136 4PX 0.00599 -0.00001 0.01243 -0.00385 0.00838 137 4PY 0.00054 0.00001 -0.00946 0.00839 0.00078 138 4PZ 0.00001 0.00552 0.00001 -0.00001 0.00001 139 12 H 1S 0.01125 -0.00001 -0.01917 0.00859 0.01578 140 2S 0.01832 -0.00002 -0.02959 0.01690 0.02572 141 3S 0.01553 -0.00002 -0.01944 0.02123 0.02189 142 4PX 0.00114 0.00000 -0.00160 -0.00157 0.00154 143 4PY -0.00326 0.00000 0.00363 -0.00125 -0.00454 144 4PZ 0.00001 0.00350 0.00000 0.00000 0.00001 81 82 83 84 85 81 3PZ 0.15816 82 4S 0.00010 0.17467 83 4PX 0.00002 -0.00048 0.05274 84 4PY 0.00000 0.00034 -0.00485 0.05009 85 4PZ 0.14349 0.00011 0.00001 0.00002 0.13220 86 5D 0 0.00001 -0.00601 -0.00008 0.00006 0.00001 87 5D+1 0.00607 0.00000 -0.00001 0.00001 0.00517 88 5D-1 -0.00461 -0.00002 0.00000 0.00000 -0.00393 89 5D+2 -0.00001 0.00093 0.00202 0.00577 0.00000 90 5D-2 0.00001 -0.00335 0.00642 -0.00288 0.00001 91 6 C 1S -0.00002 0.00956 0.00714 0.00511 0.00000 92 2S -0.00004 0.00780 0.00745 0.01124 -0.00001 93 2PX -0.00001 0.01582 0.00216 -0.00026 -0.00001 94 2PY 0.00011 0.05161 -0.00127 -0.05397 0.00007 95 2PZ 0.06771 0.00006 0.00002 0.00005 0.05879 96 3S 0.00010 0.00001 -0.00899 -0.04070 0.00004 97 3PX -0.00002 0.02220 0.00281 -0.00030 -0.00002 98 3PY 0.00015 0.07424 -0.00100 -0.07576 0.00011 99 3PZ 0.10308 0.00010 0.00002 0.00007 0.08941 100 4S -0.00007 -0.04026 0.00081 -0.02424 -0.00011 101 4PX -0.00009 0.00687 -0.00154 -0.00444 -0.00009 102 4PY 0.00006 0.02323 -0.00541 -0.03929 0.00003 103 4PZ 0.08941 0.00013 0.00003 0.00004 0.07909 104 5D 0 -0.00002 -0.00145 0.00015 0.00099 -0.00001 105 5D+1 0.00150 0.00000 0.00000 0.00000 0.00056 106 5D-1 0.01153 0.00000 0.00000 0.00001 0.01094 107 5D+2 -0.00001 -0.01117 0.00231 0.00614 -0.00001 108 5D-2 0.00001 -0.00026 0.00744 -0.00326 0.00000 109 7 H 1S 0.00001 0.02408 -0.00240 -0.01776 0.00001 110 2S 0.00004 0.03463 -0.00237 -0.02826 0.00004 111 3S 0.00004 0.01757 -0.00096 -0.02019 0.00004 112 4PX 0.00000 0.00051 0.00038 -0.00064 0.00000 113 4PY 0.00000 0.00155 -0.00021 -0.00049 0.00000 114 4PZ -0.00078 0.00000 0.00000 0.00000 -0.00132 115 8 H 1S -0.00001 0.00278 -0.00297 0.00225 -0.00001 116 2S -0.00004 0.00411 -0.00388 0.00294 -0.00005 117 3S -0.00005 -0.00052 -0.00439 0.00333 -0.00005 118 4PX 0.00000 -0.00094 -0.00037 -0.00021 0.00001 119 4PY 0.00000 0.00072 -0.00021 -0.00049 0.00000 120 4PZ -0.00383 -0.00001 0.00000 0.00000 -0.00431 121 9 H 1S 0.00000 0.02406 0.01648 0.00703 0.00000 122 2S 0.00002 0.03461 0.02661 0.00978 0.00002 123 3S 0.00003 0.01756 0.01920 0.00628 0.00003 124 4PX 0.00000 -0.00136 -0.00022 -0.00037 0.00000 125 4PY 0.00000 -0.00090 -0.00081 0.00010 0.00000 126 4PZ -0.00078 -0.00001 0.00000 0.00000 -0.00132 127 10 H 1S 0.00001 -0.03126 -0.00891 -0.00501 0.00000 128 2S 0.00000 -0.04563 -0.01317 -0.00983 -0.00001 129 3S -0.00001 -0.02246 -0.00769 -0.01330 -0.00002 130 4PX -0.00001 -0.00190 -0.00269 -0.00090 0.00000 131 4PY 0.00000 0.00261 0.00099 -0.00116 0.00000 132 4PZ 0.00533 0.00000 -0.00001 0.00000 0.00468 133 11 H 1S -0.00009 0.06280 -0.04547 0.03464 -0.00004 134 2S -0.00012 0.08249 -0.06555 0.04994 -0.00005 135 3S -0.00004 0.01809 -0.03198 0.02437 -0.00001 136 4PX -0.00001 0.00816 -0.00212 0.00428 -0.00001 137 4PY 0.00001 -0.00621 0.00428 0.00024 0.00001 138 4PZ 0.00838 0.00002 -0.00001 0.00001 0.00767 139 12 H 1S -0.00001 -0.03128 0.00246 0.00992 -0.00001 140 2S -0.00003 -0.04565 0.00597 0.01531 -0.00003 141 3S -0.00003 -0.02249 0.01076 0.01096 -0.00003 142 4PX 0.00000 -0.00302 -0.00129 0.00137 0.00000 143 4PY 0.00001 0.00115 -0.00051 -0.00257 0.00000 144 4PZ 0.00532 0.00001 0.00000 0.00000 0.00467 86 87 88 89 90 86 5D 0 0.00039 87 5D+1 0.00000 0.00074 88 5D-1 0.00000 0.00037 0.00094 89 5D+2 0.00002 0.00000 0.00000 0.00203 90 5D-2 -0.00006 0.00000 0.00000 -0.00016 0.00257 91 6 C 1S 0.00182 0.00000 0.00001 0.00530 -0.00116 92 2S 0.00233 0.00000 0.00001 0.00688 -0.00156 93 2PX -0.00042 0.00001 0.00000 -0.00354 -0.00939 94 2PY -0.00193 -0.00001 -0.00001 -0.00680 0.00285 95 2PZ 0.00001 -0.00100 -0.00760 0.00001 0.00000 96 3S -0.00460 -0.00001 -0.00002 -0.01449 0.00325 97 3PX -0.00063 0.00001 -0.00001 -0.00504 -0.01312 98 3PY -0.00276 -0.00001 -0.00002 -0.00928 0.00400 99 3PZ 0.00002 -0.00146 -0.01153 0.00001 0.00000 100 4S -0.00145 -0.00001 0.00000 -0.00962 0.00568 101 4PX -0.00011 0.00001 0.00000 -0.00332 -0.00733 102 4PY -0.00100 -0.00001 -0.00001 -0.00632 0.00207 103 4PZ 0.00001 -0.00222 -0.01073 0.00001 0.00000 104 5D 0 0.00021 0.00000 0.00000 0.00027 -0.00002 105 5D+1 0.00000 -0.00014 -0.00057 0.00000 0.00000 106 5D-1 0.00000 0.00063 0.00007 0.00000 0.00000 107 5D+2 0.00025 0.00000 0.00000 0.00057 0.00038 108 5D-2 -0.00011 0.00000 0.00000 0.00041 0.00197 109 7 H 1S 0.00041 0.00000 0.00000 0.00070 0.00097 110 2S 0.00054 0.00000 0.00000 0.00092 0.00163 111 3S 0.00013 0.00000 0.00000 -0.00040 0.00141 112 4PX 0.00000 0.00000 0.00000 0.00009 0.00037 113 4PY 0.00007 0.00000 0.00000 0.00020 -0.00002 114 4PZ 0.00000 -0.00027 -0.00050 0.00000 0.00000 115 8 H 1S 0.00031 0.00000 0.00000 0.00032 -0.00116 116 2S 0.00041 0.00000 0.00000 0.00061 -0.00222 117 3S 0.00020 0.00000 0.00000 0.00075 -0.00272 118 4PX -0.00002 0.00000 0.00000 0.00000 -0.00012 119 4PY 0.00002 0.00000 0.00000 -0.00006 0.00007 120 4PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 121 9 H 1S 0.00041 0.00000 0.00000 -0.00110 0.00047 122 2S 0.00054 0.00000 0.00000 -0.00162 0.00093 123 3S 0.00013 0.00000 0.00000 -0.00039 0.00142 124 4PX -0.00007 0.00000 0.00000 0.00008 0.00019 125 4PY -0.00002 0.00000 0.00000 0.00030 -0.00023 126 4PZ 0.00000 0.00041 0.00039 0.00000 0.00000 127 10 H 1S -0.00005 0.00000 0.00000 -0.00592 0.00546 128 2S 0.00000 -0.00001 0.00000 -0.00904 0.00757 129 3S 0.00028 0.00000 0.00000 -0.00572 0.00324 130 4PX 0.00009 0.00000 0.00000 -0.00001 -0.00053 131 4PY 0.00007 0.00000 0.00000 0.00028 -0.00050 132 4PZ 0.00000 0.00057 0.00027 0.00000 0.00000 133 11 H 1S -0.00213 0.00001 0.00000 0.00219 -0.00794 134 2S -0.00275 0.00001 -0.00001 0.00330 -0.01195 135 3S -0.00035 0.00001 0.00000 0.00201 -0.00728 136 4PX -0.00033 0.00000 0.00000 0.00044 -0.00024 137 4PY 0.00025 0.00000 0.00000 0.00039 0.00038 138 4PZ 0.00000 0.00031 -0.00024 0.00000 0.00000 139 12 H 1S -0.00005 0.00000 0.00001 0.00229 0.00772 140 2S -0.00001 -0.00001 0.00001 0.00388 0.01113 141 3S 0.00028 0.00000 0.00001 0.00325 0.00570 142 4PX -0.00004 0.00000 0.00000 0.00006 0.00044 143 4PY -0.00011 0.00000 0.00000 -0.00027 0.00059 144 4PZ 0.00000 -0.00011 -0.00062 0.00000 0.00000 91 92 93 94 95 91 6 C 1S 0.65853 92 2S 0.56011 0.48917 93 2PX -0.00080 -0.00106 0.08844 94 2PY -0.00033 -0.00043 -0.00105 0.09048 95 2PZ 0.00000 0.00000 0.00001 -0.00001 0.06857 96 3S -0.08153 -0.14234 0.00401 0.00166 0.00001 97 3PX -0.00054 -0.00122 0.12403 -0.00150 0.00001 98 3PY -0.00023 -0.00051 -0.00150 0.12696 -0.00001 99 3PZ 0.00000 0.00000 0.00001 -0.00001 0.10414 100 4S -0.07766 -0.10859 -0.01160 -0.00483 -0.00008 101 4PX -0.01085 -0.01026 0.06768 0.00219 -0.00007 102 4PY -0.00453 -0.00428 0.00219 0.06337 0.00000 103 4PZ 0.00000 -0.00001 -0.00001 0.00002 0.09456 104 5D 0 0.00070 0.00266 -0.00031 -0.00013 0.00000 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00462 106 5D-1 0.00000 0.00000 -0.00001 -0.00001 0.00192 107 5D+2 0.00015 0.00025 -0.00258 -0.00907 0.00000 108 5D-2 0.00015 0.00025 -0.00830 0.00441 0.00000 109 7 H 1S 0.00394 0.00653 -0.00678 0.01076 -0.00001 110 2S 0.00678 0.01066 -0.00998 0.01935 -0.00001 111 3S 0.00613 0.00846 -0.00590 0.02082 0.00000 112 4PX 0.00092 0.00144 -0.00282 0.00189 0.00000 113 4PY -0.00063 -0.00061 -0.00017 -0.00158 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00350 115 8 H 1S -0.00260 -0.00408 0.00713 -0.00526 0.00000 116 2S -0.00457 -0.00681 0.01372 -0.00798 -0.00001 117 3S -0.00340 -0.00513 0.01350 -0.00865 -0.00002 118 4PX 0.00000 -0.00012 0.00054 -0.00044 0.00000 119 4PY -0.00015 -0.00016 0.00010 0.00025 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00053 121 9 H 1S -0.00059 -0.00080 0.00079 0.00033 0.00000 122 2S -0.00022 -0.00073 0.00230 0.00097 0.00001 123 3S 0.00120 0.00129 -0.00098 -0.00040 0.00003 124 4PX 0.00030 0.00042 -0.00042 0.00000 0.00000 125 4PY 0.00013 0.00018 0.00000 -0.00042 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00255 127 10 H 1S -0.00260 -0.00408 0.00126 0.00877 -0.00001 128 2S -0.00457 -0.00681 0.00396 0.01538 -0.00003 129 3S -0.00340 -0.00513 0.00332 0.01568 -0.00003 130 4PX -0.00011 -0.00020 0.00023 0.00042 0.00000 131 4PY 0.00011 0.00003 -0.00013 0.00057 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00053 133 11 H 1S 0.00394 0.00652 0.00290 -0.01238 0.00001 134 2S 0.00678 0.01067 0.00677 -0.02070 0.00002 135 3S 0.00613 0.00847 0.01068 -0.01884 0.00003 136 4PX 0.00020 0.00057 -0.00133 -0.00164 0.00000 137 4PY 0.00110 0.00145 0.00042 -0.00307 0.00001 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00350 139 12 H 1S -0.01965 -0.03097 -0.06828 -0.02854 -0.00001 140 2S -0.03153 -0.04497 -0.09780 -0.04088 -0.00002 141 3S -0.00341 -0.00534 -0.04569 -0.01911 -0.00002 142 4PX -0.00586 -0.00741 -0.00548 -0.00442 0.00000 143 4PY -0.00245 -0.00310 -0.00443 0.00325 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00552 96 97 98 99 100 96 3S 0.42719 97 3PX 0.00684 0.17400 98 3PY 0.00286 -0.00219 0.17833 99 3PZ 0.00002 0.00000 -0.00001 0.15816 100 4S 0.25321 -0.01590 -0.00660 -0.00012 0.17468 101 4PX 0.00890 0.09467 0.00320 -0.00010 -0.00050 102 4PY 0.00372 0.00320 0.08838 0.00000 -0.00019 103 4PZ 0.00003 -0.00002 0.00004 0.14350 -0.00011 104 5D 0 -0.01184 -0.00050 -0.00021 0.00000 -0.00601 105 5D+1 0.00001 0.00000 0.00000 0.00704 0.00000 106 5D-1 -0.00001 -0.00001 -0.00001 0.00293 -0.00001 107 5D+2 -0.00083 -0.00354 -0.01290 0.00000 0.00244 108 5D-2 -0.00085 -0.01171 0.00637 -0.00001 0.00248 109 7 H 1S -0.01917 -0.00937 0.01533 -0.00002 -0.03127 110 2S -0.02958 -0.01382 0.02749 -0.00001 -0.04564 111 3S -0.01943 -0.00833 0.02933 0.00000 -0.02246 112 4PX -0.00394 -0.00392 0.00261 0.00000 -0.00250 113 4PY 0.00043 -0.00018 -0.00219 0.00000 -0.00204 114 4PZ 0.00000 0.00000 0.00001 0.00533 0.00000 115 8 H 1S 0.01184 0.00963 -0.00618 0.00000 0.02407 116 2S 0.01856 0.01864 -0.00936 -0.00002 0.03462 117 3S 0.01395 0.01841 -0.01101 -0.00003 0.01757 118 4PX 0.00067 0.00074 -0.00068 0.00000 -0.00109 119 4PY 0.00026 0.00015 0.00039 0.00000 0.00121 120 4PZ 0.00000 0.00000 0.00000 -0.00078 0.00001 121 9 H 1S 0.00218 0.00096 0.00041 0.00000 0.00278 122 2S 0.00362 0.00300 0.00127 0.00002 0.00410 123 3S -0.00168 -0.00149 -0.00061 0.00004 -0.00052 124 4PX -0.00105 -0.00056 -0.00003 0.00000 -0.00109 125 4PY -0.00044 -0.00003 -0.00049 0.00000 -0.00046 126 4PZ 0.00000 0.00000 0.00000 -0.00383 0.00001 127 10 H 1S 0.01185 0.00237 0.01120 -0.00002 0.02407 128 2S 0.01856 0.00643 0.01985 -0.00004 0.03462 129 3S 0.01394 0.00509 0.02084 -0.00004 0.01757 130 4PX 0.00065 0.00030 0.00059 0.00000 0.00010 131 4PY 0.00030 -0.00024 0.00083 0.00000 -0.00162 132 4PZ 0.00000 0.00000 0.00000 -0.00078 0.00000 133 11 H 1S -0.01917 0.00434 -0.01744 0.00001 -0.03130 134 2S -0.02959 0.00987 -0.02916 0.00003 -0.04568 135 3S -0.01945 0.01503 -0.02655 0.00004 -0.02250 136 4PX -0.00246 -0.00183 -0.00225 0.00000 -0.00321 137 4PY -0.00310 0.00054 -0.00428 0.00001 -0.00035 138 4PZ 0.00000 0.00000 0.00001 0.00532 -0.00001 139 12 H 1S 0.08218 -0.09548 -0.03992 -0.00001 0.06278 140 2S 0.10506 -0.13678 -0.05719 -0.00003 0.08246 141 3S 0.01309 -0.06398 -0.02676 -0.00003 0.01808 142 4PX 0.01441 -0.00764 -0.00619 0.00000 0.00946 143 4PY 0.00602 -0.00619 0.00458 0.00000 0.00396 144 4PZ 0.00000 0.00000 0.00000 0.00838 0.00000 101 102 103 104 105 101 4PX 0.05496 102 4PY 0.00359 0.04790 103 4PZ -0.00011 0.00002 0.13221 104 5D 0 -0.00010 -0.00004 0.00000 0.00039 105 5D+1 0.00000 0.00000 0.00600 0.00000 0.00057 106 5D-1 -0.00001 -0.00001 0.00250 0.00000 -0.00027 107 5D+2 -0.00295 -0.00589 0.00000 0.00004 0.00000 108 5D-2 -0.00630 0.00196 0.00000 0.00004 0.00000 109 7 H 1S -0.00736 0.00709 -0.00001 -0.00005 0.00000 110 2S -0.01027 0.01283 0.00000 0.00000 0.00000 111 3S -0.00410 0.01481 0.00001 0.00028 0.00000 112 4PX -0.00262 0.00128 0.00000 0.00007 0.00000 113 4PY -0.00061 -0.00124 0.00000 -0.00009 0.00000 114 4PZ 0.00000 0.00000 0.00468 0.00000 0.00048 115 8 H 1S 0.01418 -0.01097 0.00000 0.00041 0.00000 116 2S 0.02328 -0.01619 -0.00002 0.00054 0.00000 117 3S 0.01700 -0.01093 -0.00003 0.00013 0.00000 118 4PX 0.00009 0.00038 0.00000 -0.00006 0.00000 119 4PY 0.00081 -0.00021 0.00000 0.00004 0.00000 120 4PZ 0.00000 0.00000 -0.00132 0.00000 0.00030 121 9 H 1S -0.00344 -0.00143 0.00001 0.00031 0.00000 122 2S -0.00450 -0.00187 0.00002 0.00041 0.00000 123 3S -0.00508 -0.00212 0.00004 0.00020 0.00000 124 4PX -0.00027 0.00016 0.00000 -0.00003 0.00000 125 4PY 0.00016 -0.00058 0.00000 -0.00001 0.00000 126 4PZ 0.00001 0.00000 -0.00432 0.00000 -0.00001 127 10 H 1S 0.00216 0.01779 -0.00002 0.00041 0.00000 128 2S 0.00484 0.02794 -0.00005 0.00054 0.00000 129 3S 0.00416 0.01978 -0.00004 0.00013 0.00000 130 4PX 0.00053 0.00037 0.00000 -0.00002 0.00000 131 4PY -0.00006 -0.00065 0.00000 -0.00007 0.00000 132 4PZ 0.00000 0.00000 -0.00132 0.00000 -0.00013 133 11 H 1S -0.00013 -0.01022 0.00001 -0.00005 0.00000 134 2S 0.00191 -0.01633 0.00003 0.00000 0.00001 135 3S 0.00765 -0.01333 0.00003 0.00028 0.00000 136 4PX -0.00158 -0.00162 0.00000 -0.00001 0.00000 137 4PY 0.00025 -0.00228 0.00001 0.00012 0.00000 138 4PZ -0.00001 0.00000 0.00467 0.00000 0.00005 139 12 H 1S -0.05274 -0.02206 -0.00001 -0.00213 0.00000 140 2S -0.07602 -0.03179 -0.00002 -0.00275 0.00000 141 3S -0.03708 -0.01551 -0.00003 -0.00035 0.00000 142 4PX -0.00406 -0.00316 0.00000 -0.00038 0.00000 143 4PY -0.00316 0.00218 0.00000 -0.00016 0.00000 144 4PZ -0.00001 0.00000 0.00767 0.00000 0.00036 106 107 108 109 110 106 5D-1 0.00111 107 5D+2 0.00000 0.00229 108 5D-2 0.00000 0.00031 0.00230 109 7 H 1S 0.00000 -0.00784 -0.00188 0.08060 110 2S -0.00001 -0.01158 -0.00220 0.11344 0.16031 111 3S 0.00000 -0.00657 -0.00004 0.04710 0.06808 112 4PX 0.00000 0.00012 0.00037 0.00117 0.00162 113 4PY 0.00000 -0.00054 -0.00041 0.00916 0.01261 114 4PZ -0.00040 0.00000 0.00000 0.00000 -0.00001 115 8 H 1S 0.00000 -0.00119 0.00012 -0.00682 -0.01114 116 2S 0.00000 -0.00187 -0.00002 -0.01114 -0.01773 117 3S 0.00000 -0.00103 -0.00105 -0.00922 -0.01376 118 4PX 0.00000 -0.00012 -0.00021 0.00027 0.00067 119 4PY 0.00000 -0.00036 0.00000 0.00096 0.00142 120 4PZ -0.00048 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00084 0.00085 -0.00313 -0.00671 122 2S 0.00000 0.00162 0.00164 -0.00670 -0.01269 123 3S 0.00000 0.00198 0.00200 -0.00626 -0.01046 124 4PX 0.00000 0.00008 0.00011 0.00024 0.00056 125 4PY 0.00000 0.00007 0.00001 -0.00037 -0.00055 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00014 -0.00119 0.00124 0.00137 128 2S 0.00000 0.00001 -0.00187 0.00137 0.00163 129 3S 0.00000 -0.00103 -0.00104 0.00313 0.00505 130 4PX 0.00000 -0.00014 -0.00034 0.00002 0.00006 131 4PY 0.00000 -0.00015 0.00017 0.00018 0.00044 132 4PZ 0.00055 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 -0.00177 -0.00786 -0.00313 -0.00671 134 2S -0.00001 -0.00204 -0.01161 -0.00671 -0.01269 135 3S 0.00000 0.00005 -0.00657 -0.00627 -0.01047 136 4PX 0.00000 -0.00003 -0.00030 -0.00032 -0.00068 137 4PY 0.00000 0.00055 0.00047 -0.00030 -0.00039 138 4PZ 0.00063 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00579 0.00586 -0.00682 -0.01114 140 2S 0.00001 0.00871 0.00882 -0.01114 -0.01773 141 3S 0.00000 0.00530 0.00537 -0.00923 -0.01378 142 4PX 0.00000 0.00045 0.00012 -0.00001 -0.00029 143 4PY 0.00000 -0.00028 0.00051 0.00100 0.00155 144 4PZ 0.00015 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 3S 0.03344 112 4PX 0.00055 0.00030 113 4PY 0.00432 0.00012 0.00124 114 4PZ 0.00000 0.00000 0.00000 0.00045 115 8 H 1S -0.00922 -0.00087 0.00049 0.00000 0.08060 116 2S -0.01377 -0.00149 0.00052 0.00000 0.11344 117 3S -0.00864 -0.00138 -0.00020 0.00000 0.04711 118 4PX 0.00111 -0.00014 -0.00014 0.00000 -0.00734 119 4PY 0.00084 -0.00010 0.00009 0.00000 0.00560 120 4PZ 0.00000 0.00000 0.00000 0.00028 -0.00001 121 9 H 1S -0.00626 0.00042 -0.00013 0.00000 -0.00682 122 2S -0.01046 0.00068 -0.00039 0.00000 -0.01115 123 3S -0.00778 0.00072 -0.00036 0.00000 -0.00923 124 4PX 0.00054 0.00003 0.00000 0.00000 -0.00070 125 4PY -0.00059 0.00003 0.00004 0.00000 0.00071 126 4PZ 0.00000 0.00000 0.00000 -0.00006 0.00000 127 10 H 1S 0.00313 -0.00002 -0.00018 0.00000 -0.00313 128 2S 0.00505 -0.00006 -0.00044 0.00000 -0.00671 129 3S 0.00642 -0.00004 -0.00034 0.00000 -0.00627 130 4PX 0.00004 -0.00003 0.00000 0.00000 0.00044 131 4PY 0.00034 0.00000 -0.00002 0.00000 0.00002 132 4PZ 0.00000 0.00000 0.00000 -0.00023 0.00000 133 11 H 1S -0.00627 -0.00044 -0.00002 0.00000 0.00124 134 2S -0.01047 -0.00076 -0.00021 0.00000 0.00137 135 3S -0.00779 -0.00078 -0.00017 0.00000 0.00314 136 4PX -0.00067 0.00002 0.00000 0.00000 -0.00015 137 4PY -0.00044 -0.00002 0.00005 0.00000 0.00011 138 4PZ 0.00000 0.00000 0.00000 -0.00006 0.00000 139 12 H 1S -0.00923 0.00097 0.00025 0.00000 -0.00313 140 2S -0.01377 0.00157 0.00013 0.00000 -0.00671 141 3S -0.00865 0.00129 -0.00054 0.00000 -0.00627 142 4PX -0.00086 -0.00007 0.00018 0.00000 0.00010 143 4PY 0.00110 0.00014 0.00002 0.00000 -0.00043 144 4PZ 0.00000 0.00000 0.00000 0.00028 0.00000 116 117 118 119 120 116 2S 0.16033 117 3S 0.06810 0.03346 118 4PX -0.01011 -0.00347 0.00090 119 4PY 0.00771 0.00264 -0.00047 0.00064 120 4PZ -0.00002 0.00000 0.00000 0.00000 0.00045 121 9 H 1S -0.01114 -0.00923 -0.00086 -0.00051 0.00000 122 2S -0.01773 -0.01378 -0.00120 -0.00102 0.00000 123 3S -0.01378 -0.00865 -0.00052 -0.00129 0.00000 124 4PX -0.00090 -0.00018 0.00014 -0.00006 0.00000 125 4PY 0.00129 0.00138 -0.00002 -0.00019 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00028 127 10 H 1S -0.00671 -0.00627 0.00032 0.00030 0.00000 128 2S -0.01269 -0.01047 0.00068 0.00039 0.00000 129 3S -0.01047 -0.00779 0.00067 0.00044 0.00000 130 4PX 0.00076 0.00078 0.00002 -0.00002 0.00000 131 4PY 0.00021 0.00017 0.00000 0.00005 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00006 133 11 H 1S 0.00137 0.00314 0.00015 -0.00011 0.00000 134 2S 0.00163 0.00506 0.00035 -0.00027 0.00000 135 3S 0.00506 0.00643 0.00028 -0.00021 0.00000 136 4PX -0.00035 -0.00028 -0.00002 0.00000 0.00000 137 4PY 0.00027 0.00021 0.00000 -0.00002 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00023 139 12 H 1S -0.00671 -0.00627 -0.00020 -0.00039 0.00000 140 2S -0.01269 -0.01047 -0.00020 -0.00076 0.00000 141 3S -0.01047 -0.00779 -0.00025 -0.00076 0.00000 142 4PX 0.00000 0.00004 0.00005 0.00001 0.00000 143 4PY -0.00078 -0.00080 -0.00002 0.00002 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00006 121 122 123 124 125 121 9 H 1S 0.08060 122 2S 0.11343 0.16032 123 3S 0.04710 0.06809 0.03344 124 4PX -0.00852 -0.01173 -0.00402 0.00111 125 4PY -0.00356 -0.00491 -0.00168 0.00035 0.00043 126 4PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 127 10 H 1S -0.00682 -0.01113 -0.00922 0.00001 -0.00100 128 2S -0.01114 -0.01772 -0.01376 0.00029 -0.00155 129 3S -0.00922 -0.01375 -0.00863 0.00086 -0.00110 130 4PX -0.00097 -0.00157 -0.00129 -0.00007 0.00014 131 4PY -0.00025 -0.00013 0.00054 0.00018 0.00002 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S -0.00313 -0.00671 -0.00627 -0.00010 0.00043 134 2S -0.00670 -0.01269 -0.01047 0.00000 0.00078 135 3S -0.00627 -0.01047 -0.00779 -0.00005 0.00080 136 4PX 0.00020 0.00020 0.00025 0.00005 -0.00002 137 4PY 0.00039 0.00076 0.00076 0.00001 0.00002 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00124 0.00137 0.00313 0.00017 0.00007 140 2S 0.00137 0.00163 0.00505 0.00041 0.00017 141 3S 0.00313 0.00505 0.00642 0.00032 0.00013 142 4PX -0.00017 -0.00041 -0.00032 -0.00002 0.00000 143 4PY -0.00007 -0.00017 -0.00013 0.00000 -0.00003 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 4PZ 0.00045 127 10 H 1S 0.00000 0.08060 128 2S 0.00000 0.11343 0.16031 129 3S 0.00000 0.04710 0.06808 0.03344 130 4PX 0.00000 -0.00118 -0.00162 -0.00056 0.00030 131 4PY 0.00000 -0.00916 -0.01261 -0.00432 0.00012 132 4PZ 0.00028 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 -0.00682 -0.01114 -0.00923 0.00087 134 2S 0.00000 -0.01114 -0.01773 -0.01378 0.00149 135 3S 0.00000 -0.00923 -0.01377 -0.00865 0.00138 136 4PX 0.00000 -0.00027 -0.00067 -0.00111 -0.00014 137 4PY 0.00000 -0.00097 -0.00142 -0.00084 -0.00010 138 4PZ -0.00006 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 -0.00313 -0.00670 -0.00626 -0.00042 140 2S 0.00000 -0.00671 -0.01269 -0.01046 -0.00068 141 3S 0.00000 -0.00627 -0.01046 -0.00778 -0.00072 142 4PX 0.00000 -0.00024 -0.00056 -0.00054 0.00003 143 4PY 0.00000 0.00037 0.00055 0.00059 0.00003 144 4PZ -0.00023 0.00000 0.00000 0.00000 0.00000 131 132 133 134 135 131 4PY 0.00124 132 4PZ 0.00000 0.00045 133 11 H 1S -0.00049 0.00000 0.08059 134 2S -0.00052 0.00000 0.11343 0.16033 135 3S 0.00020 0.00000 0.04711 0.06811 0.03346 136 4PX -0.00014 0.00000 0.00734 0.01012 0.00347 137 4PY 0.00009 0.00000 -0.00559 -0.00770 -0.00264 138 4PZ 0.00000 0.00028 0.00001 0.00001 0.00001 139 12 H 1S 0.00013 0.00000 -0.00682 -0.01114 -0.00922 140 2S 0.00039 0.00000 -0.01114 -0.01773 -0.01376 141 3S 0.00036 0.00000 -0.00922 -0.01377 -0.00864 142 4PX 0.00000 0.00000 0.00070 0.00090 0.00018 143 4PY 0.00004 0.00000 -0.00071 -0.00129 -0.00138 144 4PZ 0.00000 -0.00006 0.00000 0.00000 0.00000 136 137 138 139 140 136 4PX 0.00090 137 4PY -0.00047 0.00064 138 4PZ 0.00000 0.00000 0.00045 139 12 H 1S 0.00086 0.00051 0.00000 0.08060 140 2S 0.00119 0.00103 0.00000 0.11344 0.16032 141 3S 0.00052 0.00129 0.00000 0.04710 0.06809 142 4PX 0.00014 -0.00006 0.00000 0.00852 0.01173 143 4PY -0.00002 -0.00019 0.00000 0.00356 0.00491 144 4PZ 0.00000 0.00000 0.00028 0.00000 0.00000 141 142 143 144 141 3S 0.03344 142 4PX 0.00402 0.00111 143 4PY 0.00168 0.00035 0.00043 144 4PZ 0.00000 0.00000 0.00000 0.00045 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 0.65853 2 2S 0.49202 0.48917 3 2PX 0.00000 0.00000 0.09087 4 2PY 0.00000 0.00000 0.00000 0.08805 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.06857 6 3S -0.02684 -0.05961 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.08023 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07768 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.06551 10 4S -0.01194 -0.02032 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 0.01378 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 0.01508 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.02083 14 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 15 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 16 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 17 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 18 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 19 2 C 1S 0.00000 0.00000 -0.00004 -0.00001 0.00000 20 2S 0.00000 0.00000 -0.00003 -0.00001 0.00000 21 2PX -0.00004 -0.00003 0.00193 0.00039 0.00000 22 2PY -0.00001 -0.00001 0.00043 0.00002 0.00000 23 2PZ 0.00000 0.00000 0.00000 0.00000 0.00019 24 3S -0.00040 -0.00065 0.00645 0.00111 0.00000 25 3PX -0.00154 -0.00267 0.01316 0.00312 0.00000 26 3PY -0.00028 -0.00047 0.00332 -0.00012 0.00000 27 3PZ 0.00000 0.00000 0.00000 0.00000 0.00327 28 4S 0.00056 0.00055 0.00369 0.00098 0.00000 29 4PX -0.00031 -0.00112 0.00249 0.00083 0.00000 30 4PY -0.00036 -0.00054 0.00089 -0.00014 0.00000 31 4PZ 0.00000 0.00000 0.00000 0.00000 0.00514 32 5D 0 -0.00006 -0.00009 0.00019 0.00004 0.00000 33 5D+1 0.00000 0.00000 0.00000 0.00000 0.00064 34 5D-1 0.00000 0.00000 0.00000 0.00000 0.00011 35 5D+2 -0.00016 -0.00025 0.00023 0.00104 0.00000 36 5D-2 -0.00015 -0.00024 0.00119 0.00003 0.00000 37 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 38 2S 0.00000 0.00000 0.00000 0.00000 0.00000 39 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 40 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 41 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 42 3S 0.00000 0.00000 -0.00001 -0.00001 0.00000 43 3PX 0.00000 0.00000 -0.00001 -0.00001 0.00000 44 3PY 0.00000 0.00000 -0.00003 -0.00002 0.00000 45 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4S -0.00007 -0.00006 -0.00016 -0.00048 0.00000 47 4PX -0.00002 0.00001 -0.00014 -0.00008 0.00000 48 4PY 0.00004 0.00011 -0.00042 -0.00064 0.00000 49 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00017 50 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 51 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 5D-2 0.00000 0.00000 0.00001 0.00001 0.00000 55 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 56 2S 0.00000 0.00000 0.00000 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S 0.00000 0.00000 0.00000 0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S 0.00004 0.00005 0.00000 -0.00014 0.00000 65 4PX 0.00000 0.00000 -0.00005 -0.00001 0.00000 66 4PY 0.00008 0.00010 -0.00001 -0.00002 0.00000 67 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00026 68 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 69 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 70 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 71 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 72 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 73 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00000 0.00000 75 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 79 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 3PY 0.00000 0.00000 -0.00002 -0.00004 0.00000 81 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 4S -0.00007 -0.00006 -0.00004 -0.00059 0.00000 83 4PX -0.00002 0.00000 0.00002 0.00002 0.00000 84 4PY 0.00004 0.00013 -0.00023 -0.00110 0.00000 85 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00017 86 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 5D-2 0.00000 0.00000 0.00000 0.00001 0.00000 91 6 C 1S 0.00000 0.00000 -0.00003 -0.00002 0.00000 92 2S 0.00000 0.00000 -0.00002 -0.00001 0.00000 93 2PX -0.00003 -0.00002 0.00100 0.00072 0.00000 94 2PY -0.00002 -0.00001 0.00078 0.00027 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00019 96 3S -0.00040 -0.00065 0.00481 0.00276 0.00000 97 3PX -0.00114 -0.00198 0.00636 0.00573 0.00000 98 3PY -0.00068 -0.00117 0.00600 0.00140 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00328 100 4S 0.00056 0.00055 0.00257 0.00210 0.00000 101 4PX -0.00008 -0.00065 0.00058 0.00188 0.00000 102 4PY -0.00059 -0.00100 0.00196 -0.00035 0.00000 103 4PZ 0.00000 0.00000 0.00000 0.00000 0.00515 104 5D 0 -0.00006 -0.00009 0.00014 0.00010 0.00000 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00047 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00028 107 5D+2 -0.00003 -0.00004 0.00006 0.00097 0.00000 108 5D-2 -0.00029 -0.00046 0.00123 0.00022 0.00000 109 7 H 1S -0.00022 -0.00031 0.00012 0.00743 0.00000 110 2S -0.00229 -0.00390 0.00030 0.01811 0.00000 111 3S -0.00027 -0.00050 0.00005 0.00325 0.00000 112 4PX -0.00001 -0.00001 0.00041 0.00008 0.00000 113 4PY -0.00053 -0.00080 0.00008 0.00210 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00049 115 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00001 0.00002 -0.00026 0.00000 0.00000 117 3S 0.00014 0.00023 -0.00083 -0.00001 0.00000 118 4PX 0.00000 0.00000 0.00001 0.00000 0.00000 119 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S -0.00001 -0.00001 0.00006 0.00003 0.00000 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 0.00000 0.00000 0.00000 0.00000 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3S -0.00001 -0.00001 0.00004 0.00005 0.00000 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00001 0.00002 -0.00025 -0.00001 0.00000 141 3S 0.00014 0.00023 -0.00084 0.00000 0.00000 142 4PX 0.00000 0.00000 0.00001 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.42718 7 3PX 0.00000 0.17915 8 3PY 0.00000 0.00000 0.17318 9 3PZ 0.00000 0.00000 0.00000 0.15816 10 4S 0.19615 0.00000 0.00000 0.00000 0.17467 11 4PX 0.00000 0.05698 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 0.06265 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.09378 0.00000 14 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 15 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 16 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 17 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 18 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 19 2 C 1S -0.00040 -0.00156 -0.00026 0.00000 0.00056 20 2S -0.00065 -0.00268 -0.00046 0.00000 0.00054 21 2PX 0.00642 0.01329 0.00305 0.00000 0.00427 22 2PY 0.00114 0.00325 -0.00011 0.00000 0.00041 23 2PZ 0.00000 0.00000 0.00000 0.00327 0.00000 24 3S 0.01543 0.03569 0.00616 0.00000 0.00002 25 3PX 0.03555 0.03960 0.01109 0.00000 0.02102 26 3PY 0.00630 0.01139 -0.00137 0.00000 0.00208 27 3PZ 0.00000 0.00000 0.00000 0.01921 0.00000 28 4S 0.00001 0.01830 0.00479 0.00000 -0.02426 29 4PX 0.01872 0.00680 0.00338 0.00000 0.01320 30 4PY 0.00413 0.00349 -0.00070 0.00000 0.00132 31 4PZ 0.00000 0.00000 0.00000 0.02684 0.00000 32 5D 0 0.00065 0.00032 0.00007 0.00000 0.00008 33 5D+1 0.00000 0.00000 0.00000 0.00265 0.00000 34 5D-1 0.00000 0.00000 0.00000 0.00046 0.00000 35 5D+2 0.00186 0.00023 0.00294 0.00000 0.00035 36 5D-2 0.00178 0.00234 0.00067 0.00000 0.00066 37 3 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00007 38 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 39 2PX -0.00001 -0.00001 -0.00001 0.00000 -0.00031 40 2PY -0.00001 -0.00002 -0.00003 0.00000 -0.00033 41 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 42 3S -0.00015 -0.00021 -0.00029 0.00000 0.00000 43 3PX -0.00016 -0.00011 -0.00015 0.00000 -0.00199 44 3PY -0.00035 -0.00047 -0.00040 0.00000 -0.00193 45 3PZ 0.00000 0.00000 0.00000 -0.00004 0.00000 46 4S 0.00000 -0.00089 -0.00303 0.00000 0.00549 47 4PX -0.00119 -0.00056 -0.00047 0.00000 -0.00309 48 4PY -0.00260 -0.00223 -0.00323 0.00000 -0.00381 49 4PZ 0.00000 0.00000 0.00000 -0.00118 0.00000 50 5D 0 0.00000 0.00000 0.00002 0.00000 0.00000 51 5D+1 0.00000 0.00000 0.00000 -0.00001 0.00000 52 5D-1 0.00000 0.00000 0.00000 0.00008 0.00000 53 5D+2 -0.00001 -0.00004 0.00000 0.00000 -0.00004 54 5D-2 0.00013 0.00024 0.00017 0.00000 0.00037 55 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00004 56 2S 0.00000 0.00000 0.00000 0.00000 0.00005 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 0.00000 -0.00014 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S -0.00002 0.00000 -0.00006 0.00000 -0.00084 61 3PX 0.00000 -0.00001 0.00000 0.00000 -0.00002 62 3PY -0.00006 0.00000 -0.00012 0.00000 -0.00102 63 3PZ 0.00000 0.00000 0.00000 -0.00007 0.00000 64 4S -0.00084 -0.00002 -0.00102 0.00000 -0.00484 65 4PX -0.00002 -0.00033 -0.00004 0.00000 -0.00006 66 4PY -0.00100 -0.00004 -0.00009 0.00000 -0.00376 67 4PZ 0.00000 0.00000 0.00000 -0.00212 0.00000 68 5D 0 0.00000 0.00000 0.00001 0.00000 0.00000 69 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 70 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 71 5D+2 -0.00001 0.00000 -0.00002 0.00000 -0.00015 72 5D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 73 5 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00007 74 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 75 2PX 0.00000 0.00000 0.00000 0.00000 -0.00015 76 2PY -0.00002 -0.00001 -0.00005 0.00000 -0.00048 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S -0.00015 -0.00010 -0.00041 0.00000 0.00000 79 3PX -0.00005 -0.00001 -0.00005 0.00000 -0.00099 80 3PY -0.00045 -0.00029 -0.00078 0.00000 -0.00294 81 3PZ 0.00000 0.00000 0.00000 -0.00004 0.00000 82 4S 0.00000 -0.00018 -0.00375 0.00000 0.00548 83 4PX -0.00041 0.00017 0.00014 0.00000 -0.00143 84 4PY -0.00337 -0.00116 -0.00562 0.00000 -0.00546 85 4PZ 0.00000 0.00000 0.00000 -0.00118 0.00000 86 5D 0 0.00000 0.00000 0.00003 0.00000 0.00000 87 5D+1 0.00000 0.00000 0.00000 -0.00002 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00009 0.00000 89 5D+2 0.00003 0.00002 0.00009 0.00000 0.00004 90 5D-2 0.00010 0.00005 0.00019 0.00000 0.00028 91 6 C 1S -0.00040 -0.00116 -0.00066 0.00000 0.00056 92 2S -0.00065 -0.00200 -0.00115 0.00000 0.00055 93 2PX 0.00477 0.00648 0.00570 0.00000 0.00334 94 2PY 0.00280 0.00597 0.00135 0.00000 0.00133 95 2PZ 0.00000 0.00000 0.00000 0.00328 0.00000 96 3S 0.01545 0.02659 0.01529 0.00000 0.00000 97 3PX 0.02641 0.01747 0.02041 0.00000 0.01644 98 3PY 0.01548 0.02083 0.00199 0.00000 0.00665 99 3PZ 0.00000 0.00000 0.00000 0.01925 0.00000 100 4S 0.00001 0.01278 0.01031 0.00000 -0.02430 101 4PX 0.01346 -0.00027 0.00765 0.00000 0.01029 102 4PY 0.00938 0.00781 -0.00224 0.00000 0.00419 103 4PZ 0.00000 0.00000 0.00000 0.02689 0.00000 104 5D 0 0.00065 0.00023 0.00016 0.00000 0.00008 105 5D+1 0.00000 0.00000 0.00000 0.00197 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00114 0.00000 107 5D+2 0.00029 0.00063 0.00307 0.00000 0.00000 108 5D-2 0.00335 0.00222 0.00026 0.00000 0.00102 109 7 H 1S 0.01498 0.00063 0.03861 0.00000 0.01656 110 2S 0.04404 0.00117 0.07113 0.00000 0.04744 111 3S 0.00602 0.00026 0.01589 0.00000 0.01363 112 4PX 0.00010 0.00175 0.00019 0.00000 0.00004 113 4PY 0.00588 0.00019 0.00395 0.00000 0.00221 114 4PZ 0.00000 0.00000 0.00000 0.00222 0.00000 115 8 H 1S -0.00005 -0.00018 0.00000 0.00000 -0.00164 116 2S -0.00110 -0.00262 -0.00001 0.00000 -0.00752 117 3S -0.00312 -0.00473 -0.00007 0.00000 -0.00802 118 4PX 0.00005 0.00022 0.00000 0.00000 -0.00005 119 4PY 0.00000 -0.00001 -0.00002 0.00000 -0.00002 120 4PZ 0.00000 0.00000 0.00000 0.00004 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 122 2S 0.00001 0.00001 0.00001 0.00000 0.00047 123 3S 0.00027 0.00042 0.00022 0.00000 0.00140 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00001 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00002 129 3S -0.00001 0.00000 -0.00002 0.00000 -0.00002 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 134 2S 0.00001 0.00001 0.00001 0.00000 0.00047 135 3S 0.00027 0.00025 0.00039 0.00000 0.00140 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00001 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S -0.00005 -0.00017 -0.00001 0.00000 -0.00164 140 2S -0.00110 -0.00253 -0.00010 0.00000 -0.00752 141 3S -0.00312 -0.00479 -0.00001 0.00000 -0.00801 142 4PX 0.00003 0.00017 0.00000 0.00000 -0.00012 143 4PY 0.00001 0.00004 -0.00001 0.00000 0.00005 144 4PZ 0.00000 0.00000 0.00000 0.00004 0.00000 11 12 13 14 15 11 4PX 0.04656 12 4PY 0.00000 0.05630 13 4PZ 0.00000 0.00000 0.13224 14 5D 0 0.00000 0.00000 0.00000 0.00039 15 5D+1 0.00000 0.00000 0.00000 0.00000 0.00121 16 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 17 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 18 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 19 2 C 1S -0.00083 0.00016 0.00000 -0.00006 0.00000 20 2S -0.00170 0.00004 0.00000 -0.00009 0.00000 21 2PX 0.00203 0.00135 0.00000 0.00020 0.00000 22 2PY 0.00140 -0.00071 0.00000 0.00003 0.00000 23 2PZ 0.00000 0.00000 0.00514 0.00000 0.00064 24 3S 0.02018 0.00267 0.00000 0.00065 0.00000 25 3PX 0.00551 0.00555 0.00000 0.00035 0.00000 26 3PY 0.00566 -0.00375 0.00000 0.00004 0.00000 27 3PZ 0.00000 0.00000 0.02684 0.00000 0.00264 28 4S 0.01152 0.00300 0.00000 0.00008 0.00000 29 4PX -0.00285 0.00291 0.00000 -0.00002 0.00000 30 4PY 0.00312 -0.00344 0.00000 0.00000 0.00000 31 4PZ 0.00000 0.00000 0.04769 0.00000 0.00180 32 5D 0 -0.00002 0.00000 0.00000 0.00003 0.00000 33 5D+1 0.00000 0.00000 0.00169 0.00000 -0.00001 34 5D-1 0.00000 0.00000 0.00036 0.00000 -0.00012 35 5D+2 -0.00018 0.00086 0.00000 0.00000 0.00000 36 5D-2 0.00017 0.00041 0.00000 0.00000 0.00000 37 3 C 1S 0.00004 -0.00001 0.00000 0.00000 0.00000 38 2S 0.00008 0.00005 0.00000 0.00000 0.00000 39 2PX -0.00021 -0.00013 0.00000 0.00000 0.00000 40 2PY -0.00047 -0.00049 0.00000 0.00000 0.00000 41 2PZ 0.00000 0.00000 -0.00017 0.00000 0.00000 42 3S -0.00160 -0.00219 0.00000 0.00000 0.00000 43 3PX -0.00092 -0.00078 0.00000 0.00002 0.00000 44 3PY -0.00254 -0.00223 0.00000 0.00001 0.00000 45 3PZ 0.00000 0.00000 -0.00118 0.00000 0.00007 46 4S -0.00198 -0.00491 0.00000 0.00000 0.00000 47 4PX -0.00043 -0.00078 0.00000 0.00001 0.00000 48 4PY -0.00382 -0.00421 0.00000 0.00000 0.00000 49 4PZ 0.00000 0.00000 -0.00591 0.00000 0.00038 50 5D 0 0.00000 0.00001 0.00000 0.00000 0.00000 51 5D+1 0.00000 0.00000 -0.00010 0.00000 0.00000 52 5D-1 0.00000 0.00000 0.00048 0.00000 0.00001 53 5D+2 -0.00019 0.00001 0.00000 0.00000 0.00000 54 5D-2 0.00021 0.00022 0.00000 0.00000 0.00000 55 4 C 1S 0.00000 0.00008 0.00000 0.00000 0.00000 56 2S 0.00000 0.00010 0.00000 0.00000 0.00000 57 2PX -0.00005 -0.00001 0.00000 0.00000 0.00000 58 2PY -0.00001 -0.00002 0.00000 0.00000 0.00000 59 2PZ 0.00000 0.00000 -0.00026 0.00000 0.00000 60 3S -0.00002 -0.00099 0.00000 0.00000 0.00000 61 3PX -0.00033 -0.00004 0.00000 0.00000 0.00000 62 3PY -0.00004 -0.00009 0.00000 0.00001 0.00000 63 3PZ 0.00000 0.00000 -0.00212 0.00000 0.00000 64 4S -0.00006 -0.00376 0.00000 0.00000 0.00000 65 4PX -0.00118 -0.00006 0.00000 0.00000 0.00000 66 4PY -0.00006 0.00105 0.00000 0.00002 0.00000 67 4PZ 0.00000 0.00000 -0.01058 0.00000 0.00000 68 5D 0 0.00000 0.00002 0.00000 0.00000 0.00000 69 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 70 5D-1 0.00000 0.00000 -0.00002 0.00000 0.00000 71 5D+2 -0.00002 -0.00020 0.00000 0.00000 0.00000 72 5D-2 -0.00007 -0.00002 0.00000 0.00000 0.00000 73 5 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 74 2S 0.00004 0.00008 0.00000 0.00000 0.00000 75 2PX 0.00003 -0.00007 0.00000 0.00000 0.00000 76 2PY -0.00032 -0.00093 0.00000 0.00000 0.00000 77 2PZ 0.00000 0.00000 -0.00017 0.00000 0.00000 78 3S -0.00071 -0.00307 0.00000 0.00000 0.00000 79 3PX 0.00028 -0.00048 0.00000 0.00001 0.00000 80 3PY -0.00178 -0.00450 0.00000 0.00002 0.00000 81 3PZ 0.00000 0.00000 -0.00118 0.00000 0.00004 82 4S -0.00062 -0.00628 0.00000 0.00000 0.00000 83 4PX 0.00165 -0.00013 0.00000 0.00001 0.00000 84 4PY -0.00238 -0.00838 0.00000 0.00001 0.00000 85 4PZ 0.00000 0.00000 -0.00591 0.00000 0.00023 86 5D 0 0.00000 0.00001 0.00000 0.00000 0.00000 87 5D+1 0.00000 0.00000 -0.00012 0.00000 0.00000 88 5D-1 0.00000 0.00000 0.00050 0.00000 0.00000 89 5D+2 -0.00002 0.00002 0.00000 0.00000 0.00000 90 5D-2 -0.00008 0.00033 0.00000 0.00000 0.00000 91 6 C 1S -0.00077 0.00010 0.00000 -0.00006 0.00000 92 2S -0.00144 -0.00021 0.00000 -0.00009 0.00000 93 2PX 0.00040 0.00215 0.00000 0.00016 0.00000 94 2PY 0.00222 -0.00069 0.00000 0.00008 0.00000 95 2PZ 0.00000 0.00000 0.00515 0.00000 0.00047 96 3S 0.01545 0.00740 0.00000 0.00065 0.00000 97 3PX -0.00018 0.00876 0.00000 0.00027 0.00000 98 3PY 0.00892 -0.00455 0.00000 0.00012 0.00000 99 3PZ 0.00000 0.00000 0.02689 0.00000 0.00197 100 4S 0.00804 0.00645 0.00000 0.00008 0.00000 101 4PX -0.00556 0.00538 0.00000 -0.00001 0.00000 102 4PY 0.00567 -0.00578 0.00000 -0.00001 0.00000 103 4PZ 0.00000 0.00000 0.04778 0.00000 0.00137 104 5D 0 -0.00001 -0.00001 0.00000 0.00003 0.00000 105 5D+1 0.00000 0.00000 0.00122 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00083 0.00000 -0.00017 107 5D+2 0.00033 0.00106 0.00000 0.00000 0.00000 108 5D-2 0.00003 -0.00015 0.00000 0.00001 0.00000 109 7 H 1S 0.00035 0.02105 0.00000 0.00043 0.00000 110 2S 0.00084 0.05111 0.00000 0.00037 0.00000 111 3S 0.00032 0.01955 0.00000 0.00001 0.00000 112 4PX 0.00091 0.00004 0.00000 0.00000 0.00000 113 4PY 0.00004 0.00005 0.00000 0.00005 0.00000 114 4PZ 0.00000 0.00000 0.00212 0.00000 0.00000 115 8 H 1S -0.00143 0.00002 0.00000 0.00000 0.00000 116 2S -0.00577 0.00005 0.00000 0.00000 0.00000 117 3S -0.00684 -0.00010 0.00000 -0.00001 0.00000 118 4PX 0.00035 0.00000 0.00000 0.00000 0.00000 119 4PY -0.00003 -0.00012 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00028 0.00000 0.00001 121 9 H 1S 0.00011 0.00004 0.00000 0.00000 0.00000 122 2S 0.00086 0.00038 0.00000 0.00000 0.00000 123 3S 0.00212 0.00103 0.00000 0.00000 0.00000 124 4PX 0.00001 0.00001 0.00000 0.00000 0.00000 125 4PY 0.00000 -0.00001 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 128 2S 0.00000 -0.00007 0.00000 0.00000 0.00000 129 3S -0.00001 -0.00047 0.00000 0.00000 0.00000 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00007 0.00008 0.00000 0.00000 0.00000 134 2S 0.00053 0.00071 0.00000 0.00000 0.00000 135 3S 0.00129 0.00186 0.00000 0.00000 0.00000 136 4PX 0.00000 0.00001 0.00000 0.00000 0.00000 137 4PY 0.00000 -0.00001 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S -0.00126 -0.00015 0.00000 0.00000 0.00000 140 2S -0.00527 -0.00045 0.00000 0.00000 0.00000 141 3S -0.00694 0.00000 0.00000 -0.00001 0.00000 142 4PX 0.00027 -0.00001 0.00000 0.00000 0.00000 143 4PY 0.00007 -0.00012 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00028 0.00000 0.00001 16 17 18 19 20 16 5D-1 0.00047 17 5D+2 0.00000 0.00257 18 5D-2 0.00000 0.00000 0.00202 19 2 C 1S 0.00000 -0.00015 -0.00017 0.65853 20 2S 0.00000 -0.00024 -0.00026 0.49202 0.48917 21 2PX 0.00000 0.00020 0.00124 0.00000 0.00000 22 2PY 0.00000 0.00101 0.00003 0.00000 0.00000 23 2PZ 0.00011 0.00000 0.00000 0.00000 0.00000 24 3S 0.00000 0.00173 0.00191 -0.02684 -0.05961 25 3PX 0.00000 0.00021 0.00246 0.00000 0.00000 26 3PY 0.00000 0.00282 0.00069 0.00000 0.00000 27 3PZ 0.00046 0.00000 0.00000 0.00000 0.00000 28 4S 0.00000 0.00064 0.00037 -0.01194 -0.02032 29 4PX 0.00000 -0.00014 0.00020 0.00000 0.00000 30 4PY 0.00000 0.00075 0.00045 0.00000 0.00000 31 4PZ 0.00025 0.00000 0.00000 0.00000 0.00000 32 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 33 5D+1 0.00009 0.00000 0.00000 0.00000 0.00000 34 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 35 5D+2 0.00000 -0.00015 -0.00022 0.00000 0.00000 36 5D-2 0.00000 -0.00021 -0.00014 0.00000 0.00000 37 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 38 2S 0.00000 0.00000 0.00000 0.00000 0.00000 39 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 40 2PY 0.00000 0.00000 0.00001 -0.00005 -0.00003 41 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 42 3S 0.00000 0.00003 0.00010 -0.00040 -0.00065 43 3PX 0.00000 -0.00001 0.00006 -0.00003 -0.00005 44 3PY 0.00000 0.00003 0.00028 -0.00180 -0.00310 45 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 46 4S 0.00000 0.00008 0.00025 0.00056 0.00055 47 4PX 0.00000 0.00004 0.00005 0.00008 0.00008 48 4PY 0.00000 -0.00010 0.00026 -0.00075 -0.00173 49 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 5D 0 0.00000 0.00000 0.00000 -0.00006 -0.00009 51 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 5D+2 0.00000 -0.00001 0.00001 -0.00030 -0.00046 54 5D-2 0.00000 0.00000 0.00004 -0.00002 -0.00004 55 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 56 2S 0.00000 0.00000 0.00000 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 -0.00002 0.00000 0.00000 0.00000 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S 0.00000 -0.00015 -0.00001 -0.00007 -0.00006 65 4PX 0.00000 -0.00002 -0.00007 0.00002 0.00004 66 4PY 0.00000 -0.00020 -0.00002 0.00000 0.00008 67 4PZ -0.00002 0.00000 0.00000 0.00000 0.00000 68 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 69 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 70 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 71 5D+2 0.00000 0.00001 0.00000 0.00000 0.00000 72 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 73 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00000 0.00000 75 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S 0.00000 0.00010 0.00003 0.00000 0.00000 79 3PX 0.00000 -0.00003 0.00001 0.00000 0.00000 80 3PY 0.00000 0.00027 0.00012 0.00000 0.00000 81 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 82 4S 0.00000 0.00028 0.00005 0.00004 0.00005 83 4PX 0.00000 -0.00003 -0.00001 0.00005 0.00006 84 4PY 0.00000 0.00028 0.00002 0.00003 0.00004 85 4PZ 0.00014 0.00000 0.00000 0.00000 0.00000 86 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 5D-1 0.00001 0.00000 0.00000 0.00000 0.00000 89 5D+2 0.00000 0.00001 0.00002 0.00000 0.00000 90 5D-2 0.00000 0.00001 0.00001 0.00000 0.00000 91 6 C 1S 0.00000 -0.00002 -0.00030 0.00000 0.00000 92 2S 0.00000 -0.00003 -0.00047 0.00000 0.00000 93 2PX 0.00000 0.00006 0.00127 0.00000 0.00000 94 2PY 0.00000 0.00094 0.00021 0.00000 0.00000 95 2PZ 0.00027 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 0.00022 0.00341 0.00000 0.00000 97 3PX 0.00000 0.00066 0.00232 0.00000 0.00000 98 3PY 0.00000 0.00297 0.00023 0.00000 0.00000 99 3PZ 0.00115 0.00000 0.00000 0.00000 0.00000 100 4S 0.00000 0.00015 0.00087 -0.00007 -0.00006 101 4PX 0.00000 0.00042 0.00003 0.00002 0.00012 102 4PY 0.00000 0.00093 -0.00012 0.00001 0.00001 103 4PZ 0.00068 0.00000 0.00000 0.00000 0.00000 104 5D 0 0.00000 0.00000 0.00001 0.00000 0.00000 105 5D+1 0.00012 0.00000 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 0.00000 -0.00067 -0.00006 0.00000 0.00000 108 5D-2 0.00000 -0.00005 0.00007 0.00000 0.00000 109 7 H 1S 0.00000 0.00271 0.00018 0.00000 0.00000 110 2S 0.00000 0.00269 0.00018 0.00001 0.00002 111 3S 0.00000 0.00030 0.00002 0.00014 0.00023 112 4PX 0.00000 -0.00001 -0.00023 0.00000 0.00000 113 4PY 0.00000 0.00008 0.00000 0.00000 0.00000 114 4PZ -0.00016 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 0.00004 0.00001 -0.00022 -0.00031 116 2S 0.00000 0.00048 0.00007 -0.00228 -0.00390 117 3S 0.00000 0.00018 0.00004 -0.00027 -0.00050 118 4PX 0.00000 0.00004 0.00000 -0.00034 -0.00051 119 4PY 0.00000 0.00000 0.00000 -0.00020 -0.00030 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00001 0.00002 123 3S 0.00000 0.00000 -0.00001 0.00014 0.00023 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 0.00002 0.00000 -0.00001 -0.00001 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3S 0.00000 -0.00001 0.00001 0.00000 0.00000 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00006 -0.00001 0.00000 0.00000 140 2S 0.00000 0.00064 -0.00010 0.00000 0.00000 141 3S 0.00000 0.00029 -0.00007 -0.00001 -0.00001 142 4PX 0.00000 0.00004 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2PX 0.08906 22 2PY 0.00000 0.08987 23 2PZ 0.00000 0.00000 0.06857 24 3S 0.00000 0.00000 0.00000 0.42720 25 3PX 0.07860 0.00000 0.00000 0.00000 0.17535 26 3PY 0.00000 0.07931 0.00000 0.00000 0.00000 27 3PZ 0.00000 0.00000 0.06552 0.00000 0.00000 28 4S 0.00000 0.00000 0.00000 0.19613 0.00000 29 4PX 0.01461 0.00000 0.00000 0.00000 0.06059 30 4PY 0.00000 0.01425 0.00000 0.00000 0.00000 31 4PZ 0.00000 0.00000 0.02082 0.00000 0.00000 32 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 33 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 34 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 35 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 36 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 37 3 C 1S 0.00000 -0.00005 0.00000 -0.00040 -0.00003 38 2S 0.00000 -0.00003 0.00000 -0.00065 -0.00005 39 2PX 0.00001 0.00004 0.00000 0.00012 0.00014 40 2PY 0.00006 0.00266 0.00000 0.00746 0.00045 41 2PZ 0.00000 0.00000 0.00019 0.00000 0.00000 42 3S 0.00013 0.00745 0.00000 0.01546 0.00070 43 3PX 0.00016 0.00035 0.00000 0.00065 0.00072 44 3PY 0.00042 0.01858 0.00000 0.04125 0.00147 45 3PZ 0.00000 0.00000 0.00328 0.00000 0.00000 46 4S -0.00003 0.00470 0.00000 0.00001 -0.00011 47 4PX -0.00009 0.00026 0.00000 0.00011 -0.00055 48 4PY 0.00028 0.00363 0.00000 0.02274 0.00112 49 4PZ 0.00000 0.00000 0.00515 0.00000 0.00000 50 5D 0 0.00000 0.00023 0.00000 0.00065 0.00000 51 5D+1 0.00000 0.00000 0.00001 0.00000 0.00000 52 5D-1 0.00000 0.00000 0.00074 0.00000 0.00000 53 5D+2 0.00016 0.00130 0.00000 0.00338 0.00043 54 5D-2 0.00082 0.00021 0.00000 0.00026 0.00329 55 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 56 2S 0.00000 0.00000 0.00000 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S 0.00000 -0.00002 0.00000 -0.00015 -0.00005 61 3PX 0.00000 -0.00001 0.00000 -0.00010 -0.00001 62 3PY 0.00000 -0.00005 0.00000 -0.00041 -0.00005 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S -0.00015 -0.00048 0.00000 0.00000 -0.00099 65 4PX 0.00003 -0.00032 0.00000 -0.00072 0.00028 66 4PY -0.00007 -0.00092 0.00000 -0.00307 -0.00048 67 4PZ 0.00000 0.00000 -0.00017 0.00000 0.00000 68 5D 0 0.00000 0.00000 0.00000 0.00000 0.00001 69 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 70 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 71 5D+2 0.00000 0.00001 0.00000 0.00009 -0.00003 72 5D-2 0.00000 0.00000 0.00000 0.00003 0.00001 73 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00000 0.00000 75 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S 0.00000 0.00000 0.00000 -0.00002 -0.00004 79 3PX 0.00000 0.00000 0.00000 -0.00004 -0.00002 80 3PY 0.00000 0.00000 0.00000 -0.00002 -0.00006 81 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 4S -0.00009 -0.00005 0.00000 -0.00084 -0.00065 83 4PX 0.00006 -0.00010 0.00000 -0.00064 0.00036 84 4PY -0.00010 0.00006 0.00000 -0.00037 -0.00058 85 4PZ 0.00000 0.00000 -0.00026 0.00000 0.00000 86 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 5D-2 0.00000 0.00000 0.00000 -0.00001 -0.00001 91 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 -0.00002 -0.00006 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.00002 0.00000 0.00000 -0.00015 -0.00050 97 3PX -0.00006 0.00000 0.00000 -0.00049 -0.00108 98 3PY 0.00000 0.00000 0.00000 -0.00002 -0.00006 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4S -0.00060 -0.00003 0.00000 0.00000 -0.00372 101 4PX -0.00130 0.00000 0.00000 -0.00367 -0.00654 102 4PY -0.00009 0.00009 0.00000 -0.00011 -0.00048 103 4PZ 0.00000 0.00000 -0.00017 0.00000 0.00000 104 5D 0 0.00000 0.00000 0.00000 0.00000 0.00002 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 0.00002 0.00000 0.00000 0.00013 0.00043 108 5D-2 0.00000 0.00000 0.00000 -0.00001 -0.00002 109 7 H 1S 0.00000 0.00000 0.00000 -0.00005 -0.00009 110 2S -0.00012 -0.00015 0.00000 -0.00110 -0.00114 111 3S -0.00029 -0.00056 0.00000 -0.00312 -0.00163 112 4PX 0.00000 0.00000 0.00000 0.00005 0.00010 113 4PY 0.00000 0.00000 0.00000 -0.00001 -0.00003 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00478 0.00278 0.00000 0.01498 0.02482 116 2S 0.01164 0.00676 0.00000 0.04402 0.04573 117 3S 0.00209 0.00122 0.00000 0.00601 0.01022 118 4PX 0.00043 0.00113 0.00000 0.00378 0.00061 119 4PY 0.00113 -0.00003 0.00000 0.00220 0.00272 120 4PZ 0.00000 0.00000 0.00049 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 -0.00005 -0.00005 122 2S -0.00008 -0.00019 0.00000 -0.00110 -0.00080 123 3S -0.00033 -0.00051 0.00000 -0.00312 -0.00187 124 4PX 0.00000 0.00000 0.00000 -0.00002 0.00002 125 4PY 0.00000 0.00001 0.00000 0.00006 0.00004 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00001 0.00000 129 3S 0.00000 0.00009 0.00000 0.00027 0.00000 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3S 0.00000 0.00000 0.00000 -0.00001 -0.00001 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00001 0.00002 141 3S 0.00009 0.00000 0.00000 0.00027 0.00063 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 3PY 0.17697 27 3PZ 0.00000 0.15816 28 4S 0.00000 0.00000 0.17464 29 4PX 0.00000 0.00000 0.00000 0.05277 30 4PY 0.05901 0.00000 0.00000 0.00000 0.05007 31 4PZ 0.00000 0.09377 0.00000 0.00000 0.00000 32 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 33 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 34 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 35 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 36 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 37 3 C 1S -0.00179 0.00000 0.00056 -0.00010 -0.00057 38 2S -0.00310 0.00000 0.00055 -0.00013 -0.00152 39 2PX 0.00038 0.00000 0.00018 0.00018 0.00001 40 2PY 0.01852 0.00000 0.00450 0.00003 0.00386 41 2PZ 0.00000 0.00328 0.00000 0.00000 0.00000 42 3S 0.04119 0.00000 0.00000 0.00063 0.02221 43 3PX 0.00136 0.00000 0.00085 0.00082 0.00002 44 3PY 0.05716 0.00000 0.02224 0.00006 0.01204 45 3PZ 0.00000 0.01926 0.00000 0.00000 0.00000 46 4S 0.02319 0.00000 -0.02431 -0.00006 0.01454 47 4PX 0.00108 0.00000 0.00053 -0.00093 0.00034 48 4PY 0.01130 0.00000 0.01396 0.00042 -0.00012 49 4PZ 0.00000 0.02690 0.00000 0.00000 0.00000 50 5D 0 0.00039 0.00000 0.00008 0.00000 -0.00002 51 5D+1 0.00000 0.00005 0.00000 0.00000 0.00000 52 5D-1 0.00000 0.00306 0.00000 0.00000 0.00000 53 5D+2 0.00204 0.00000 0.00102 0.00010 -0.00024 54 5D-2 0.00042 0.00000 -0.00001 0.00135 0.00005 55 4 C 1S 0.00000 0.00000 -0.00007 -0.00002 0.00004 56 2S 0.00000 0.00000 -0.00006 0.00000 0.00013 57 2PX -0.00002 0.00000 -0.00004 0.00002 -0.00023 58 2PY -0.00004 0.00000 -0.00059 0.00002 -0.00110 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S -0.00045 0.00000 0.00000 -0.00041 -0.00337 61 3PX -0.00029 0.00000 -0.00018 0.00017 -0.00116 62 3PY -0.00078 0.00000 -0.00375 0.00014 -0.00562 63 3PZ 0.00000 -0.00004 0.00000 0.00000 0.00000 64 4S -0.00293 0.00000 0.00548 -0.00144 -0.00546 65 4PX -0.00178 0.00000 -0.00062 0.00164 -0.00238 66 4PY -0.00450 0.00000 -0.00628 -0.00013 -0.00837 67 4PZ 0.00000 -0.00118 0.00000 0.00000 0.00000 68 5D 0 0.00002 0.00000 0.00000 0.00001 0.00001 69 5D+1 0.00000 0.00004 0.00000 0.00000 0.00000 70 5D-1 0.00000 0.00003 0.00000 0.00000 0.00000 71 5D+2 0.00027 0.00000 0.00028 -0.00003 0.00028 72 5D-2 0.00011 0.00000 0.00005 -0.00001 0.00002 73 5 C 1S 0.00000 0.00000 0.00004 0.00005 0.00003 74 2S 0.00000 0.00000 0.00005 0.00006 0.00004 75 2PX 0.00000 0.00000 -0.00009 0.00006 -0.00010 76 2PY 0.00000 0.00000 -0.00005 -0.00010 0.00006 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S -0.00002 0.00000 -0.00084 -0.00064 -0.00037 79 3PX -0.00006 0.00000 -0.00065 0.00036 -0.00058 80 3PY 0.00001 0.00000 -0.00038 -0.00058 0.00030 81 3PZ 0.00000 -0.00007 0.00000 0.00000 0.00000 82 4S -0.00038 0.00000 -0.00484 -0.00242 -0.00140 83 4PX -0.00058 0.00000 -0.00242 0.00107 -0.00089 84 4PY 0.00030 0.00000 -0.00140 -0.00089 0.00045 85 4PZ 0.00000 -0.00211 0.00000 0.00000 0.00000 86 5D 0 0.00000 0.00000 0.00000 0.00001 0.00001 87 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 5D+2 0.00000 0.00000 -0.00001 0.00000 -0.00009 90 5D-2 -0.00001 0.00000 -0.00015 -0.00017 -0.00004 91 6 C 1S 0.00000 0.00000 -0.00007 0.00003 -0.00001 92 2S 0.00000 0.00000 -0.00006 0.00013 -0.00001 93 2PX 0.00000 0.00000 -0.00064 -0.00137 0.00005 94 2PY 0.00000 0.00000 0.00001 -0.00004 0.00008 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 0.00000 -0.00378 -0.00001 97 3PX 0.00002 0.00000 -0.00400 -0.00701 0.00028 98 3PY -0.00001 0.00000 0.00008 -0.00018 0.00044 99 3PZ 0.00000 -0.00004 0.00000 0.00000 0.00000 100 4S -0.00021 0.00000 0.00548 -0.00664 -0.00026 101 4PX -0.00002 0.00000 -0.00693 -0.01137 0.00024 102 4PY 0.00057 0.00000 0.00003 -0.00056 0.00244 103 4PZ 0.00000 -0.00118 0.00000 0.00000 0.00000 104 5D 0 0.00000 0.00000 0.00000 0.00001 0.00000 105 5D+1 0.00000 0.00006 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00001 0.00000 0.00000 0.00000 107 5D+2 -0.00003 0.00000 0.00037 0.00047 -0.00004 108 5D-2 -0.00002 0.00000 -0.00004 -0.00009 -0.00009 109 7 H 1S -0.00009 0.00000 -0.00164 -0.00086 -0.00055 110 2S -0.00149 0.00000 -0.00752 -0.00309 -0.00262 111 3S -0.00316 0.00000 -0.00802 -0.00234 -0.00460 112 4PX 0.00007 0.00000 0.00012 0.00013 0.00011 113 4PY 0.00005 0.00000 -0.00019 -0.00012 0.00009 114 4PZ 0.00000 0.00004 0.00000 0.00000 0.00000 115 8 H 1S 0.01442 0.00000 0.01656 0.01353 0.00786 116 2S 0.02658 0.00000 0.04743 0.03286 0.01909 117 3S 0.00594 0.00000 0.01363 0.01258 0.00730 118 4PX 0.00272 0.00000 0.00142 -0.00020 0.00060 119 4PY 0.00001 0.00000 0.00083 0.00060 0.00004 120 4PZ 0.00000 0.00222 0.00000 0.00000 0.00000 121 9 H 1S -0.00013 0.00000 -0.00163 -0.00020 -0.00121 122 2S -0.00184 0.00000 -0.00752 -0.00117 -0.00454 123 3S -0.00292 0.00000 -0.00801 -0.00273 -0.00421 124 4PX -0.00005 0.00000 -0.00016 0.00002 -0.00016 125 4PY 0.00018 0.00000 0.00009 0.00006 0.00029 126 4PZ 0.00000 0.00004 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00005 -0.00001 0.00016 128 2S 0.00002 0.00000 0.00047 -0.00003 0.00126 129 3S 0.00064 0.00000 0.00140 -0.00004 0.00319 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00001 0.00000 0.00001 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00002 -0.00005 -0.00003 135 3S -0.00001 0.00000 -0.00002 -0.00031 -0.00018 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00005 0.00015 0.00000 140 2S 0.00000 0.00000 0.00047 0.00122 0.00002 141 3S 0.00001 0.00000 0.00140 0.00312 0.00004 142 4PX 0.00000 0.00000 0.00001 0.00001 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 4PZ 0.13219 32 5D 0 0.00000 0.00039 33 5D+1 0.00000 0.00000 0.00074 34 5D-1 0.00000 0.00000 0.00000 0.00094 35 5D+2 0.00000 0.00000 0.00000 0.00000 0.00202 36 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 37 3 C 1S 0.00000 -0.00006 0.00000 0.00000 -0.00030 38 2S 0.00000 -0.00009 0.00000 0.00000 -0.00047 39 2PX 0.00000 0.00001 0.00000 0.00000 0.00018 40 2PY 0.00000 0.00023 0.00000 0.00000 0.00131 41 2PZ 0.00515 0.00000 0.00001 0.00074 0.00000 42 3S 0.00000 0.00065 0.00000 0.00000 0.00344 43 3PX 0.00000 0.00001 0.00000 0.00000 0.00049 44 3PY 0.00000 0.00038 0.00000 0.00000 0.00205 45 3PZ 0.02690 0.00000 0.00005 0.00306 0.00000 46 4S 0.00000 0.00008 0.00000 0.00000 0.00088 47 4PX 0.00000 0.00000 0.00000 0.00000 0.00014 48 4PY 0.00000 -0.00002 0.00000 0.00000 -0.00024 49 4PZ 0.04778 0.00000 0.00005 0.00200 0.00000 50 5D 0 0.00000 0.00003 0.00000 0.00000 0.00001 51 5D+1 0.00001 0.00000 -0.00001 0.00004 0.00000 52 5D-1 0.00204 0.00000 -0.00004 -0.00003 0.00000 53 5D+2 0.00000 0.00001 0.00000 0.00000 0.00007 54 5D-2 0.00000 0.00000 0.00000 0.00000 -0.00005 55 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 56 2S 0.00000 0.00000 0.00000 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 59 2PZ -0.00017 0.00000 0.00000 0.00000 0.00000 60 3S 0.00000 0.00000 0.00000 0.00000 0.00003 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 62 3PY 0.00000 0.00003 0.00000 0.00000 0.00009 63 3PZ -0.00118 0.00000 -0.00002 0.00009 0.00000 64 4S 0.00000 0.00000 0.00000 0.00000 0.00004 65 4PX 0.00000 0.00000 0.00000 0.00000 -0.00002 66 4PY 0.00000 0.00001 0.00000 0.00000 0.00002 67 4PZ -0.00590 0.00000 -0.00012 0.00050 0.00000 68 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 69 5D+1 0.00023 0.00000 0.00000 0.00000 0.00000 70 5D-1 0.00014 0.00000 0.00000 0.00001 0.00000 71 5D+2 0.00000 0.00000 0.00000 0.00000 0.00001 72 5D-2 0.00000 0.00000 0.00000 0.00000 0.00002 73 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00000 0.00000 75 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 2PZ -0.00026 0.00000 0.00000 0.00000 0.00000 78 3S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 3PZ -0.00211 0.00000 0.00000 0.00000 0.00000 82 4S 0.00000 0.00000 0.00000 0.00000 -0.00001 83 4PX 0.00000 0.00001 0.00000 0.00000 0.00000 84 4PY 0.00000 0.00001 0.00000 0.00000 -0.00009 85 4PZ -0.01057 0.00000 -0.00001 -0.00001 0.00000 86 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 5D+1 -0.00001 0.00000 0.00000 0.00000 0.00000 88 5D-1 -0.00001 0.00000 0.00000 0.00000 0.00000 89 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ -0.00017 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 0.00000 0.00000 0.00010 97 3PX 0.00000 0.00003 0.00000 0.00000 0.00032 98 3PY 0.00000 0.00000 0.00000 0.00000 0.00003 99 3PZ -0.00118 0.00000 0.00008 -0.00001 0.00000 100 4S 0.00000 0.00000 0.00000 0.00000 0.00025 101 4PX 0.00000 0.00001 0.00000 0.00000 0.00027 102 4PY 0.00000 0.00000 0.00000 0.00000 0.00004 103 4PZ -0.00591 0.00000 0.00043 -0.00006 0.00000 104 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 105 5D+1 0.00031 0.00000 0.00001 0.00000 0.00000 106 5D-1 0.00007 0.00000 0.00000 0.00000 0.00000 107 5D+2 0.00000 0.00000 0.00000 0.00000 0.00004 108 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 110 2S 0.00000 0.00000 0.00000 0.00000 0.00007 111 3S 0.00000 -0.00001 0.00000 0.00000 0.00004 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ 0.00028 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 0.00043 0.00000 0.00000 0.00020 116 2S 0.00000 0.00037 0.00000 0.00000 0.00020 117 3S 0.00000 0.00001 0.00000 0.00000 0.00002 118 4PX 0.00000 0.00003 0.00000 0.00000 -0.00009 119 4PY 0.00000 0.00002 0.00000 0.00000 -0.00013 120 4PZ 0.00212 0.00000 -0.00010 -0.00006 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 122 2S 0.00000 0.00000 0.00000 0.00000 -0.00010 123 3S 0.00000 -0.00001 0.00000 0.00000 -0.00007 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00028 0.00000 0.00000 0.00001 0.00000 127 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 0.00000 0.00000 0.00000 0.00001 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3S 0.00000 0.00000 0.00000 0.00000 0.00000 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 5D-2 0.00257 37 3 C 1S -0.00002 0.65853 38 2S -0.00003 0.49202 0.48917 39 2PX 0.00082 0.00000 0.00000 0.08841 40 2PY 0.00018 0.00000 0.00000 0.00000 0.09050 41 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 42 3S 0.00020 -0.02684 -0.05961 0.00000 0.00000 43 3PX 0.00327 0.00000 0.00000 0.07801 0.00000 44 3PY 0.00037 0.00000 0.00000 0.00000 0.07988 45 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4S 0.00014 -0.01194 -0.02032 0.00000 0.00000 47 4PX 0.00133 0.00000 0.00000 0.01490 0.00000 48 4PY 0.00003 0.00000 0.00000 0.00000 0.01395 49 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 51 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 5D+2 -0.00005 0.00000 0.00000 0.00000 0.00000 54 5D-2 -0.00068 0.00000 0.00000 0.00000 0.00000 55 4 C 1S 0.00000 0.00000 0.00000 -0.00003 -0.00002 56 2S 0.00000 0.00000 0.00000 -0.00002 -0.00001 57 2PX 0.00000 -0.00003 -0.00002 0.00100 0.00077 58 2PY 0.00001 -0.00002 -0.00001 0.00072 0.00027 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S 0.00010 -0.00039 -0.00065 0.00476 0.00279 61 3PX 0.00005 -0.00116 -0.00200 0.00647 0.00596 62 3PY 0.00019 -0.00066 -0.00114 0.00569 0.00135 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S 0.00028 0.00056 0.00055 0.00335 0.00133 65 4PX -0.00008 -0.00077 -0.00144 0.00040 0.00222 66 4PY 0.00033 0.00010 -0.00021 0.00215 -0.00069 67 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 5D 0 0.00000 -0.00006 -0.00009 0.00016 0.00008 69 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 70 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 71 5D+2 0.00001 -0.00002 -0.00003 0.00006 0.00094 72 5D-2 0.00001 -0.00030 -0.00046 0.00127 0.00021 73 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00000 0.00000 75 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S -0.00001 0.00000 0.00000 -0.00002 0.00000 79 3PX -0.00001 0.00000 0.00000 -0.00006 0.00000 80 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 81 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 4S -0.00015 -0.00007 -0.00006 -0.00064 0.00001 83 4PX -0.00017 0.00003 0.00013 -0.00137 -0.00004 84 4PY -0.00004 -0.00001 -0.00001 0.00005 0.00008 85 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 5D+2 0.00000 0.00000 0.00000 0.00001 0.00000 90 5D-2 0.00001 0.00000 0.00000 0.00000 0.00000 91 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00002 0.00000 0.00000 0.00000 0.00000 97 3PX 0.00006 0.00000 0.00000 0.00000 0.00000 98 3PY -0.00004 0.00000 0.00000 0.00000 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4S 0.00008 0.00004 0.00005 -0.00012 -0.00002 101 4PX 0.00014 0.00007 0.00008 0.00002 -0.00005 102 4PY -0.00019 0.00001 0.00001 -0.00005 0.00000 103 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 108 5D-2 -0.00001 0.00000 0.00000 0.00000 0.00000 109 7 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 110 2S 0.00047 0.00000 0.00000 0.00000 0.00000 111 3S 0.00018 -0.00001 -0.00001 0.00001 0.00008 112 4PX 0.00002 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00002 0.00000 0.00000 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00269 0.00000 0.00000 0.00000 0.00000 116 2S 0.00268 0.00001 0.00002 -0.00003 -0.00024 117 3S 0.00030 0.00014 0.00023 -0.00014 -0.00071 118 4PX 0.00005 0.00000 0.00000 0.00000 0.00000 119 4PY 0.00001 0.00000 0.00000 0.00000 0.00001 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00006 -0.00022 -0.00031 0.00643 0.00113 122 2S 0.00064 -0.00229 -0.00390 0.01566 0.00274 123 3S 0.00029 -0.00027 -0.00050 0.00281 0.00049 124 4PX 0.00001 -0.00046 -0.00069 0.00133 0.00062 125 4PY 0.00003 -0.00008 -0.00012 0.00062 0.00010 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00001 0.00002 -0.00005 -0.00021 129 3S -0.00001 0.00014 0.00023 -0.00011 -0.00074 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3S 0.00002 -0.00001 -0.00001 0.00007 0.00001 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S 0.00000 0.00000 0.00000 0.00000 0.00000 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 2PZ 0.06857 42 3S 0.00000 0.42720 43 3PX 0.00000 0.00000 0.17399 44 3PY 0.00000 0.00000 0.00000 0.17834 45 3PZ 0.06551 0.00000 0.00000 0.00000 0.15816 46 4S 0.00000 0.19618 0.00000 0.00000 0.00000 47 4PX 0.00000 0.00000 0.06188 0.00000 0.00000 48 4PY 0.00000 0.00000 0.00000 0.05775 0.00000 49 4PZ 0.02083 0.00000 0.00000 0.00000 0.09377 50 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 51 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 4 C 1S 0.00000 -0.00039 -0.00114 -0.00068 0.00000 56 2S 0.00000 -0.00065 -0.00198 -0.00116 0.00000 57 2PX 0.00000 0.00480 0.00635 0.00599 0.00000 58 2PY 0.00000 0.00275 0.00572 0.00140 0.00000 59 2PZ 0.00019 0.00000 0.00000 0.00000 0.00327 60 3S 0.00000 0.01541 0.02637 0.01546 0.00000 61 3PX 0.00000 0.02656 0.01748 0.02082 0.00000 62 3PY 0.00000 0.01527 0.02040 0.00200 0.00000 63 3PZ 0.00327 0.00000 0.00000 0.00000 0.01919 64 4S 0.00000 0.00001 0.01645 0.00665 0.00000 65 4PX 0.00000 0.01544 -0.00018 0.00892 0.00000 66 4PY 0.00000 0.00740 0.00877 -0.00454 0.00000 67 4PZ 0.00513 0.00000 0.00000 0.00000 0.02684 68 5D 0 0.00000 0.00065 0.00027 0.00012 0.00000 69 5D+1 0.00047 0.00000 0.00000 0.00000 0.00196 70 5D-1 0.00027 0.00000 0.00000 0.00000 0.00114 71 5D+2 0.00000 0.00022 0.00066 0.00297 0.00000 72 5D-2 0.00000 0.00341 0.00232 0.00023 0.00000 73 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00000 0.00000 75 2PX 0.00000 -0.00002 -0.00006 0.00000 0.00000 76 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S 0.00000 -0.00015 -0.00049 -0.00002 0.00000 79 3PX 0.00000 -0.00050 -0.00108 -0.00006 0.00000 80 3PY 0.00000 0.00000 0.00002 -0.00001 0.00000 81 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 82 4S 0.00000 0.00000 -0.00400 0.00008 0.00000 83 4PX 0.00000 -0.00377 -0.00701 -0.00018 0.00000 84 4PY 0.00000 -0.00001 0.00028 0.00044 0.00000 85 4PZ -0.00017 0.00000 0.00000 0.00000 -0.00118 86 5D 0 0.00000 0.00000 0.00003 0.00000 0.00000 87 5D+1 0.00000 0.00000 0.00000 0.00000 0.00008 88 5D-1 0.00000 0.00000 0.00000 0.00000 -0.00001 89 5D+2 0.00000 0.00010 0.00032 0.00003 0.00000 90 5D-2 0.00000 0.00002 0.00006 -0.00004 0.00000 91 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 -0.00002 -0.00005 -0.00001 0.00000 97 3PX 0.00000 -0.00005 -0.00008 -0.00003 0.00000 98 3PY 0.00000 -0.00001 -0.00003 0.00001 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00007 100 4S 0.00000 -0.00084 -0.00088 -0.00015 0.00000 101 4PX 0.00000 -0.00086 0.00015 -0.00032 0.00000 102 4PY 0.00000 -0.00015 -0.00032 -0.00002 0.00000 103 4PZ -0.00026 0.00000 0.00000 0.00000 -0.00211 104 5D 0 0.00000 0.00000 0.00001 0.00000 0.00000 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 0.00000 -0.00001 -0.00001 -0.00001 0.00000 108 5D-2 0.00000 -0.00001 -0.00001 0.00000 0.00000 109 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S 0.00000 0.00001 0.00000 0.00002 0.00000 111 3S 0.00000 0.00027 0.00007 0.00056 0.00000 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 -0.00005 -0.00001 -0.00017 0.00000 116 2S 0.00000 -0.00110 -0.00027 -0.00236 0.00000 117 3S 0.00000 -0.00312 -0.00077 -0.00402 0.00000 118 4PX 0.00000 -0.00002 0.00000 -0.00005 0.00000 119 4PY 0.00000 0.00006 0.00001 0.00023 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00004 121 9 H 1S 0.00000 0.01498 0.03339 0.00584 0.00000 122 2S 0.00000 0.04403 0.06153 0.01077 0.00000 123 3S 0.00000 0.00602 0.01375 0.00240 0.00000 124 4PX 0.00000 0.00508 0.00235 0.00148 0.00000 125 4PY 0.00000 0.00089 0.00148 0.00075 0.00000 126 4PZ 0.00049 0.00000 0.00000 0.00000 0.00222 127 10 H 1S 0.00000 -0.00005 -0.00004 -0.00014 0.00000 128 2S 0.00000 -0.00110 -0.00053 -0.00210 0.00000 129 3S 0.00000 -0.00312 -0.00060 -0.00420 0.00000 130 4PX 0.00000 0.00003 0.00003 0.00007 0.00000 131 4PY 0.00000 0.00001 0.00000 0.00010 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00004 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00001 0.00002 0.00000 0.00000 135 3S 0.00000 0.00027 0.00054 0.00010 0.00000 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S 0.00000 -0.00001 -0.00002 0.00000 0.00000 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4S 0.17471 47 4PX 0.00000 0.05498 48 4PY 0.00000 0.00000 0.04788 49 4PZ 0.00000 0.00000 0.00000 0.13222 50 5D 0 0.00000 0.00000 0.00000 0.00000 0.00039 51 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 4 C 1S 0.00056 -0.00008 -0.00059 0.00000 -0.00006 56 2S 0.00055 -0.00065 -0.00100 0.00000 -0.00009 57 2PX 0.00257 0.00058 0.00196 0.00000 0.00014 58 2PY 0.00211 0.00188 -0.00035 0.00000 0.00010 59 2PZ 0.00000 0.00000 0.00000 0.00513 0.00000 60 3S 0.00001 0.01346 0.00938 0.00000 0.00065 61 3PX 0.01278 -0.00026 0.00782 0.00000 0.00023 62 3PY 0.01032 0.00766 -0.00224 0.00000 0.00016 63 3PZ 0.00000 0.00000 0.00000 0.02683 0.00000 64 4S -0.02426 0.01032 0.00420 0.00000 0.00008 65 4PX 0.00805 -0.00555 0.00568 0.00000 -0.00001 66 4PY 0.00647 0.00540 -0.00577 0.00000 -0.00001 67 4PZ 0.00000 0.00000 0.00000 0.04769 0.00000 68 5D 0 0.00008 -0.00001 -0.00001 0.00000 0.00003 69 5D+1 0.00000 0.00000 0.00000 0.00137 0.00000 70 5D-1 0.00000 0.00000 0.00000 0.00068 0.00000 71 5D+2 0.00015 0.00042 0.00093 0.00000 0.00000 72 5D-2 0.00087 0.00003 -0.00012 0.00000 0.00001 73 5 C 1S -0.00007 0.00002 0.00001 0.00000 0.00000 74 2S -0.00006 0.00012 0.00001 0.00000 0.00000 75 2PX -0.00060 -0.00130 -0.00009 0.00000 0.00000 76 2PY -0.00003 0.00000 0.00009 0.00000 0.00000 77 2PZ 0.00000 0.00000 0.00000 -0.00017 0.00000 78 3S 0.00000 -0.00367 -0.00012 0.00000 0.00000 79 3PX -0.00372 -0.00653 -0.00048 0.00000 0.00002 80 3PY -0.00021 -0.00002 0.00056 0.00000 0.00000 81 3PZ 0.00000 0.00000 0.00000 -0.00118 0.00000 82 4S 0.00548 -0.00692 0.00003 0.00000 0.00000 83 4PX -0.00664 -0.01136 -0.00056 0.00000 0.00001 84 4PY -0.00026 0.00024 0.00244 0.00000 0.00000 85 4PZ 0.00000 0.00000 0.00000 -0.00590 0.00000 86 5D 0 0.00000 0.00001 0.00000 0.00000 0.00000 87 5D+1 0.00000 0.00000 0.00000 0.00043 0.00000 88 5D-1 0.00000 0.00000 0.00000 -0.00006 0.00000 89 5D+2 0.00025 0.00027 0.00004 0.00000 0.00000 90 5D-2 0.00008 0.00014 -0.00019 0.00000 0.00000 91 6 C 1S 0.00004 0.00007 0.00001 0.00000 0.00000 92 2S 0.00005 0.00008 0.00001 0.00000 0.00000 93 2PX -0.00012 0.00002 -0.00005 0.00000 0.00000 94 2PY -0.00002 -0.00005 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 -0.00026 0.00000 96 3S -0.00084 -0.00086 -0.00015 0.00000 0.00000 97 3PX -0.00088 0.00015 -0.00032 0.00000 0.00001 98 3PY -0.00015 -0.00032 -0.00002 0.00000 0.00000 99 3PZ 0.00000 0.00000 0.00000 -0.00211 0.00000 100 4S -0.00484 -0.00325 -0.00057 0.00000 0.00000 101 4PX -0.00325 0.00117 -0.00048 0.00000 0.00001 102 4PY -0.00057 -0.00049 -0.00045 0.00000 0.00000 103 4PZ 0.00000 0.00000 0.00000 -0.01057 0.00000 104 5D 0 0.00000 0.00001 0.00000 0.00000 0.00000 105 5D+1 0.00000 0.00000 0.00000 -0.00002 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 -0.00008 -0.00005 -0.00011 0.00000 0.00000 108 5D-2 -0.00008 -0.00016 0.00000 0.00000 0.00000 109 7 H 1S 0.00005 0.00001 0.00014 0.00000 0.00000 110 2S 0.00047 0.00010 0.00113 0.00000 0.00000 111 3S 0.00140 0.00032 0.00284 0.00000 0.00000 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00001 0.00000 0.00001 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S -0.00164 0.00001 -0.00141 0.00000 0.00000 116 2S -0.00752 -0.00022 -0.00550 0.00000 0.00000 117 3S -0.00801 -0.00114 -0.00581 0.00000 -0.00001 118 4PX -0.00010 -0.00006 -0.00012 0.00000 0.00000 119 4PY 0.00003 0.00002 0.00037 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00028 0.00000 121 9 H 1S 0.01656 0.01821 0.00319 0.00000 0.00043 122 2S 0.04744 0.04421 0.00773 0.00000 0.00037 123 3S 0.01363 0.01692 0.00296 0.00000 0.00001 124 4PX 0.00191 -0.00012 0.00033 0.00000 0.00004 125 4PY 0.00033 0.00033 0.00051 0.00000 0.00001 126 4PZ 0.00000 0.00000 0.00000 0.00212 0.00000 127 10 H 1S -0.00164 -0.00048 -0.00092 0.00000 0.00000 128 2S -0.00752 -0.00164 -0.00408 0.00000 0.00000 129 3S -0.00802 -0.00085 -0.00610 0.00000 -0.00001 130 4PX 0.00011 -0.00003 0.00013 0.00000 0.00000 131 4PY -0.00017 -0.00006 0.00017 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00028 0.00000 133 11 H 1S 0.00005 0.00012 0.00003 0.00000 0.00000 134 2S 0.00047 0.00102 0.00021 0.00000 0.00000 135 3S 0.00140 0.00265 0.00051 0.00000 0.00000 136 4PX 0.00001 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00001 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 140 2S 0.00002 -0.00006 -0.00001 0.00000 0.00000 141 3S -0.00002 -0.00041 -0.00007 0.00000 0.00000 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 5D+1 0.00057 52 5D-1 0.00000 0.00111 53 5D+2 0.00000 0.00000 0.00229 54 5D-2 0.00000 0.00000 0.00000 0.00230 55 4 C 1S 0.00000 0.00000 -0.00003 -0.00029 0.65853 56 2S 0.00000 0.00000 -0.00004 -0.00046 0.49202 57 2PX 0.00000 0.00000 0.00006 0.00123 0.00000 58 2PY 0.00000 0.00000 0.00097 0.00022 0.00000 59 2PZ 0.00047 0.00028 0.00000 0.00000 0.00000 60 3S 0.00000 0.00000 0.00029 0.00335 -0.02684 61 3PX 0.00000 0.00000 0.00062 0.00222 0.00000 62 3PY 0.00000 0.00000 0.00307 0.00026 0.00000 63 3PZ 0.00197 0.00114 0.00000 0.00000 0.00000 64 4S 0.00000 0.00000 0.00000 0.00102 -0.01194 65 4PX 0.00000 0.00000 0.00033 0.00003 0.00000 66 4PY 0.00000 0.00000 0.00105 -0.00015 0.00000 67 4PZ 0.00122 0.00083 0.00000 0.00000 0.00000 68 5D 0 0.00000 0.00000 0.00000 0.00001 0.00000 69 5D+1 0.00000 -0.00017 0.00000 0.00000 0.00000 70 5D-1 0.00012 0.00000 0.00000 0.00000 0.00000 71 5D+2 0.00000 0.00000 -0.00067 -0.00005 0.00000 72 5D-2 0.00000 0.00000 -0.00006 0.00007 0.00000 73 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00000 0.00000 75 2PX 0.00000 0.00000 0.00002 0.00000 -0.00004 76 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S 0.00000 0.00000 0.00013 -0.00001 -0.00040 79 3PX 0.00000 0.00000 0.00043 -0.00002 -0.00154 80 3PY 0.00000 0.00000 -0.00003 -0.00002 -0.00028 81 3PZ 0.00006 0.00001 0.00000 0.00000 0.00000 82 4S 0.00000 0.00000 0.00037 -0.00004 0.00056 83 4PX 0.00000 0.00000 0.00047 -0.00009 -0.00031 84 4PY 0.00000 0.00000 -0.00004 -0.00009 -0.00036 85 4PZ 0.00031 0.00007 0.00000 0.00000 0.00000 86 5D 0 0.00000 0.00000 0.00000 0.00000 -0.00006 87 5D+1 0.00001 0.00000 0.00000 0.00000 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 5D+2 0.00000 0.00000 0.00004 0.00000 -0.00016 90 5D-2 0.00000 0.00000 0.00000 -0.00001 -0.00016 91 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 0.00000 -0.00001 -0.00001 0.00000 97 3PX 0.00000 0.00000 -0.00001 -0.00001 0.00000 98 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4S 0.00000 0.00000 -0.00008 -0.00008 -0.00007 101 4PX 0.00000 0.00000 -0.00005 -0.00016 -0.00002 102 4PY 0.00000 0.00000 -0.00011 0.00000 0.00004 103 4PZ -0.00001 0.00000 0.00000 0.00000 0.00000 104 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 0.00000 0.00000 0.00000 0.00001 0.00000 108 5D-2 0.00000 0.00000 0.00001 0.00000 0.00000 109 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S 0.00000 0.00000 0.00001 -0.00001 0.00000 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 0.00000 0.00001 0.00004 0.00000 116 2S 0.00000 0.00000 0.00010 0.00044 0.00000 117 3S 0.00000 0.00000 0.00000 0.00022 -0.00001 118 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 4PY 0.00000 0.00000 0.00002 0.00002 0.00000 120 4PZ 0.00000 0.00001 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00142 0.00146 0.00000 122 2S 0.00000 0.00000 0.00142 0.00146 0.00001 123 3S 0.00000 0.00000 0.00016 0.00016 0.00014 124 4PX 0.00000 0.00000 0.00001 0.00003 0.00000 125 4PY 0.00000 0.00000 -0.00009 -0.00011 0.00000 126 4PZ -0.00013 -0.00002 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00004 0.00001 -0.00022 128 2S 0.00000 0.00000 0.00043 0.00011 -0.00229 129 3S 0.00000 0.00000 0.00022 0.00000 -0.00027 130 4PX 0.00000 0.00000 0.00000 0.00000 -0.00001 131 4PY 0.00000 0.00000 0.00001 0.00002 -0.00053 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00001 135 3S 0.00000 0.00000 -0.00001 0.00001 0.00014 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S 0.00000 0.00000 0.00001 0.00001 -0.00001 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 2S 0.48917 57 2PX 0.00000 0.09087 58 2PY 0.00000 0.00000 0.08804 59 2PZ 0.00000 0.00000 0.00000 0.06857 60 3S -0.05961 0.00000 0.00000 0.00000 0.42721 61 3PX 0.00000 0.08022 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 0.07767 0.00000 0.00000 63 3PZ 0.00000 0.00000 0.00000 0.06551 0.00000 64 4S -0.02033 0.00000 0.00000 0.00000 0.19619 65 4PX 0.00000 0.01378 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00000 0.01509 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.00000 0.02083 0.00000 68 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 69 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 70 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 71 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 72 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 73 5 C 1S 0.00000 -0.00004 -0.00001 0.00000 -0.00040 74 2S 0.00000 -0.00003 -0.00001 0.00000 -0.00065 75 2PX -0.00003 0.00194 0.00039 0.00000 0.00643 76 2PY -0.00001 0.00043 0.00002 0.00000 0.00114 77 2PZ 0.00000 0.00000 0.00000 0.00019 0.00000 78 3S -0.00065 0.00646 0.00111 0.00000 0.01546 79 3PX -0.00267 0.01316 0.00313 0.00000 0.03558 80 3PY -0.00048 0.00333 -0.00012 0.00000 0.00631 81 3PZ 0.00000 0.00000 0.00000 0.00328 0.00000 82 4S 0.00055 0.00369 0.00098 0.00000 0.00001 83 4PX -0.00112 0.00248 0.00083 0.00000 0.01871 84 4PY -0.00054 0.00089 -0.00014 0.00000 0.00414 85 4PZ 0.00000 0.00000 0.00000 0.00515 0.00000 86 5D 0 -0.00009 0.00019 0.00004 0.00000 0.00065 87 5D+1 0.00000 0.00000 0.00000 0.00064 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00011 0.00000 89 5D+2 -0.00025 0.00023 0.00104 0.00000 0.00186 90 5D-2 -0.00024 0.00119 0.00003 0.00000 0.00178 91 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 94 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00000 -0.00001 -0.00001 0.00000 -0.00015 97 3PX 0.00000 -0.00001 -0.00001 0.00000 -0.00016 98 3PY 0.00000 -0.00003 -0.00002 0.00000 -0.00035 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4S -0.00006 -0.00016 -0.00048 0.00000 0.00000 101 4PX 0.00001 -0.00014 -0.00008 0.00000 -0.00118 102 4PY 0.00011 -0.00042 -0.00065 0.00000 -0.00260 103 4PZ 0.00000 0.00000 0.00000 -0.00017 0.00000 104 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 0.00000 0.00000 0.00000 0.00000 -0.00001 108 5D-2 0.00000 0.00001 0.00001 0.00000 0.00013 109 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00001 117 3S -0.00001 0.00004 0.00005 0.00000 0.00027 118 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00005 122 2S 0.00002 -0.00025 -0.00001 0.00000 -0.00110 123 3S 0.00023 -0.00084 0.00000 0.00000 -0.00312 124 4PX 0.00000 0.00001 0.00000 0.00000 0.00003 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S -0.00031 0.00012 0.00743 0.00000 0.01498 128 2S -0.00390 0.00030 0.01810 0.00000 0.04403 129 3S -0.00050 0.00005 0.00325 0.00000 0.00602 130 4PX -0.00001 0.00041 0.00008 0.00000 0.00010 131 4PY -0.00080 0.00008 0.00210 0.00000 0.00588 132 4PZ 0.00000 0.00000 0.00000 0.00049 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00005 134 2S 0.00002 -0.00026 0.00000 0.00000 -0.00110 135 3S 0.00023 -0.00083 -0.00001 0.00000 -0.00312 136 4PX 0.00000 0.00001 0.00000 0.00000 0.00005 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00001 141 3S -0.00001 0.00006 0.00003 0.00000 0.00027 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 3PX 0.17915 62 3PY 0.00000 0.17318 63 3PZ 0.00000 0.00000 0.15815 64 4S 0.00000 0.00000 0.00000 0.17471 65 4PX 0.05698 0.00000 0.00000 0.00000 0.04656 66 4PY 0.00000 0.06265 0.00000 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.09378 0.00000 0.00000 68 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 69 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 70 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 71 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 72 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 73 5 C 1S -0.00156 -0.00026 0.00000 0.00056 -0.00083 74 2S -0.00269 -0.00046 0.00000 0.00054 -0.00170 75 2PX 0.01330 0.00305 0.00000 0.00427 0.00203 76 2PY 0.00326 -0.00011 0.00000 0.00041 0.00140 77 2PZ 0.00000 0.00000 0.00328 0.00000 0.00000 78 3S 0.03572 0.00617 0.00000 0.00002 0.02018 79 3PX 0.03958 0.01109 0.00000 0.02100 0.00550 80 3PY 0.01140 -0.00137 0.00000 0.00208 0.00566 81 3PZ 0.00000 0.00000 0.01925 0.00000 0.00000 82 4S 0.01830 0.00479 0.00000 -0.02429 0.01150 83 4PX 0.00678 0.00337 0.00000 0.01316 -0.00286 84 4PY 0.00349 -0.00071 0.00000 0.00132 0.00312 85 4PZ 0.00000 0.00000 0.02690 0.00000 0.00000 86 5D 0 0.00032 0.00007 0.00000 0.00008 -0.00002 87 5D+1 0.00000 0.00000 0.00265 0.00000 0.00000 88 5D-1 0.00000 0.00000 0.00046 0.00000 0.00000 89 5D+2 0.00023 0.00294 0.00000 0.00035 -0.00018 90 5D-2 0.00234 0.00067 0.00000 0.00066 0.00017 91 6 C 1S 0.00000 0.00000 0.00000 -0.00007 0.00004 92 2S 0.00000 0.00000 0.00000 -0.00006 0.00008 93 2PX -0.00001 -0.00001 0.00000 -0.00031 -0.00021 94 2PY -0.00002 -0.00003 0.00000 -0.00033 -0.00047 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S -0.00021 -0.00029 0.00000 0.00000 -0.00159 97 3PX -0.00011 -0.00015 0.00000 -0.00199 -0.00092 98 3PY -0.00047 -0.00040 0.00000 -0.00193 -0.00254 99 3PZ 0.00000 0.00000 -0.00004 0.00000 0.00000 100 4S -0.00089 -0.00303 0.00000 0.00549 -0.00198 101 4PX -0.00055 -0.00047 0.00000 -0.00308 -0.00043 102 4PY -0.00223 -0.00323 0.00000 -0.00381 -0.00382 103 4PZ 0.00000 0.00000 -0.00118 0.00000 0.00000 104 5D 0 0.00000 0.00002 0.00000 0.00000 0.00000 105 5D+1 0.00000 0.00000 -0.00001 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00008 0.00000 0.00000 107 5D+2 -0.00004 0.00000 0.00000 -0.00004 -0.00019 108 5D-2 0.00024 0.00017 0.00000 0.00037 0.00020 109 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S 0.00000 0.00000 0.00000 0.00002 0.00000 111 3S 0.00000 -0.00002 0.00000 -0.00002 -0.00001 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 0.00000 0.00000 0.00005 0.00007 116 2S 0.00001 0.00001 0.00000 0.00047 0.00053 117 3S 0.00025 0.00039 0.00000 0.00140 0.00129 118 4PX 0.00000 0.00000 0.00000 0.00001 0.00000 119 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S -0.00017 -0.00001 0.00000 -0.00164 -0.00126 122 2S -0.00253 -0.00010 0.00000 -0.00752 -0.00526 123 3S -0.00479 -0.00001 0.00000 -0.00802 -0.00694 124 4PX 0.00017 0.00000 0.00000 -0.00012 0.00027 125 4PY 0.00004 -0.00001 0.00000 0.00005 0.00007 126 4PZ 0.00000 0.00000 0.00004 0.00000 0.00000 127 10 H 1S 0.00064 0.03860 0.00000 0.01656 0.00035 128 2S 0.00117 0.07112 0.00000 0.04744 0.00084 129 3S 0.00026 0.01589 0.00000 0.01363 0.00032 130 4PX 0.00175 0.00019 0.00000 0.00004 0.00091 131 4PY 0.00019 0.00394 0.00000 0.00221 0.00004 132 4PZ 0.00000 0.00000 0.00222 0.00000 0.00000 133 11 H 1S -0.00018 0.00000 0.00000 -0.00163 -0.00143 134 2S -0.00262 -0.00001 0.00000 -0.00752 -0.00577 135 3S -0.00472 -0.00007 0.00000 -0.00801 -0.00684 136 4PX 0.00022 0.00000 0.00000 -0.00005 0.00035 137 4PY -0.00001 -0.00002 0.00000 -0.00002 -0.00002 138 4PZ 0.00000 0.00000 0.00004 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 0.00005 0.00011 140 2S 0.00001 0.00001 0.00000 0.00047 0.00086 141 3S 0.00042 0.00022 0.00000 0.00140 0.00212 142 4PX 0.00000 0.00000 0.00000 0.00001 0.00001 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 4PY 0.05631 67 4PZ 0.00000 0.13225 68 5D 0 0.00000 0.00000 0.00039 69 5D+1 0.00000 0.00000 0.00000 0.00121 70 5D-1 0.00000 0.00000 0.00000 0.00000 0.00047 71 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 72 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 73 5 C 1S 0.00016 0.00000 -0.00006 0.00000 0.00000 74 2S 0.00004 0.00000 -0.00009 0.00000 0.00000 75 2PX 0.00135 0.00000 0.00020 0.00000 0.00000 76 2PY -0.00071 0.00000 0.00003 0.00000 0.00000 77 2PZ 0.00000 0.00515 0.00000 0.00064 0.00011 78 3S 0.00267 0.00000 0.00065 0.00000 0.00000 79 3PX 0.00554 0.00000 0.00035 0.00000 0.00000 80 3PY -0.00375 0.00000 0.00004 0.00000 0.00000 81 3PZ 0.00000 0.02690 0.00000 0.00265 0.00047 82 4S 0.00299 0.00000 0.00008 0.00000 0.00000 83 4PX 0.00290 0.00000 -0.00002 0.00000 0.00000 84 4PY -0.00344 0.00000 0.00000 0.00000 0.00000 85 4PZ 0.00000 0.04778 0.00000 0.00180 0.00025 86 5D 0 0.00000 0.00000 0.00003 0.00000 0.00000 87 5D+1 0.00000 0.00169 0.00000 -0.00001 0.00009 88 5D-1 0.00000 0.00036 0.00000 -0.00012 0.00000 89 5D+2 0.00086 0.00000 0.00000 0.00000 0.00000 90 5D-2 0.00041 0.00000 0.00000 0.00000 0.00000 91 6 C 1S -0.00001 0.00000 0.00000 0.00000 0.00000 92 2S 0.00005 0.00000 0.00000 0.00000 0.00000 93 2PX -0.00013 0.00000 0.00000 0.00000 0.00000 94 2PY -0.00049 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 -0.00017 0.00000 0.00000 0.00000 96 3S -0.00219 0.00000 0.00000 0.00000 0.00000 97 3PX -0.00078 0.00000 0.00002 0.00000 0.00000 98 3PY -0.00224 0.00000 0.00001 0.00000 0.00000 99 3PZ 0.00000 -0.00118 0.00000 0.00006 0.00001 100 4S -0.00492 0.00000 0.00000 0.00000 0.00000 101 4PX -0.00078 0.00000 0.00001 0.00000 0.00000 102 4PY -0.00421 0.00000 0.00000 0.00000 0.00000 103 4PZ 0.00000 -0.00591 0.00000 0.00038 0.00000 104 5D 0 0.00001 0.00000 0.00000 0.00000 0.00000 105 5D+1 0.00000 -0.00010 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00048 0.00000 0.00001 0.00000 107 5D+2 0.00001 0.00000 0.00000 0.00000 0.00000 108 5D-2 0.00022 0.00000 0.00000 0.00000 0.00000 109 7 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 110 2S -0.00007 0.00000 0.00000 0.00000 0.00000 111 3S -0.00047 0.00000 0.00000 0.00000 0.00000 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00008 0.00000 0.00000 0.00000 0.00000 116 2S 0.00071 0.00000 0.00000 0.00000 0.00000 117 3S 0.00186 0.00000 0.00000 0.00000 0.00000 118 4PX 0.00001 0.00000 0.00000 0.00000 0.00000 119 4PY -0.00001 0.00000 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S -0.00015 0.00000 0.00000 0.00000 0.00000 122 2S -0.00045 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 124 4PX -0.00001 0.00000 0.00000 0.00000 0.00000 125 4PY -0.00012 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00028 0.00000 0.00001 0.00000 127 10 H 1S 0.02105 0.00000 0.00043 0.00000 0.00000 128 2S 0.05111 0.00000 0.00037 0.00000 0.00000 129 3S 0.01956 0.00000 0.00001 0.00000 0.00000 130 4PX 0.00004 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00005 0.00000 0.00005 0.00000 0.00000 132 4PZ 0.00000 0.00212 0.00000 0.00000 -0.00016 133 11 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 134 2S 0.00005 0.00000 0.00000 0.00000 0.00000 135 3S -0.00011 0.00000 -0.00001 0.00000 0.00000 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY -0.00012 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00028 0.00000 0.00001 0.00000 139 12 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 140 2S 0.00038 0.00000 0.00000 0.00000 0.00000 141 3S 0.00103 0.00000 0.00000 0.00000 0.00000 142 4PX 0.00001 0.00000 0.00000 0.00000 0.00000 143 4PY -0.00001 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 5D+2 0.00257 72 5D-2 0.00000 0.00202 73 5 C 1S -0.00015 -0.00017 0.65853 74 2S -0.00024 -0.00026 0.49202 0.48917 75 2PX 0.00020 0.00124 0.00000 0.00000 0.08908 76 2PY 0.00101 0.00003 0.00000 0.00000 0.00000 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S 0.00173 0.00191 -0.02684 -0.05961 0.00000 79 3PX 0.00021 0.00246 0.00000 0.00000 0.07860 80 3PY 0.00282 0.00069 0.00000 0.00000 0.00000 81 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 4S 0.00064 0.00037 -0.01194 -0.02032 0.00000 83 4PX -0.00014 0.00020 0.00000 0.00000 0.01461 84 4PY 0.00075 0.00045 0.00000 0.00000 0.00000 85 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 5D+2 -0.00015 -0.00022 0.00000 0.00000 0.00000 90 5D-2 -0.00021 -0.00014 0.00000 0.00000 0.00000 91 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 94 2PY 0.00000 0.00001 -0.00005 -0.00003 0.00006 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00003 0.00010 -0.00040 -0.00065 0.00013 97 3PX -0.00001 0.00006 -0.00003 -0.00005 0.00015 98 3PY 0.00003 0.00028 -0.00179 -0.00309 0.00042 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4S 0.00008 0.00025 0.00056 0.00055 -0.00003 101 4PX 0.00004 0.00005 0.00008 0.00008 -0.00009 102 4PY -0.00010 0.00026 -0.00075 -0.00173 0.00028 103 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 5D 0 0.00000 0.00000 -0.00006 -0.00009 0.00000 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 -0.00001 0.00001 -0.00029 -0.00046 0.00016 108 5D-2 0.00000 0.00004 -0.00002 -0.00004 0.00082 109 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S 0.00002 0.00000 -0.00001 -0.00001 0.00000 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S -0.00001 0.00001 0.00000 0.00000 0.00000 118 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00006 -0.00001 0.00000 0.00000 0.00000 122 2S 0.00064 -0.00010 0.00000 0.00000 0.00000 123 3S 0.00029 -0.00007 -0.00001 -0.00001 0.00009 124 4PX 0.00004 0.00000 0.00000 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00270 0.00018 0.00000 0.00000 0.00000 128 2S 0.00269 0.00018 0.00001 0.00002 -0.00012 129 3S 0.00030 0.00002 0.00014 0.00023 -0.00029 130 4PX -0.00001 -0.00023 0.00000 0.00000 0.00000 131 4PY 0.00008 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00004 0.00001 -0.00022 -0.00031 0.00478 134 2S 0.00048 0.00007 -0.00228 -0.00390 0.01165 135 3S 0.00018 0.00004 -0.00027 -0.00050 0.00209 136 4PX 0.00004 0.00000 -0.00034 -0.00051 0.00044 137 4PY 0.00000 0.00000 -0.00020 -0.00030 0.00113 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00001 0.00002 -0.00008 141 3S 0.00000 -0.00001 0.00014 0.00023 -0.00033 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 2PY 0.08984 77 2PZ 0.00000 0.06857 78 3S 0.00000 0.00000 0.42721 79 3PX 0.00000 0.00000 0.00000 0.17534 80 3PY 0.07930 0.00000 0.00000 0.00000 0.17698 81 3PZ 0.00000 0.06552 0.00000 0.00000 0.00000 82 4S 0.00000 0.00000 0.19614 0.00000 0.00000 83 4PX 0.00000 0.00000 0.00000 0.06057 0.00000 84 4PY 0.01425 0.00000 0.00000 0.00000 0.05903 85 4PZ 0.00000 0.02082 0.00000 0.00000 0.00000 86 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 6 C 1S -0.00005 0.00000 -0.00040 -0.00003 -0.00179 92 2S -0.00003 0.00000 -0.00065 -0.00005 -0.00309 93 2PX 0.00004 0.00000 0.00012 0.00014 0.00038 94 2PY 0.00265 0.00000 0.00745 0.00045 0.01851 95 2PZ 0.00000 0.00019 0.00000 0.00000 0.00000 96 3S 0.00743 0.00000 0.01543 0.00070 0.04115 97 3PX 0.00035 0.00000 0.00065 0.00071 0.00136 98 3PY 0.01856 0.00000 0.04121 0.00146 0.05717 99 3PZ 0.00000 0.00327 0.00000 0.00000 0.00000 100 4S 0.00470 0.00000 0.00001 -0.00011 0.02321 101 4PX 0.00026 0.00000 0.00011 -0.00055 0.00108 102 4PY 0.00363 0.00000 0.02274 0.00112 0.01132 103 4PZ 0.00000 0.00514 0.00000 0.00000 0.00000 104 5D 0 0.00023 0.00000 0.00065 0.00000 0.00039 105 5D+1 0.00000 0.00001 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00074 0.00000 0.00000 0.00000 107 5D+2 0.00130 0.00000 0.00338 0.00043 0.00204 108 5D-2 0.00021 0.00000 0.00026 0.00329 0.00042 109 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S 0.00000 0.00000 0.00001 0.00000 0.00002 111 3S 0.00009 0.00000 0.00027 0.00000 0.00064 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 -0.00001 -0.00001 -0.00001 118 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00001 0.00002 0.00000 123 3S 0.00000 0.00000 0.00027 0.00063 0.00001 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 -0.00005 -0.00009 -0.00009 128 2S -0.00015 0.00000 -0.00110 -0.00114 -0.00149 129 3S -0.00056 0.00000 -0.00312 -0.00163 -0.00316 130 4PX 0.00000 0.00000 0.00005 0.00010 0.00007 131 4PY 0.00000 0.00000 -0.00001 -0.00003 0.00005 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00277 0.00000 0.01497 0.02483 0.01440 134 2S 0.00675 0.00000 0.04401 0.04576 0.02654 135 3S 0.00121 0.00000 0.00601 0.01023 0.00593 136 4PX 0.00113 0.00000 0.00378 0.00062 0.00272 137 4PY -0.00003 0.00000 0.00219 0.00272 0.00001 138 4PZ 0.00000 0.00049 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 -0.00005 -0.00005 -0.00013 140 2S -0.00019 0.00000 -0.00110 -0.00079 -0.00184 141 3S -0.00051 0.00000 -0.00312 -0.00187 -0.00292 142 4PX 0.00000 0.00000 -0.00002 0.00002 -0.00005 143 4PY 0.00001 0.00000 0.00006 0.00004 0.00018 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 3PZ 0.15816 82 4S 0.00000 0.17467 83 4PX 0.00000 0.00000 0.05274 84 4PY 0.00000 0.00000 0.00000 0.05009 85 4PZ 0.09377 0.00000 0.00000 0.00000 0.13220 86 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 87 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 88 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 89 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 90 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 6 C 1S 0.00000 0.00056 -0.00010 -0.00057 0.00000 92 2S 0.00000 0.00055 -0.00013 -0.00153 0.00000 93 2PX 0.00000 0.00018 0.00018 0.00001 0.00000 94 2PY 0.00000 0.00450 0.00003 0.00386 0.00000 95 2PZ 0.00327 0.00000 0.00000 0.00000 0.00514 96 3S 0.00000 0.00000 0.00063 0.02222 0.00000 97 3PX 0.00000 0.00085 0.00082 0.00002 0.00000 98 3PY 0.00000 0.02224 0.00006 0.01206 0.00000 99 3PZ 0.01921 0.00000 0.00000 0.00000 0.02684 100 4S 0.00000 -0.02428 -0.00006 0.01458 0.00000 101 4PX 0.00000 0.00053 -0.00092 0.00034 0.00000 102 4PY 0.00000 0.01398 0.00042 -0.00011 0.00000 103 4PZ 0.02684 0.00000 0.00000 0.00000 0.04769 104 5D 0 0.00000 0.00008 0.00000 -0.00002 0.00000 105 5D+1 0.00005 0.00000 0.00000 0.00000 0.00001 106 5D-1 0.00306 0.00000 0.00000 0.00000 0.00204 107 5D+2 0.00000 0.00102 0.00010 -0.00023 0.00000 108 5D-2 0.00000 -0.00001 0.00135 0.00005 0.00000 109 7 H 1S 0.00000 0.00005 -0.00001 0.00016 0.00000 110 2S 0.00000 0.00047 -0.00003 0.00126 0.00000 111 3S 0.00000 0.00140 -0.00004 0.00319 0.00000 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00001 0.00000 0.00001 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00002 -0.00005 -0.00003 0.00000 117 3S 0.00000 -0.00002 -0.00031 -0.00018 0.00000 118 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00005 0.00015 0.00000 0.00000 122 2S 0.00000 0.00047 0.00122 0.00002 0.00000 123 3S 0.00000 0.00140 0.00312 0.00003 0.00000 124 4PX 0.00000 0.00001 0.00001 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 -0.00163 -0.00086 -0.00055 0.00000 128 2S 0.00000 -0.00751 -0.00308 -0.00263 0.00000 129 3S 0.00000 -0.00801 -0.00233 -0.00461 0.00000 130 4PX 0.00000 0.00012 0.00013 0.00011 0.00000 131 4PY 0.00000 -0.00019 -0.00012 0.00009 0.00000 132 4PZ 0.00004 0.00000 0.00000 0.00000 0.00028 133 11 H 1S 0.00000 0.01656 0.01354 0.00785 0.00000 134 2S 0.00000 0.04744 0.03288 0.01907 0.00000 135 3S 0.00000 0.01363 0.01258 0.00730 0.00000 136 4PX 0.00000 0.00142 -0.00020 0.00060 0.00000 137 4PY 0.00000 0.00082 0.00060 0.00004 0.00000 138 4PZ 0.00222 0.00000 0.00000 0.00000 0.00212 139 12 H 1S 0.00000 -0.00164 -0.00020 -0.00121 0.00000 140 2S 0.00000 -0.00752 -0.00117 -0.00454 0.00000 141 3S 0.00000 -0.00802 -0.00273 -0.00422 0.00000 142 4PX 0.00000 -0.00016 0.00002 -0.00016 0.00000 143 4PY 0.00000 0.00009 0.00006 0.00029 0.00000 144 4PZ 0.00004 0.00000 0.00000 0.00000 0.00028 86 87 88 89 90 86 5D 0 0.00039 87 5D+1 0.00000 0.00074 88 5D-1 0.00000 0.00000 0.00094 89 5D+2 0.00000 0.00000 0.00000 0.00203 90 5D-2 0.00000 0.00000 0.00000 0.00000 0.00257 91 6 C 1S -0.00006 0.00000 0.00000 -0.00030 -0.00002 92 2S -0.00009 0.00000 0.00000 -0.00047 -0.00003 93 2PX 0.00001 0.00000 0.00000 0.00018 0.00082 94 2PY 0.00023 0.00000 0.00000 0.00131 0.00018 95 2PZ 0.00000 0.00001 0.00074 0.00000 0.00000 96 3S 0.00065 0.00000 0.00000 0.00344 0.00020 97 3PX 0.00001 0.00000 0.00000 0.00049 0.00327 98 3PY 0.00038 0.00000 0.00000 0.00206 0.00037 99 3PZ 0.00000 0.00005 0.00306 0.00000 0.00000 100 4S 0.00008 0.00000 0.00000 0.00088 0.00014 101 4PX 0.00000 0.00000 0.00000 0.00014 0.00133 102 4PY -0.00002 0.00000 0.00000 -0.00024 0.00003 103 4PZ 0.00000 0.00005 0.00200 0.00000 0.00000 104 5D 0 0.00003 0.00000 0.00000 0.00001 0.00000 105 5D+1 0.00000 -0.00001 0.00004 0.00000 0.00000 106 5D-1 0.00000 -0.00004 -0.00003 0.00000 0.00000 107 5D+2 0.00001 0.00000 0.00000 0.00007 -0.00005 108 5D-2 0.00000 0.00000 0.00000 -0.00005 -0.00068 109 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S 0.00000 0.00000 0.00000 0.00001 -0.00001 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00002 118 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00000 0.00001 0.00004 128 2S 0.00000 0.00000 0.00000 0.00007 0.00047 129 3S -0.00001 0.00000 0.00000 0.00004 0.00018 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00002 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00002 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00043 0.00000 0.00000 0.00020 0.00268 134 2S 0.00037 0.00000 0.00000 0.00020 0.00267 135 3S 0.00001 0.00000 0.00000 0.00002 0.00030 136 4PX 0.00003 0.00000 0.00000 -0.00009 0.00005 137 4PY 0.00002 0.00000 0.00000 -0.00013 0.00001 138 4PZ 0.00000 -0.00010 -0.00006 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00006 140 2S 0.00000 0.00000 0.00000 -0.00010 0.00064 141 3S -0.00001 0.00000 0.00000 -0.00007 0.00029 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00001 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00003 144 4PZ 0.00000 0.00000 0.00001 0.00000 0.00000 91 92 93 94 95 91 6 C 1S 0.65853 92 2S 0.49202 0.48917 93 2PX 0.00000 0.00000 0.08844 94 2PY 0.00000 0.00000 0.00000 0.09048 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.06857 96 3S -0.02684 -0.05961 0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 0.07803 0.00000 0.00000 98 3PY 0.00000 0.00000 0.00000 0.07987 0.00000 99 3PZ 0.00000 0.00000 0.00000 0.00000 0.06551 100 4S -0.01194 -0.02032 0.00000 0.00000 0.00000 101 4PX 0.00000 0.00000 0.01490 0.00000 0.00000 102 4PY 0.00000 0.00000 0.00000 0.01396 0.00000 103 4PZ 0.00000 0.00000 0.00000 0.00000 0.02082 104 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 108 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S 0.00001 0.00002 -0.00005 -0.00021 0.00000 111 3S 0.00014 0.00023 -0.00010 -0.00074 0.00000 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S -0.00001 -0.00001 0.00007 0.00001 0.00000 118 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S -0.00001 -0.00001 0.00001 0.00008 0.00000 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00001 0.00002 -0.00003 -0.00024 0.00000 135 3S 0.00014 0.00023 -0.00014 -0.00071 0.00000 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00001 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S -0.00022 -0.00031 0.00643 0.00112 0.00000 140 2S -0.00229 -0.00390 0.01567 0.00274 0.00000 141 3S -0.00027 -0.00050 0.00281 0.00049 0.00000 142 4PX -0.00046 -0.00069 0.00133 0.00062 0.00000 143 4PY -0.00008 -0.00012 0.00062 0.00010 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00049 96 97 98 99 100 96 3S 0.42719 97 3PX 0.00000 0.17400 98 3PY 0.00000 0.00000 0.17833 99 3PZ 0.00000 0.00000 0.00000 0.15816 100 4S 0.19616 0.00000 0.00000 0.00000 0.17468 101 4PX 0.00000 0.06187 0.00000 0.00000 0.00000 102 4PY 0.00000 0.00000 0.05776 0.00000 0.00000 103 4PZ 0.00000 0.00000 0.00000 0.09377 0.00000 104 5D 0 0.00000 0.00000 0.00000 0.00000 0.00000 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 108 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 7 H 1S -0.00005 -0.00004 -0.00014 0.00000 -0.00164 110 2S -0.00110 -0.00053 -0.00210 0.00000 -0.00752 111 3S -0.00312 -0.00060 -0.00420 0.00000 -0.00801 112 4PX 0.00003 0.00003 0.00007 0.00000 0.00011 113 4PY 0.00001 0.00000 0.00010 0.00000 -0.00017 114 4PZ 0.00000 0.00000 0.00000 0.00004 0.00000 115 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 116 2S 0.00001 0.00002 0.00000 0.00000 0.00047 117 3S 0.00027 0.00054 0.00010 0.00000 0.00140 118 4PX 0.00000 0.00000 0.00000 0.00000 0.00001 119 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00002 123 3S -0.00001 -0.00002 0.00000 0.00000 -0.00002 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 128 2S 0.00001 0.00000 0.00002 0.00000 0.00047 129 3S 0.00027 0.00007 0.00056 0.00000 0.00140 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S -0.00005 -0.00001 -0.00017 0.00000 -0.00164 134 2S -0.00110 -0.00027 -0.00236 0.00000 -0.00752 135 3S -0.00312 -0.00077 -0.00402 0.00000 -0.00802 136 4PX -0.00002 0.00000 -0.00005 0.00000 -0.00010 137 4PY 0.00006 0.00001 0.00023 0.00000 0.00003 138 4PZ 0.00000 0.00000 0.00000 0.00004 0.00000 139 12 H 1S 0.01498 0.03341 0.00584 0.00000 0.01656 140 2S 0.04404 0.06154 0.01076 0.00000 0.04743 141 3S 0.00602 0.01375 0.00240 0.00000 0.01363 142 4PX 0.00509 0.00235 0.00148 0.00000 0.00191 143 4PY 0.00089 0.00148 0.00075 0.00000 0.00033 144 4PZ 0.00000 0.00000 0.00000 0.00222 0.00000 101 102 103 104 105 101 4PX 0.05496 102 4PY 0.00000 0.04790 103 4PZ 0.00000 0.00000 0.13221 104 5D 0 0.00000 0.00000 0.00000 0.00039 105 5D+1 0.00000 0.00000 0.00000 0.00000 0.00057 106 5D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 5D+2 0.00000 0.00000 0.00000 0.00000 0.00000 108 5D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 7 H 1S -0.00048 -0.00093 0.00000 0.00000 0.00000 110 2S -0.00164 -0.00408 0.00000 0.00000 0.00000 111 3S -0.00085 -0.00610 0.00000 -0.00001 0.00000 112 4PX -0.00003 0.00013 0.00000 0.00000 0.00000 113 4PY -0.00006 0.00017 0.00000 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00028 0.00000 0.00000 115 8 H 1S 0.00012 0.00003 0.00000 0.00000 0.00000 116 2S 0.00103 0.00021 0.00000 0.00000 0.00000 117 3S 0.00265 0.00051 0.00000 0.00000 0.00000 118 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 4PY 0.00001 0.00000 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 122 2S -0.00006 -0.00001 0.00000 0.00000 0.00000 123 3S -0.00041 -0.00007 0.00000 0.00000 0.00000 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00001 0.00014 0.00000 0.00000 0.00000 128 2S 0.00010 0.00113 0.00000 0.00000 0.00000 129 3S 0.00032 0.00284 0.00000 0.00000 0.00000 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00001 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00001 -0.00141 0.00000 0.00000 0.00000 134 2S -0.00022 -0.00549 0.00000 0.00000 0.00000 135 3S -0.00114 -0.00581 0.00000 -0.00001 0.00000 136 4PX -0.00006 -0.00012 0.00000 0.00000 0.00000 137 4PY 0.00002 0.00037 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00028 0.00000 0.00000 139 12 H 1S 0.01821 0.00318 0.00000 0.00043 0.00000 140 2S 0.04422 0.00773 0.00000 0.00037 0.00000 141 3S 0.01692 0.00296 0.00000 0.00001 0.00000 142 4PX -0.00012 0.00033 0.00000 0.00004 0.00000 143 4PY 0.00033 0.00051 0.00000 0.00001 0.00000 144 4PZ 0.00000 0.00000 0.00212 0.00000 -0.00014 106 107 108 109 110 106 5D-1 0.00111 107 5D+2 0.00000 0.00229 108 5D-2 0.00000 0.00000 0.00230 109 7 H 1S 0.00000 0.00004 0.00001 0.08060 110 2S 0.00000 0.00044 0.00011 0.08013 0.16031 111 3S 0.00000 0.00022 0.00000 0.01760 0.05372 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00001 0.00002 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 8 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00003 116 2S 0.00000 0.00000 0.00000 -0.00003 -0.00047 117 3S 0.00000 -0.00001 0.00001 -0.00042 -0.00191 118 4PX 0.00000 0.00000 0.00000 0.00000 -0.00001 119 4PY 0.00000 0.00000 0.00000 0.00000 -0.00001 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00001 0.00001 0.00000 -0.00005 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00000 0.00001 -0.00001 0.00000 0.00000 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00001 0.00004 0.00000 0.00000 134 2S 0.00000 0.00010 0.00044 0.00000 0.00000 135 3S 0.00000 0.00000 0.00022 0.00000 -0.00005 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00002 0.00002 0.00000 0.00000 138 4PZ 0.00001 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00143 0.00146 0.00000 -0.00003 140 2S 0.00000 0.00142 0.00146 -0.00003 -0.00047 141 3S 0.00000 0.00016 0.00016 -0.00042 -0.00192 142 4PX 0.00000 0.00001 0.00003 0.00000 0.00000 143 4PY 0.00000 -0.00009 -0.00011 0.00000 -0.00001 144 4PZ -0.00002 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 3S 0.03344 112 4PX 0.00000 0.00030 113 4PY 0.00000 0.00000 0.00124 114 4PZ 0.00000 0.00000 0.00000 0.00045 115 8 H 1S -0.00042 0.00000 0.00000 0.00000 0.08060 116 2S -0.00191 -0.00002 0.00000 0.00000 0.08013 117 3S -0.00276 -0.00009 -0.00001 0.00000 0.01760 118 4PX -0.00007 0.00000 0.00000 0.00000 0.00000 119 4PY -0.00002 0.00000 0.00000 0.00000 0.00000 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S -0.00005 0.00000 0.00000 0.00000 -0.00003 123 3S -0.00025 0.00000 0.00000 0.00000 -0.00042 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 0.00000 0.00000 129 3S 0.00007 0.00000 0.00000 0.00000 0.00000 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S -0.00005 0.00000 0.00000 0.00000 0.00000 135 3S -0.00025 0.00000 0.00000 0.00000 0.00000 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S -0.00042 0.00000 0.00000 0.00000 0.00000 140 2S -0.00192 -0.00002 0.00000 0.00000 0.00000 141 3S -0.00276 -0.00007 -0.00002 0.00000 0.00000 142 4PX -0.00005 0.00000 0.00000 0.00000 0.00000 143 4PY -0.00005 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 2S 0.16033 117 3S 0.05373 0.03346 118 4PX 0.00000 0.00000 0.00090 119 4PY 0.00000 0.00000 0.00000 0.00064 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00045 121 9 H 1S -0.00003 -0.00042 0.00000 0.00000 0.00000 122 2S -0.00047 -0.00192 0.00000 -0.00001 0.00000 123 3S -0.00192 -0.00276 0.00000 -0.00009 0.00000 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PY -0.00002 -0.00010 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 -0.00005 0.00000 0.00000 0.00000 129 3S -0.00005 -0.00025 0.00000 0.00000 0.00000 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3S 0.00000 0.00007 0.00000 0.00000 0.00000 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 -0.00005 0.00000 0.00000 0.00000 141 3S -0.00005 -0.00025 0.00000 0.00000 0.00000 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 9 H 1S 0.08060 122 2S 0.08013 0.16032 123 3S 0.01760 0.05372 0.03344 124 4PX 0.00000 0.00000 0.00000 0.00111 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00043 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 10 H 1S 0.00000 -0.00003 -0.00042 0.00000 0.00000 128 2S -0.00003 -0.00047 -0.00191 0.00000 -0.00001 129 3S -0.00042 -0.00191 -0.00275 -0.00005 -0.00005 130 4PX 0.00000 -0.00002 -0.00007 0.00000 0.00000 131 4PY 0.00000 0.00000 -0.00002 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 -0.00005 0.00000 0.00000 135 3S 0.00000 -0.00005 -0.00025 0.00000 0.00000 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S 0.00000 0.00000 0.00007 0.00000 0.00000 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 4PZ 0.00045 127 10 H 1S 0.00000 0.08060 128 2S 0.00000 0.08012 0.16031 129 3S 0.00000 0.01760 0.05372 0.03344 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00030 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11 H 1S 0.00000 0.00000 -0.00003 -0.00042 0.00000 134 2S 0.00000 -0.00003 -0.00047 -0.00191 -0.00002 135 3S 0.00000 -0.00042 -0.00191 -0.00276 -0.00009 136 4PX 0.00000 0.00000 -0.00001 -0.00007 0.00000 137 4PY 0.00000 0.00000 -0.00001 -0.00002 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 -0.00005 0.00000 141 3S 0.00000 0.00000 -0.00005 -0.00025 0.00000 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 133 134 135 131 4PY 0.00124 132 4PZ 0.00000 0.00045 133 11 H 1S 0.00000 0.00000 0.08059 134 2S 0.00000 0.00000 0.08013 0.16033 135 3S -0.00001 0.00000 0.01760 0.05374 0.03346 136 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 138 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12 H 1S 0.00000 0.00000 0.00000 -0.00003 -0.00042 140 2S 0.00000 0.00000 -0.00003 -0.00047 -0.00191 141 3S 0.00000 0.00000 -0.00042 -0.00191 -0.00276 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 -0.00002 -0.00010 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 137 138 139 140 136 4PX 0.00090 137 4PY 0.00000 0.00064 138 4PZ 0.00000 0.00000 0.00045 139 12 H 1S 0.00000 0.00000 0.00000 0.08060 140 2S 0.00000 -0.00001 0.00000 0.08013 0.16032 141 3S 0.00000 -0.00009 0.00000 0.01760 0.05372 142 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 141 3S 0.03344 142 4PX 0.00000 0.00111 143 4PY 0.00000 0.00000 0.00043 144 4PZ 0.00000 0.00000 0.00000 0.00045 Gross orbital populations: 1 1 1 C 1S 1.10328 2 2S 0.88543 3 2PX 0.24201 4 2PY 0.23180 5 2PZ 0.17351 6 3S 0.77133 7 3PX 0.52827 8 3PY 0.51610 9 3PZ 0.42021 10 4S 0.40593 11 4PX 0.15748 12 4PY 0.21470 13 4PZ 0.38637 14 5D 0 0.00377 15 5D+1 0.01055 16 5D-1 0.00362 17 5D+2 0.02274 18 5D-2 0.01737 19 2 C 1S 1.10328 20 2S 0.88543 21 2PX 0.23547 22 2PY 0.23835 23 2PZ 0.17351 24 3S 0.77134 25 3PX 0.52050 26 3PY 0.52386 27 3PZ 0.42022 28 4S 0.40584 29 4PX 0.19394 30 4PY 0.17816 31 4PZ 0.38632 32 5D 0 0.00376 33 5D+1 0.00613 34 5D-1 0.00804 35 5D+2 0.01741 36 5D-2 0.02270 37 3 C 1S 1.10328 38 2S 0.88543 39 2PX 0.23314 40 2PY 0.24063 41 2PZ 0.17350 42 3S 0.77134 43 3PX 0.51773 44 3PY 0.52662 45 3PZ 0.42020 46 4S 0.40598 47 4PX 0.20688 48 4PY 0.16529 49 4PZ 0.38636 50 5D 0 0.00377 51 5D+1 0.00457 52 5D-1 0.00960 53 5D+2 0.02000 54 5D-2 0.02010 55 4 C 1S 1.10328 56 2S 0.88543 57 2PX 0.24199 58 2PY 0.23176 59 2PZ 0.17350 60 3S 0.77134 61 3PX 0.52826 62 3PY 0.51608 63 3PZ 0.42019 64 4S 0.40601 65 4PX 0.15749 66 4PY 0.21475 67 4PZ 0.38640 68 5D 0 0.00376 69 5D+1 0.01055 70 5D-1 0.00362 71 5D+2 0.02272 72 5D-2 0.01738 73 5 C 1S 1.10328 74 2S 0.88543 75 2PX 0.23551 76 2PY 0.23827 77 2PZ 0.17351 78 3S 0.77135 79 3PX 0.52050 80 3PY 0.52384 81 3PZ 0.42022 82 4S 0.40589 83 4PX 0.19387 84 4PY 0.17823 85 4PZ 0.38633 86 5D 0 0.00376 87 5D+1 0.00614 88 5D-1 0.00803 89 5D+2 0.01742 90 5D-2 0.02269 91 6 C 1S 1.10328 92 2S 0.88543 93 2PX 0.23322 94 2PY 0.24060 95 2PZ 0.17351 96 3S 0.77133 97 3PX 0.51778 98 3PY 0.52660 99 3PZ 0.42021 100 4S 0.40592 101 4PX 0.20683 102 4PY 0.16532 103 4PZ 0.38634 104 5D 0 0.00377 105 5D+1 0.00457 106 5D-1 0.00960 107 5D+2 0.02002 108 5D-2 0.02009 109 7 H 1S 0.27392 110 2S 0.49049 111 3S 0.11667 112 4PX 0.00429 113 4PY 0.01446 114 4PZ 0.00576 115 8 H 1S 0.27391 116 2S 0.49051 117 3S 0.11668 118 4PX 0.01077 119 4PY 0.00798 120 4PZ 0.00576 121 9 H 1S 0.27390 122 2S 0.49050 123 3S 0.11669 124 4PX 0.01306 125 4PY 0.00568 126 4PZ 0.00576 127 10 H 1S 0.27390 128 2S 0.49049 129 3S 0.11668 130 4PX 0.00429 131 4PY 0.01446 132 4PZ 0.00576 133 11 H 1S 0.27388 134 2S 0.49052 135 3S 0.11671 136 4PX 0.01077 137 4PY 0.00798 138 4PZ 0.00576 139 12 H 1S 0.27392 140 2S 0.49050 141 3S 0.11667 142 4PX 0.01307 143 4PY 0.00568 144 4PZ 0.00576 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.861241 0.520482 -0.057588 -0.036095 -0.057607 0.520717 2 C 0.520482 4.861031 0.520734 -0.057594 -0.036090 -0.057597 3 C -0.057588 0.520734 4.861279 0.520395 -0.057582 -0.036097 4 C -0.036095 -0.057594 0.520395 4.861333 0.520738 -0.057577 5 C -0.057607 -0.036090 -0.057582 0.520738 4.861077 0.520450 6 C 0.520717 -0.057597 -0.036097 -0.057577 0.520450 4.861215 7 H 0.413465 -0.042252 0.007475 -0.000578 0.007478 -0.042255 8 H -0.042277 0.413442 -0.042262 0.007477 -0.000578 0.007479 9 H 0.007477 -0.042240 0.413447 -0.042258 0.007472 -0.000578 10 H -0.000578 0.007476 -0.042269 0.413448 -0.042231 0.007474 11 H 0.007479 -0.000579 0.007476 -0.042257 0.413428 -0.042278 12 H -0.042249 0.007478 -0.000578 0.007475 -0.042257 0.413461 7 8 9 10 11 12 1 C 0.413465 -0.042277 0.007477 -0.000578 0.007479 -0.042249 2 C -0.042252 0.413442 -0.042240 0.007476 -0.000579 0.007478 3 C 0.007475 -0.042262 0.413447 -0.042269 0.007476 -0.000578 4 C -0.000578 0.007477 -0.042258 0.413448 -0.042257 0.007475 5 C 0.007478 -0.000578 0.007472 -0.042231 0.413428 -0.042257 6 C -0.042255 0.007479 -0.000578 0.007474 -0.042278 0.413461 7 H 0.579235 -0.008171 -0.000352 0.000075 -0.000352 -0.008176 8 H -0.008171 0.579310 -0.008177 -0.000352 0.000075 -0.000352 9 H -0.000352 -0.008177 0.579243 -0.008161 -0.000352 0.000075 10 H 0.000075 -0.000352 -0.008161 0.579216 -0.008171 -0.000352 11 H -0.000352 0.000075 -0.000352 -0.008171 0.579315 -0.008171 12 H -0.008176 -0.000352 0.000075 -0.000352 -0.008171 0.579252 Mulliken atomic charges: 1 1 C -0.094466 2 C -0.094291 3 C -0.094430 4 C -0.094506 5 C -0.094297 6 C -0.094415 7 H 0.094407 8 H 0.094385 9 H 0.094404 10 H 0.094426 11 H 0.094388 12 H 0.094395 Sum of Mulliken atomic charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.000058 2 C 0.000094 3 C -0.000026 4 C -0.000080 5 C 0.000091 6 C -0.000020 Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000 APT atomic charges: 1 1 C -0.025121 2 C -0.025123 3 C -0.025072 4 C -0.025112 5 C -0.025090 6 C -0.025090 7 H 0.025132 8 H 0.025053 9 H 0.025122 10 H 0.025139 11 H 0.025047 12 H 0.025117 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 C 0.000011 2 C -0.000071 3 C 0.000050 4 C 0.000027 5 C -0.000044 6 C 0.000027 7 H 0.000000 8 H 0.000000 9 H 0.000000 10 H 0.000000 11 H 0.000000 12 H 0.000000 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 460.5174 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= -0.0002 Z= 0.0008 Tot= 0.0008 Quadrupole moment (field-independent basis, Debye-Ang): XX= -31.9085 YY= -31.9091 ZZ= -39.7345 XY= 0.0011 XZ= 0.0055 YZ= -0.0037 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.6088 YY= 2.6083 ZZ= -5.2171 XY= 0.0011 XZ= 0.0055 YZ= -0.0037 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -0.0044 YYY= -0.0033 ZZZ= 0.0011 XYY= 0.0047 XXY= 0.0019 XXZ= 0.0039 XZZ= -0.0002 YZZ= -0.0012 YYZ= 0.0029 XYZ= 0.0015 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -274.7504 YYYY= -274.7385 ZZZZ= -45.1033 XXXY= 0.0047 XXXZ= -0.0311 YYYX= 0.0070 YYYZ= 0.0421 ZZZX= -0.0681 ZZZY= 0.0676 XXYY= -91.5836 XXZZ= -63.4492 YYZZ= -63.4476 XXYZ= 0.0099 YYXZ= -0.0087 ZZXY= 0.0001 N-N= 2.030307306120D+02 E-N=-9.445983405300D+02 KE= 2.311216219117D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -10.177093 15.954639 2 O -10.176861 15.952637 3 O -10.176855 15.952625 4 O -10.176314 15.955843 5 O -10.176304 15.955836 6 O -10.176041 15.956912 7 O -0.855913 1.492341 8 O -0.747104 1.610769 9 O -0.747070 1.610604 10 O -0.603156 1.477219 11 O -0.603114 1.477051 12 O -0.523739 0.948954 13 O -0.459690 1.293492 14 O -0.450006 1.490383 15 O -0.422969 1.215653 16 O -0.422955 1.215654 17 O -0.369920 0.943035 18 O -0.346605 1.400782 19 O -0.346531 1.400744 20 O -0.256728 1.127847 21 O -0.256693 1.127790 22 V -0.009967 1.345946 23 V -0.009913 1.345928 24 V 0.039404 0.620995 25 V 0.075216 0.601238 26 V 0.075228 0.601217 27 V 0.109454 0.709256 28 V 0.109459 0.709212 29 V 0.133838 0.760433 30 V 0.147484 1.613742 31 V 0.267012 1.320763 32 V 0.267059 1.320549 33 V 0.281783 1.345291 34 V 0.281855 1.345006 35 V 0.300670 1.039609 36 V 0.342437 0.954728 37 V 0.389765 1.281998 38 V 0.401206 1.349179 39 V 0.401234 1.349130 40 V 0.419302 2.040876 41 V 0.434467 1.651804 42 V 0.434510 1.651843 43 V 0.445853 1.298424 44 V 0.445866 1.298510 45 V 0.449890 1.659250 46 V 0.524468 1.534630 47 V 0.524501 1.534747 48 V 0.533348 1.695107 49 V 0.598234 1.783638 50 V 0.598268 1.783826 51 V 0.602095 2.154721 52 V 0.602134 2.088328 53 V 0.602151 1.732509 54 V 0.651969 1.841490 55 V 0.682941 1.885794 56 V 0.726574 2.177174 57 V 0.726652 2.177004 58 V 0.738846 1.969795 59 V 0.738865 1.970063 60 V 0.794676 2.794078 61 V 0.839022 2.616068 62 V 0.850727 1.813537 63 V 0.850792 1.812987 64 V 0.935654 1.787926 65 V 1.002732 1.832574 66 V 1.002795 1.832562 67 V 1.013766 1.972991 68 V 1.079635 1.933086 69 V 1.079654 1.933081 70 V 1.140825 2.045177 71 V 1.140856 2.045184 72 V 1.235961 2.533449 73 V 1.258382 2.141017 74 V 1.406537 2.359346 75 V 1.442400 2.571043 76 V 1.442417 2.570965 77 V 1.485957 2.586161 78 V 1.546466 2.279903 79 V 1.550954 2.511112 80 V 1.550980 2.511163 81 V 1.577858 2.710853 82 V 1.577885 2.710726 83 V 1.641365 2.543798 84 V 1.641436 2.543835 85 V 1.700903 2.465686 86 V 1.735933 2.781794 87 V 1.736000 2.782056 88 V 1.764492 2.580812 89 V 1.764534 2.581024 90 V 1.834817 2.609508 91 V 1.890933 3.360714 92 V 1.898175 3.417277 93 V 1.898199 3.417308 94 V 1.915847 3.088017 95 V 1.918443 3.196660 96 V 1.918577 3.196705 97 V 1.978583 3.834668 98 V 1.978683 3.835103 99 V 2.068162 2.946175 100 V 2.068223 2.946268 101 V 2.187684 4.391313 102 V 2.281725 4.718197 103 V 2.281737 4.717932 104 V 2.301640 3.484880 105 V 2.345488 3.383206 106 V 2.374019 3.794012 107 V 2.374074 3.793911 108 V 2.553051 6.244876 109 V 2.573735 3.989950 110 V 2.584647 4.088259 111 V 2.584776 4.087918 112 V 2.618335 3.969774 113 V 2.618368 3.970308 114 V 2.640110 3.922882 115 V 2.647756 3.897526 116 V 2.647787 3.897623 117 V 2.686748 4.261440 118 V 2.709697 6.090544 119 V 2.709726 6.090454 120 V 2.836744 6.318588 121 V 2.836770 6.318560 122 V 2.881892 4.915832 123 V 2.881985 4.915846 124 V 2.887158 4.667601 125 V 3.042718 6.313565 126 V 3.060724 7.100131 127 V 3.316894 7.184159 128 V 3.317114 7.184454 129 V 3.446697 6.794130 130 V 3.452935 6.937732 131 V 3.453090 6.937702 132 V 3.645100 5.556988 133 V 3.936894 6.733448 134 V 3.936956 6.733602 135 V 4.057177 7.083349 136 V 4.096755 7.109881 137 V 4.096790 7.110106 138 V 4.832774 7.766167 139 V 23.489441 60.214377 140 V 23.928721 60.379782 141 V 23.929143 60.380008 142 V 24.080780 60.389626 143 V 24.081211 60.389868 144 V 24.185099 60.401753 Total kinetic energy from orbitals= 2.311216219118D+02 Exact polarizability: 75.797 0.001 75.794 0.023 -0.022 28.280 Approx polarizability: 124.777 0.004 124.778 0.035 -0.038 42.994 ******************************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: ben_frequency Storage needed: 62868 in NPA, 83538 in NBO ( 917503184 available) NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 C 1 S Cor( 1S) 1.99909 -10.03573 2 C 1 S Val( 2S) 0.94979 -0.15262 3 C 1 S Ryd( 3S) 0.00141 0.92726 4 C 1 S Ryd( 4S) 0.00001 23.15567 5 C 1 px Val( 2p) 1.07028 -0.04619 6 C 1 px Ryd( 3p) 0.00379 0.97253 7 C 1 px Ryd( 4p) 0.00011 2.93442 8 C 1 py Val( 2p) 1.16910 -0.05278 9 C 1 py Ryd( 3p) 0.00692 1.27256 10 C 1 py Ryd( 4p) 0.00009 2.77052 11 C 1 pz Val( 2p) 0.99811 -0.10559 12 C 1 pz Ryd( 3p) 0.00077 0.62948 13 C 1 pz Ryd( 4p) 0.00004 2.56576 14 C 1 dxy Ryd( 3d) 0.00074 2.58847 15 C 1 dxz Ryd( 3d) 0.00051 1.67512 16 C 1 dyz Ryd( 3d) 0.00039 1.60737 17 C 1 dx2y2 Ryd( 3d) 0.00080 2.48382 18 C 1 dz2 Ryd( 3d) 0.00045 2.07597 19 C 2 S Cor( 1S) 1.99909 -10.03571 20 C 2 S Val( 2S) 0.94976 -0.15259 21 C 2 S Ryd( 3S) 0.00141 0.92726 22 C 2 S Ryd( 4S) 0.00001 23.15546 23 C 2 px Val( 2p) 1.13317 -0.05039 24 C 2 px Ryd( 3p) 0.00578 1.16343 25 C 2 px Ryd( 4p) 0.00010 2.82998 26 C 2 py Val( 2p) 1.10629 -0.04861 27 C 2 py Ryd( 3p) 0.00492 1.08167 28 C 2 py Ryd( 4p) 0.00010 2.87511 29 C 2 pz Val( 2p) 0.99811 -0.10558 30 C 2 pz Ryd( 3p) 0.00077 0.62949 31 C 2 pz Ryd( 4p) 0.00004 2.56578 32 C 2 dxy Ryd( 3d) 0.00080 2.48474 33 C 2 dxz Ryd( 3d) 0.00043 1.63184 34 C 2 dyz Ryd( 3d) 0.00047 1.65070 35 C 2 dx2y2 Ryd( 3d) 0.00074 2.58767 36 C 2 dz2 Ryd( 3d) 0.00045 2.07598 37 C 3 S Cor( 1S) 1.99909 -10.03578 38 C 3 S Val( 2S) 0.94985 -0.15270 39 C 3 S Ryd( 3S) 0.00141 0.92712 40 C 3 S Ryd( 4S) 0.00001 23.15608 41 C 3 px Val( 2p) 1.15545 -0.05189 42 C 3 px Ryd( 3p) 0.00649 1.23103 43 C 3 px Ryd( 4p) 0.00009 2.79319 44 C 3 py Val( 2p) 1.08388 -0.04711 45 C 3 py Ryd( 3p) 0.00422 1.01341 46 C 3 py Ryd( 4p) 0.00011 2.91237 47 C 3 pz Val( 2p) 0.99811 -0.10560 48 C 3 pz Ryd( 3p) 0.00077 0.62941 49 C 3 pz Ryd( 4p) 0.00004 2.56582 50 C 3 dxy Ryd( 3d) 0.00077 2.53492 51 C 3 dxz Ryd( 3d) 0.00040 1.61647 52 C 3 dyz Ryd( 3d) 0.00050 1.66590 53 C 3 dx2y2 Ryd( 3d) 0.00077 2.53688 54 C 3 dz2 Ryd( 3d) 0.00045 2.07584 55 C 4 S Cor( 1S) 1.99909 -10.03581 56 C 4 S Val( 2S) 0.94988 -0.15273 57 C 4 S Ryd( 3S) 0.00141 0.92710 58 C 4 S Ryd( 4S) 0.00001 23.15620 59 C 4 px Val( 2p) 1.07027 -0.04621 60 C 4 px Ryd( 3p) 0.00379 0.97210 61 C 4 px Ryd( 4p) 0.00011 2.93493 62 C 4 py Val( 2p) 1.16903 -0.05279 63 C 4 py Ryd( 3p) 0.00692 1.27205 64 C 4 py Ryd( 4p) 0.00009 2.77100 65 C 4 pz Val( 2p) 0.99811 -0.10560 66 C 4 pz Ryd( 3p) 0.00077 0.62934 67 C 4 pz Ryd( 4p) 0.00004 2.56586 68 C 4 dxy Ryd( 3d) 0.00074 2.58802 69 C 4 dxz Ryd( 3d) 0.00051 1.67506 70 C 4 dyz Ryd( 3d) 0.00039 1.60724 71 C 4 dx2y2 Ryd( 3d) 0.00080 2.48354 72 C 4 dz2 Ryd( 3d) 0.00045 2.07577 73 C 5 S Cor( 1S) 1.99909 -10.03575 74 C 5 S Val( 2S) 0.94981 -0.15265 75 C 5 S Ryd( 3S) 0.00141 0.92722 76 C 5 S Ryd( 4S) 0.00001 23.15572 77 C 5 px Val( 2p) 1.13333 -0.05043 78 C 5 px Ryd( 3p) 0.00578 1.16374 79 C 5 px Ryd( 4p) 0.00010 2.83030 80 C 5 py Val( 2p) 1.10609 -0.04859 81 C 5 py Ryd( 3p) 0.00492 1.08099 82 C 5 py Ryd( 4p) 0.00010 2.87521 83 C 5 pz Val( 2p) 0.99812 -0.10559 84 C 5 pz Ryd( 3p) 0.00077 0.62946 85 C 5 pz Ryd( 4p) 0.00004 2.56580 86 C 5 dxy Ryd( 3d) 0.00080 2.48455 87 C 5 dxz Ryd( 3d) 0.00043 1.63200 88 C 5 dyz Ryd( 3d) 0.00047 1.65044 89 C 5 dx2y2 Ryd( 3d) 0.00074 2.58748 90 C 5 dz2 Ryd( 3d) 0.00045 2.07594 91 C 6 S Cor( 1S) 1.99909 -10.03572 92 C 6 S Val( 2S) 0.94978 -0.15261 93 C 6 S Ryd( 3S) 0.00141 0.92721 94 C 6 S Ryd( 4S) 0.00001 23.15566 95 C 6 px Val( 2p) 1.15559 -0.05188 96 C 6 px Ryd( 3p) 0.00649 1.23143 97 C 6 px Ryd( 4p) 0.00009 2.79306 98 C 6 py Val( 2p) 1.08382 -0.04710 99 C 6 py Ryd( 3p) 0.00422 1.01355 100 C 6 py Ryd( 4p) 0.00011 2.91197 101 C 6 pz Val( 2p) 0.99810 -0.10558 102 C 6 pz Ryd( 3p) 0.00077 0.62947 103 C 6 pz Ryd( 4p) 0.00004 2.56578 104 C 6 dxy Ryd( 3d) 0.00077 2.53539 105 C 6 dxz Ryd( 3d) 0.00040 1.61670 106 C 6 dyz Ryd( 3d) 0.00049 1.66579 107 C 6 dx2y2 Ryd( 3d) 0.00077 2.53691 108 C 6 dz2 Ryd( 3d) 0.00045 2.07593 109 H 7 S Val( 1S) 0.79510 0.04680 110 H 7 S Ryd( 2S) 0.00155 0.41012 111 H 7 S Ryd( 3S) 0.00016 2.25914 112 H 7 px Ryd( 2p) 0.00012 1.97538 113 H 7 py Ryd( 2p) 0.00046 2.65690 114 H 7 pz Ryd( 2p) 0.00018 1.58708 115 H 8 S Val( 1S) 0.79511 0.04677 116 H 8 S Ryd( 2S) 0.00155 0.41002 117 H 8 S Ryd( 3S) 0.00016 2.25924 118 H 8 px Ryd( 2p) 0.00034 2.40929 119 H 8 py Ryd( 2p) 0.00024 2.22286 120 H 8 pz Ryd( 2p) 0.00018 1.58707 121 H 9 S Val( 1S) 0.79509 0.04676 122 H 9 S Ryd( 2S) 0.00155 0.41005 123 H 9 S Ryd( 3S) 0.00016 2.25915 124 H 9 px Ryd( 2p) 0.00042 2.56325 125 H 9 py Ryd( 2p) 0.00016 2.06877 126 H 9 pz Ryd( 2p) 0.00018 1.58704 127 H 10 S Val( 1S) 0.79509 0.04677 128 H 10 S Ryd( 2S) 0.00155 0.41005 129 H 10 S Ryd( 3S) 0.00016 2.25913 130 H 10 px Ryd( 2p) 0.00012 1.97529 131 H 10 py Ryd( 2p) 0.00046 2.65667 132 H 10 pz Ryd( 2p) 0.00018 1.58703 133 H 11 S Val( 1S) 0.79509 0.04671 134 H 11 S Ryd( 2S) 0.00155 0.40994 135 H 11 S Ryd( 3S) 0.00016 2.25926 136 H 11 px Ryd( 2p) 0.00034 2.40955 137 H 11 py Ryd( 2p) 0.00024 2.22232 138 H 11 pz Ryd( 2p) 0.00018 1.58701 139 H 12 S Val( 1S) 0.79510 0.04680 140 H 12 S Ryd( 2S) 0.00155 0.41011 141 H 12 S Ryd( 3S) 0.00016 2.25915 142 H 12 px Ryd( 2p) 0.00042 2.56350 143 H 12 py Ryd( 2p) 0.00016 2.06877 144 H 12 pz Ryd( 2p) 0.00018 1.58709 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- C 1 -0.20240 1.99909 4.18728 0.01603 6.20240 C 2 -0.20246 1.99909 4.18734 0.01603 6.20246 C 3 -0.20242 1.99909 4.18730 0.01603 6.20242 C 4 -0.20241 1.99909 4.18729 0.01603 6.20241 C 5 -0.20247 1.99909 4.18735 0.01603 6.20247 C 6 -0.20242 1.99909 4.18730 0.01603 6.20242 H 7 0.20242 0.00000 0.79510 0.00248 0.79758 H 8 0.20242 0.00000 0.79511 0.00248 0.79758 H 9 0.20244 0.00000 0.79509 0.00248 0.79756 H 10 0.20244 0.00000 0.79509 0.00247 0.79756 H 11 0.20244 0.00000 0.79509 0.00248 0.79756 H 12 0.20242 0.00000 0.79510 0.00248 0.79758 ======================================================================= * Total * 0.00000 11.99454 29.89443 0.11103 42.00000 Natural Population -------------------------------------------------------- Core 11.99454 ( 99.9545% of 12) Valence 29.89443 ( 99.6481% of 30) Natural Minimal Basis 41.88897 ( 99.7356% of 42) Natural Rydberg Basis 0.11103 ( 0.2644% of 42) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2S( 0.95)2p( 3.24)3p( 0.01) C 2 [core]2S( 0.95)2p( 3.24)3p( 0.01) C 3 [core]2S( 0.95)2p( 3.24)3p( 0.01) C 4 [core]2S( 0.95)2p( 3.24)3p( 0.01) C 5 [core]2S( 0.95)2p( 3.24)3p( 0.01) C 6 [core]2S( 0.95)2p( 3.24)3p( 0.01) H 7 1S( 0.80) H 8 1S( 0.80) H 9 1S( 0.80) H 10 1S( 0.80) H 11 1S( 0.80) H 12 1S( 0.80) 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 38.74169 3.25831 6 12 0 3 3 3 0.44 2(2) 1.90 38.74169 3.25831 6 12 0 3 3 3 0.44 3(1) 1.80 38.74169 3.25831 6 12 0 3 3 3 0.44 4(2) 1.80 38.74169 3.25831 6 12 0 3 3 3 0.44 5(1) 1.70 38.74169 3.25831 6 12 0 3 3 3 0.44 6(2) 1.70 38.74169 3.25831 6 12 0 3 3 3 0.44 7(1) 1.60 40.74065 1.25935 6 15 0 0 0 3 0.44 8(2) 1.60 40.07354 1.92646 6 14 0 1 1 3 0.44 9(3) 1.60 40.74065 1.25935 6 15 0 0 0 3 0.44 10(1) 1.50 40.74065 1.25935 6 15 0 0 0 3 0.44 11(2) 1.50 40.07354 1.92646 6 14 0 1 1 3 0.44 12(3) 1.50 40.74065 1.25935 6 15 0 0 0 3 0.44 13(1) 1.60 40.74065 1.25935 6 15 0 0 0 3 0.44 ----------------------------------------------------------------------------- Structure accepted: RESONANCE keyword permits strongly delocalized structure -------------------------------------------------------- Core 11.99456 ( 99.955% of 12) Valence Lewis 28.74609 ( 95.820% of 30) ================== ============================ Total Lewis 40.74065 ( 97.002% of 42) ----------------------------------------------------- Valence non-Lewis 1.18861 ( 2.830% of 42) Rydberg non-Lewis 0.07074 ( 0.168% of 42) ================== ============================ Total non-Lewis 1.25935 ( 2.998% of 42) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.97908) BD ( 1) C 1 - C 2 ( 50.00%) 0.7071* C 1 s( 36.27%)p 1.76( 63.69%)d 0.00( 0.05%) 0.0001 0.6021 0.0131 0.0003 0.7474 -0.0290 0.0010 0.2764 0.0321 0.0004 -0.0001 0.0000 0.0000 0.0145 0.0000 0.0000 0.0106 -0.0115 ( 50.00%) 0.7071* C 2 s( 36.27%)p 1.76( 63.69%)d 0.00( 0.05%) 0.0001 0.6021 0.0131 0.0003 -0.7217 -0.0025 -0.0009 -0.3379 0.0432 -0.0004 -0.0002 0.0000 0.0000 0.0108 0.0000 0.0000 0.0143 -0.0115 2. (1.97910) BD ( 1) C 1 - C 6 ( 50.00%) 0.7071* C 1 s( 36.28%)p 1.76( 63.67%)d 0.00( 0.05%) 0.0001 0.6022 0.0131 0.0003 -0.6535 0.0362 -0.0009 0.4559 0.0238 0.0006 -0.0004 0.0000 0.0000 -0.0178 0.0000 0.0000 0.0022 -0.0115 ( 50.00%) 0.7071* C 6 s( 36.28%)p 1.75( 63.67%)d 0.00( 0.05%) 0.0001 0.6022 0.0131 0.0003 0.6130 0.0133 0.0008 -0.5090 0.0412 -0.0007 0.0005 0.0000 0.0000 -0.0164 0.0000 0.0000 0.0073 -0.0115 3. (1.66487) BD ( 2) C 1 - C 6 ( 50.00%) 0.7071* C 1 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0005 0.0000 0.0000 0.9997 0.0093 0.0044 0.0000 -0.0072 0.0197 0.0000 0.0000 ( 50.00%) 0.7071* C 6 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0001 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0007 0.0000 0.0000 0.9997 0.0093 0.0044 0.0000 0.0209 -0.0017 0.0000 0.0000 4. (1.97946) BD ( 1) C 1 - H 7 ( 60.27%) 0.7763* C 1 s( 27.44%)p 2.64( 72.51%)d 0.00( 0.05%) 0.0004 -0.5233 0.0235 0.0005 0.1082 0.0023 -0.0006 0.8444 0.0178 -0.0049 -0.0004 0.0000 0.0000 -0.0048 0.0000 0.0000 0.0182 0.0120 ( 39.73%) 0.6303* H 7 s( 99.95%)p 0.00( 0.05%) -0.9998 -0.0002 -0.0010 -0.0028 -0.0218 0.0000 5. (1.97911) BD ( 1) C 2 - C 3 ( 50.00%) 0.7071* C 2 s( 36.29%)p 1.75( 63.67%)d 0.00( 0.05%) 0.0001 0.6023 0.0131 0.0003 0.1344 -0.0423 0.0002 0.7853 -0.0091 0.0010 -0.0001 0.0000 0.0000 0.0019 0.0000 0.0000 -0.0179 -0.0115 ( 50.00%) 0.7071* C 3 s( 36.29%)p 1.75( 63.67%)d 0.00( 0.05%) 0.0001 0.6022 0.0131 0.0003 -0.0682 -0.0387 -0.0001 -0.7938 0.0195 -0.0011 0.0000 0.0000 0.0000 0.0070 0.0000 0.0000 -0.0165 -0.0115 6. (1.66496) BD ( 2) C 2 - C 3 ( 50.00%) 0.7071* C 2 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 -0.0003 0.0000 0.0000 -0.0007 0.0000 0.0000 0.0005 0.0000 0.0000 0.9997 0.0093 0.0044 0.0000 -0.0089 0.0190 0.0000 0.0000 ( 50.00%) 0.7071* C 3 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0002 0.0000 0.0000 -0.0008 0.0000 0.0000 0.0002 0.0000 0.0000 0.9997 0.0093 0.0044 0.0000 -0.0134 -0.0161 0.0000 0.0000 7. (1.97945) BD ( 1) C 2 - H 8 ( 60.27%) 0.7763* C 2 s( 27.43%)p 2.64( 72.52%)d 0.00( 0.05%) -0.0004 0.5232 -0.0235 -0.0005 0.6771 0.0142 -0.0039 -0.5161 -0.0109 0.0030 0.0008 0.0000 0.0000 -0.0182 0.0000 0.0000 0.0050 -0.0120 ( 39.73%) 0.6303* H 8 s( 99.95%)p 0.00( 0.05%) 0.9998 0.0002 0.0010 -0.0175 0.0133 0.0000 8. (1.97908) BD ( 1) C 3 - C 4 ( 50.00%) 0.7071* C 3 s( 36.26%)p 1.76( 63.70%)d 0.00( 0.05%) 0.0001 0.6020 0.0131 0.0003 -0.6131 -0.0133 -0.0008 0.5091 -0.0412 0.0007 -0.0007 0.0000 0.0000 -0.0164 0.0000 0.0000 0.0073 -0.0115 ( 50.00%) 0.7071* C 4 s( 36.26%)p 1.76( 63.70%)d 0.00( 0.05%) 0.0001 0.6020 0.0131 0.0003 0.6535 -0.0362 0.0009 -0.4560 -0.0238 -0.0006 0.0007 0.0000 0.0000 -0.0178 0.0000 0.0000 0.0022 -0.0115 9. (1.97947) BD ( 1) C 3 - H 9 ( 60.27%) 0.7764* C 3 s( 27.44%)p 2.64( 72.51%)d 0.00( 0.05%) -0.0004 0.5233 -0.0235 -0.0005 0.7854 0.0165 -0.0045 0.3285 0.0069 -0.0019 0.0005 0.0000 0.0000 0.0134 0.0000 0.0000 0.0132 -0.0120 ( 39.73%) 0.6303* H 9 s( 99.95%)p 0.00( 0.05%) 0.9998 0.0002 0.0010 -0.0203 -0.0085 0.0000 10. (1.97911) BD ( 1) C 4 - C 5 ( 50.00%) 0.7071* C 4 s( 36.29%)p 1.75( 63.67%)d 0.00( 0.05%) 0.0001 0.6023 0.0131 0.0003 -0.7473 0.0291 -0.0010 -0.2764 -0.0321 -0.0004 -0.0004 0.0000 0.0000 0.0145 0.0000 0.0000 0.0106 -0.0115 ( 50.00%) 0.7071* C 5 s( 36.29%)p 1.75( 63.67%)d 0.00( 0.05%) 0.0001 0.6022 0.0131 0.0003 0.7215 0.0025 0.0010 0.3380 -0.0432 0.0005 0.0001 0.0000 0.0000 0.0108 0.0000 0.0000 0.0144 -0.0115 11. (1.66494) BD ( 2) C 4 - C 5 ( 50.00%) 0.7071* C 4 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 -0.0008 0.0000 0.0000 0.0004 0.0000 0.0000 0.9997 0.0093 0.0044 0.0000 -0.0119 -0.0172 0.0000 0.0000 ( 50.00%) 0.7071* C 5 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 -0.0005 0.0000 0.0000 0.0007 0.0000 0.0000 0.9997 0.0093 0.0044 0.0000 0.0207 -0.0036 0.0000 0.0000 12. (1.97948) BD ( 1) C 4 - H 10 ( 60.27%) 0.7764* C 4 s( 27.44%)p 2.64( 72.51%)d 0.00( 0.05%) -0.0004 0.5233 -0.0235 -0.0005 0.1084 0.0023 -0.0006 0.8444 0.0178 -0.0049 -0.0002 0.0000 0.0000 0.0048 0.0000 0.0000 -0.0182 -0.0120 ( 39.73%) 0.6303* H 10 s( 99.95%)p 0.00( 0.05%) 0.9998 0.0002 0.0010 -0.0028 -0.0218 0.0000 13. (1.97908) BD ( 1) C 5 - C 6 ( 50.00%) 0.7071* C 5 s( 36.27%)p 1.76( 63.68%)d 0.00( 0.05%) 0.0001 0.6021 0.0131 0.0003 -0.1343 0.0423 -0.0002 -0.7855 0.0091 -0.0010 0.0005 0.0000 0.0000 0.0019 0.0000 0.0000 -0.0178 -0.0115 ( 50.00%) 0.7071* C 6 s( 36.27%)p 1.76( 63.69%)d 0.00( 0.05%) 0.0001 0.6021 0.0131 0.0003 0.0682 0.0387 0.0001 0.7939 -0.0194 0.0010 -0.0006 0.0000 0.0000 0.0070 0.0000 0.0000 -0.0165 -0.0115 14. (1.97946) BD ( 1) C 5 - H 11 ( 60.27%) 0.7764* C 5 s( 27.43%)p 2.64( 72.52%)d 0.00( 0.05%) 0.0004 -0.5232 0.0236 0.0005 0.6773 0.0143 -0.0039 -0.5159 -0.0109 0.0030 0.0007 0.0000 0.0000 0.0182 0.0000 0.0000 -0.0050 0.0120 ( 39.73%) 0.6303* H 11 s( 99.95%)p 0.00( 0.05%) -0.9998 -0.0002 -0.0010 -0.0175 0.0133 0.0000 15. (1.97946) BD ( 1) C 6 - H 12 ( 60.27%) 0.7763* C 6 s( 27.44%)p 2.64( 72.51%)d 0.00( 0.05%) 0.0004 -0.5233 0.0235 0.0005 0.7855 0.0165 -0.0045 0.3284 0.0069 -0.0019 0.0001 0.0000 0.0000 -0.0134 0.0000 0.0000 -0.0132 0.0120 ( 39.73%) 0.6303* H 12 s( 99.95%)p 0.00( 0.05%) -0.9998 -0.0002 -0.0010 -0.0203 -0.0085 0.0000 16. (1.99909) CR ( 1) C 1 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. (1.99909) CR ( 1) C 2 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0003 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 18. (1.99909) CR ( 1) C 3 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0004 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 19. (1.99909) CR ( 1) C 4 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. (1.99909) CR ( 1) C 5 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 -0.0003 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 21. (1.99909) CR ( 1) C 6 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 -0.0004 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 22. (0.00593) RY*( 1) C 1 s( 0.98%)p95.96( 93.69%)d 5.46( 5.34%) 0.0000 0.0220 0.0963 0.0025 0.0047 -0.1227 -0.0069 0.0363 -0.9579 -0.0533 0.0000 0.0005 0.0000 0.0565 0.0000 -0.0001 -0.2166 -0.0570 23. (0.00184) RY*( 2) C 1 s( 0.00%)p 1.00( 99.32%)d 0.01( 0.68%) 0.0000 0.0000 0.0005 0.0000 0.0433 0.9666 -0.2024 -0.0056 -0.1238 0.0260 0.0000 -0.0006 -0.0001 0.0797 -0.0002 0.0002 0.0210 0.0000 24. (0.00073) RY*( 3) C 1 s( 0.00%)p 1.00( 81.47%)d 0.23( 18.53%) 0.0000 0.0000 0.0003 0.0000 0.0000 0.0008 0.0001 0.0000 0.0004 -0.0001 -0.0001 0.8933 0.1293 0.0000 0.2316 -0.3629 0.0000 0.0006 25. (0.00060) RY*( 4) C 1 s( 0.00%)p 1.00( 6.71%)d13.89( 93.29%) 0.0000 0.0000 0.0022 -0.0003 0.0000 0.0000 -0.0002 -0.0001 0.0002 -0.0006 0.0101 -0.2562 -0.0372 0.0006 0.9654 -0.0280 -0.0003 0.0004 26. (0.00035) RY*( 5) C 1 s( 92.91%)p 0.02( 2.03%)d 0.05( 5.05%) 0.0000 -0.0084 0.9591 -0.0954 -0.0044 0.0097 -0.0143 -0.0340 0.0798 -0.1118 0.0000 0.0003 0.0001 -0.0333 -0.0021 -0.0001 0.1276 -0.1821 27. (0.00013) RY*( 6) C 1 s( 0.00%)p 1.00( 0.79%)d99.99( 99.21%) 0.0000 0.0000 0.0002 0.0003 0.0269 0.0740 -0.0398 -0.0034 -0.0093 0.0057 0.0000 -0.0003 0.0000 -0.9637 0.0004 -0.0004 -0.2519 0.0003 28. (0.00008) RY*( 7) C 1 s( 15.97%)p 2.13( 34.10%)d 3.13( 49.93%) 29. (0.00004) RY*( 8) C 1 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 30. (0.00002) RY*( 9) C 1 s( 9.86%)p 2.35( 23.20%)d 6.79( 66.93%) 31. (0.00000) RY*(10) C 1 s( 58.38%)p 0.01( 0.40%)d 0.71( 41.22%) 32. (0.00000) RY*(11) C 1 s( 0.00%)p 1.00( 12.08%)d 7.28( 87.92%) 33. (0.00000) RY*(12) C 1 s( 0.00%)p 1.00( 99.78%)d 0.00( 0.22%) 34. (0.00000) RY*(13) C 1 s( 21.90%)p 2.13( 46.65%)d 1.44( 31.45%) 35. (0.00593) RY*( 1) C 2 s( 0.98%)p95.93( 93.69%)d 5.46( 5.34%) 0.0000 0.0220 0.0963 0.0025 -0.0292 0.7681 0.0428 0.0222 -0.5854 -0.0325 0.0000 0.0008 0.0000 -0.2159 0.0001 0.0000 0.0593 -0.0570 36. (0.00184) RY*( 2) C 2 s( 0.00%)p 1.00( 99.32%)d 0.01( 0.68%) 0.0000 0.0000 0.0007 0.0000 -0.0265 -0.5907 0.1235 -0.0348 -0.7751 0.1623 0.0000 -0.0004 0.0000 0.0221 -0.0001 0.0001 0.0794 0.0000 37. (0.00073) RY*( 3) C 2 s( 0.00%)p 1.00( 81.32%)d 0.23( 18.68%) 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0008 -0.0004 0.0000 0.0001 0.0004 0.0000 0.8925 0.1292 0.0001 0.0937 -0.4219 -0.0002 0.0000 38. (0.00060) RY*( 4) C 2 s( 0.00%)p 1.00( 6.86%)d13.58( 93.14%) 0.0000 0.0000 0.0007 -0.0001 0.0000 0.0002 0.0002 0.0000 0.0000 -0.0002 0.0101 -0.2590 -0.0376 0.0002 -0.6585 -0.7055 0.0003 0.0001 39. (0.00035) RY*( 5) C 2 s( 92.92%)p 0.02( 2.03%)d 0.05( 5.05%) 0.0000 -0.0084 0.9592 -0.0953 0.0273 -0.0635 0.0895 -0.0208 0.0493 -0.0682 0.0000 0.0001 0.0001 0.1271 0.0006 0.0005 -0.0349 -0.1819 40. (0.00013) RY*( 6) C 2 s( 0.00%)p 1.00( 0.79%)d99.99( 99.21%) 0.0000 0.0000 0.0005 0.0004 -0.0164 -0.0453 0.0242 -0.0215 -0.0591 0.0329 0.0000 -0.0002 -0.0001 -0.2650 -0.0004 0.0000 -0.9601 0.0006 41. (0.00008) RY*( 7) C 2 s( 15.98%)p 2.14( 34.13%)d 3.12( 49.90%) 42. (0.00003) RY*( 8) C 2 s( 7.10%)p 6.28( 44.63%)d 6.79( 48.27%) 43. (0.00003) RY*( 9) C 2 s( 2.75%)p28.53( 78.48%)d 6.82( 18.77%) 44. (0.00000) RY*(10) C 2 s( 0.00%)p 1.00( 12.02%)d 7.32( 87.98%) 45. (0.00000) RY*(11) C 2 s( 0.00%)p 1.00( 99.84%)d 0.00( 0.16%) 46. (0.00000) RY*(12) C 2 s( 61.93%)p 0.01( 0.60%)d 0.60( 37.47%) 47. (0.00000) RY*(13) C 2 s( 18.35%)p 2.53( 46.46%)d 1.92( 35.19%) 48. (0.00592) RY*( 1) C 3 s( 0.98%)p95.92( 93.69%)d 5.46( 5.34%) 0.0000 0.0220 0.0963 0.0025 -0.0338 0.8909 0.0496 -0.0141 0.3727 0.0208 0.0000 0.0003 0.0000 0.1594 0.0002 0.0001 0.1572 -0.0570 49. (0.00184) RY*( 2) C 3 s( 0.00%)p 1.00( 99.32%)d 0.01( 0.68%) 0.0000 -0.0001 0.0010 0.0000 -0.0168 -0.3761 0.0785 0.0403 0.8990 -0.1883 0.0000 -0.0001 0.0001 -0.0581 0.0003 -0.0004 0.0585 -0.0001 50. (0.00073) RY*( 3) C 3 s( 0.00%)p 1.00( 81.26%)d 0.23( 18.74%) 0.0000 0.0000 0.0002 -0.0001 0.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 -0.8922 -0.1291 0.0003 -0.1963 -0.3858 0.0001 -0.0004 51. (0.00060) RY*( 4) C 3 s( 0.00%)p 1.00( 6.92%)d13.45( 93.08%) 0.0000 0.0000 0.0009 -0.0001 0.0000 -0.0001 0.0002 0.0000 -0.0004 0.0002 -0.0101 0.2602 0.0379 0.0009 0.4597 -0.8482 -0.0002 0.0011 52. (0.00035) RY*( 5) C 3 s( 92.91%)p 0.02( 2.03%)d 0.05( 5.06%) 0.0000 -0.0084 0.9591 -0.0954 0.0316 -0.0737 0.1040 0.0132 -0.0320 0.0434 0.0000 -0.0001 0.0001 -0.0941 -0.0002 0.0007 -0.0925 -0.1821 53. (0.00013) RY*( 6) C 3 s( 0.00%)p 1.00( 0.79%)d99.99( 99.21%) 0.0000 0.0000 0.0009 0.0007 -0.0104 -0.0290 0.0143 0.0250 0.0687 -0.0381 0.0000 0.0001 0.0000 0.7003 -0.0007 0.0005 -0.7082 0.0011 54. (0.00008) RY*( 7) C 3 s( 15.97%)p 2.13( 34.10%)d 3.13( 49.92%) 55. (0.00004) RY*( 8) C 3 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 56. (0.00002) RY*( 9) C 3 s( 9.86%)p 2.35( 23.20%)d 6.79( 66.94%) 57. (0.00000) RY*(10) C 3 s( 0.00%)p 1.00( 12.05%)d 7.30( 87.95%) 58. (0.00000) RY*(11) C 3 s( 0.00%)p 1.00( 99.81%)d 0.00( 0.19%) 59. (0.00000) RY*(12) C 3 s( 61.58%)p 0.01( 0.57%)d 0.61( 37.85%) 60. (0.00000) RY*(13) C 3 s( 18.71%)p 2.48( 46.48%)d 1.86( 34.81%) 61. (0.00592) RY*( 1) C 4 s( 0.98%)p95.70( 93.68%)d 5.45( 5.34%) 0.0000 0.0220 0.0964 0.0025 -0.0046 0.1229 0.0068 -0.0363 0.9579 0.0533 0.0000 -0.0003 0.0000 0.0566 -0.0001 -0.0001 -0.2166 -0.0570 62. (0.00184) RY*( 2) C 4 s( 0.00%)p 1.00( 99.32%)d 0.01( 0.68%) 0.0000 0.0000 0.0009 0.0000 0.0433 0.9666 -0.2024 -0.0055 -0.1241 0.0258 0.0000 0.0015 -0.0001 -0.0799 0.0001 0.0001 -0.0206 0.0000 63. (0.00073) RY*( 3) C 4 s( 0.00%)p 1.00( 81.31%)d 0.23( 18.69%) 0.0000 0.0000 0.0005 -0.0001 0.0001 0.0014 0.0000 0.0000 -0.0005 0.0002 0.0000 -0.8924 -0.1291 0.0005 -0.3188 -0.2919 0.0005 0.0000 64. (0.00060) RY*( 4) C 4 s( 0.00%)p 1.00( 6.87%)d13.55( 93.13%) 0.0000 0.0000 0.0013 -0.0003 0.0000 -0.0004 0.0001 0.0000 0.0000 0.0003 -0.0101 0.2592 0.0377 -0.0008 -0.9401 0.2177 0.0007 -0.0011 65. (0.00035) RY*( 5) C 4 s( 92.90%)p 0.02( 2.04%)d 0.05( 5.06%) 0.0000 -0.0084 0.9591 -0.0954 0.0044 -0.0112 0.0143 0.0340 -0.0797 0.1118 0.0000 0.0002 0.0000 -0.0337 0.0018 -0.0003 0.1276 -0.1821 66. (0.00013) RY*( 6) C 4 s( 0.00%)p 1.00( 0.80%)d99.99( 99.20%) 0.0000 0.0000 0.0009 0.0006 0.0269 0.0740 -0.0404 -0.0034 -0.0098 0.0041 0.0000 0.0004 0.0001 0.9640 -0.0002 0.0013 0.2503 0.0009 67. (0.00008) RY*( 7) C 4 s( 15.97%)p 2.13( 34.10%)d 3.13( 49.93%) 68. (0.00004) RY*( 8) C 4 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 69. (0.00002) RY*( 9) C 4 s( 9.86%)p 2.35( 23.21%)d 6.79( 66.93%) 70. (0.00000) RY*(10) C 4 s( 58.40%)p 0.01( 0.40%)d 0.71( 41.20%) 71. (0.00000) RY*(11) C 4 s( 0.00%)p 1.00( 12.07%)d 7.28( 87.93%) 72. (0.00000) RY*(12) C 4 s( 0.00%)p 1.00( 99.79%)d 0.00( 0.21%) 73. (0.00000) RY*(13) C 4 s( 21.90%)p 2.13( 46.65%)d 1.44( 31.46%) 74. (0.00593) RY*( 1) C 5 s( 0.98%)p95.86( 93.69%)d 5.46( 5.34%) 0.0000 0.0220 0.0963 0.0025 0.0291 -0.7682 -0.0427 -0.0222 0.5852 0.0327 0.0000 -0.0005 0.0000 -0.2158 0.0003 -0.0001 0.0595 -0.0570 75. (0.00184) RY*( 2) C 5 s( 0.00%)p 1.00( 99.32%)d 0.01( 0.68%) 0.0000 0.0000 0.0006 0.0000 -0.0265 -0.5905 0.1236 -0.0347 -0.7753 0.1621 0.0000 0.0007 0.0000 -0.0217 0.0000 0.0000 -0.0795 0.0000 76. (0.00073) RY*( 3) C 5 s( 0.00%)p 1.00( 81.36%)d 0.23( 18.64%) 0.0000 0.0000 0.0007 -0.0001 0.0000 0.0001 -0.0002 0.0000 -0.0009 0.0000 0.0000 -0.8927 -0.1292 0.0002 0.4313 0.0210 -0.0001 0.0004 77. (0.00060) RY*( 4) C 5 s( 0.00%)p 1.00( 6.82%)d13.65( 93.18%) 0.0000 0.0000 0.0010 -0.0001 0.0000 0.0002 -0.0002 0.0000 0.0002 0.0002 -0.0101 0.2583 0.0374 -0.0002 0.5059 0.8221 -0.0010 -0.0005 78. (0.00035) RY*( 5) C 5 s( 92.92%)p 0.02( 2.03%)d 0.05( 5.05%) 0.0000 -0.0084 0.9592 -0.0953 -0.0273 0.0643 -0.0895 0.0208 -0.0482 0.0681 0.0000 0.0003 -0.0001 0.1271 -0.0009 -0.0009 -0.0349 -0.1819 79. (0.00013) RY*( 6) C 5 s( 0.00%)p 1.00( 0.80%)d99.99( 99.20%) 0.0000 0.0000 0.0001 0.0002 -0.0164 -0.0450 0.0252 -0.0215 -0.0593 0.0324 0.0000 0.0002 0.0000 0.2640 0.0005 0.0009 0.9604 0.0003 80. (0.00008) RY*( 7) C 5 s( 15.97%)p 2.14( 34.13%)d 3.12( 49.90%) 81. (0.00003) RY*( 8) C 5 s( 7.12%)p 6.24( 44.42%)d 6.81( 48.46%) 82. (0.00003) RY*( 9) C 5 s( 2.73%)p28.82( 78.68%)d 6.81( 18.59%) 83. (0.00000) RY*(10) C 5 s( 0.00%)p 1.00( 12.09%)d 7.27( 87.91%) 84. (0.00000) RY*(11) C 5 s( 0.00%)p 1.00( 99.78%)d 0.00( 0.22%) 85. (0.00000) RY*(12) C 5 s( 62.03%)p 0.01( 0.61%)d 0.60( 37.36%) 86. (0.00000) RY*(13) C 5 s( 18.26%)p 2.54( 46.45%)d 1.93( 35.29%) 87. (0.00593) RY*( 1) C 6 s( 0.98%)p96.01( 93.69%)d 5.47( 5.34%) 0.0000 0.0220 0.0963 0.0025 0.0338 -0.8910 -0.0496 0.0142 -0.3725 -0.0208 0.0000 -0.0002 0.0000 0.1594 -0.0001 0.0001 0.1572 -0.0570 88. (0.00184) RY*( 2) C 6 s( 0.00%)p 1.00( 99.32%)d 0.01( 0.68%) 0.0000 0.0000 0.0006 0.0000 -0.0169 -0.3759 0.0788 0.0403 0.8991 -0.1882 0.0000 -0.0011 0.0001 0.0577 0.0000 0.0000 -0.0588 0.0000 89. (0.00073) RY*( 3) C 6 s( 0.00%)p 1.00( 81.45%)d 0.23( 18.55%) 0.0000 0.0000 0.0002 0.0000 0.0000 0.0006 0.0003 0.0000 -0.0009 0.0001 0.0001 -0.8932 -0.1293 0.0004 0.4114 -0.1273 -0.0001 0.0002 90. (0.00060) RY*( 4) C 6 s( 0.00%)p 1.00( 6.73%)d13.85( 93.27%) 0.0000 0.0000 0.0008 -0.0001 0.0000 0.0003 0.0000 0.0000 -0.0003 -0.0002 0.0101 -0.2566 -0.0372 -0.0002 -0.2831 0.9233 -0.0009 -0.0011 91. (0.00035) RY*( 5) C 6 s( 92.91%)p 0.02( 2.03%)d 0.05( 5.06%) 0.0000 -0.0084 0.9591 -0.0954 -0.0316 0.0743 -0.1040 -0.0132 0.0304 -0.0434 0.0000 0.0005 0.0000 -0.0938 0.0004 -0.0010 -0.0928 -0.1821 92. (0.00013) RY*( 6) C 6 s( 0.00%)p 1.00( 0.79%)d99.99( 99.21%) 0.0000 0.0000 0.0004 0.0002 -0.0104 -0.0286 0.0162 0.0250 0.0688 -0.0371 0.0000 -0.0002 0.0000 -0.6990 0.0007 0.0007 0.7095 0.0001 93. (0.00008) RY*( 7) C 6 s( 15.98%)p 2.13( 34.10%)d 3.12( 49.92%) 94. (0.00004) RY*( 8) C 6 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 95. (0.00002) RY*( 9) C 6 s( 9.87%)p 2.35( 23.20%)d 6.78( 66.93%) 96. (0.00000) RY*(10) C 6 s( 0.00%)p 1.00( 12.09%)d 7.27( 87.91%) 97. (0.00000) RY*(11) C 6 s( 0.00%)p 1.00( 99.77%)d 0.00( 0.23%) 98. (0.00000) RY*(12) C 6 s( 61.56%)p 0.01( 0.57%)d 0.62( 37.87%) 99. (0.00000) RY*(13) C 6 s( 18.72%)p 2.48( 46.48%)d 1.86( 34.80%) 100. (0.00158) RY*( 1) H 7 s( 98.23%)p 0.02( 1.77%) 0.0027 0.9911 0.0013 -0.0168 -0.1319 0.0000 101. (0.00018) RY*( 2) H 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0022 -0.0008 -0.0006 -1.0000 102. (0.00016) RY*( 3) H 7 s( 99.13%)p 0.01( 0.87%) 0.0010 -0.0138 0.9955 -0.0128 -0.0923 0.0022 103. (0.00011) RY*( 4) H 7 s( 0.00%)p 1.00(100.00%) 0.0000 -0.0001 0.0010 0.9919 -0.1272 -0.0007 104. (0.00003) RY*( 5) H 7 s( 2.68%)p36.25( 97.32%) 105. (0.00158) RY*( 1) H 8 s( 98.23%)p 0.02( 1.77%) 0.0027 0.9911 0.0013 0.1057 -0.0806 0.0000 106. (0.00018) RY*( 2) H 8 s( 0.03%)p99.99( 99.97%) 0.0000 -0.0001 0.0166 0.0004 -0.0007 0.9999 107. (0.00016) RY*( 3) H 8 s( 99.10%)p 0.01( 0.90%) 0.0010 -0.0138 0.9954 0.0738 -0.0570 -0.0166 108. (0.00011) RY*( 4) H 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0006 0.6063 0.7952 0.0003 109. (0.00003) RY*( 5) H 8 s( 2.68%)p36.27( 97.32%) 110. (0.00158) RY*( 1) H 9 s( 98.23%)p 0.02( 1.77%) 0.0027 0.9911 0.0013 0.1227 0.0514 -0.0001 111. (0.00018) RY*( 2) H 9 s( 0.00%)p 1.00(100.00%) 0.0000 -0.0002 0.0036 0.0007 0.0002 -1.0000 112. (0.00016) RY*( 3) H 9 s( 99.13%)p 0.01( 0.87%) 0.0010 -0.0138 0.9955 0.0863 0.0349 0.0036 113. (0.00011) RY*( 4) H 9 s( 0.00%)p 1.00(100.00%) 0.0000 -0.0001 0.0011 -0.3857 0.9226 0.0000 114. (0.00003) RY*( 5) H 9 s( 2.68%)p36.25( 97.32%) 115. (0.00158) RY*( 1) H 10 s( 98.23%)p 0.02( 1.77%) 0.0027 0.9911 0.0013 0.0168 0.1319 -0.0001 116. (0.00018) RY*( 2) H 10 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0069 -0.0011 0.0011 1.0000 117. (0.00016) RY*( 3) H 10 s( 99.13%)p 0.01( 0.87%) 0.0010 -0.0138 0.9955 0.0133 0.0922 -0.0069 118. (0.00011) RY*( 4) H 10 s( 0.00%)p 1.00(100.00%) 0.0000 -0.0001 0.0014 -0.9919 0.1273 -0.0013 119. (0.00003) RY*( 5) H 10 s( 2.68%)p36.26( 97.32%) 120. (0.00158) RY*( 1) H 11 s( 98.23%)p 0.02( 1.77%) 0.0027 0.9911 0.0013 -0.1058 0.0806 0.0000 121. (0.00018) RY*( 2) H 11 s( 0.00%)p 1.00(100.00%) 0.0000 -0.0001 0.0005 -0.0001 0.0010 1.0000 122. (0.00016) RY*( 3) H 11 s( 99.13%)p 0.01( 0.87%) 0.0010 -0.0138 0.9955 -0.0746 0.0559 -0.0006 123. (0.00011) RY*( 4) H 11 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0008 0.6060 0.7955 -0.0007 124. (0.00003) RY*( 5) H 11 s( 2.68%)p36.25( 97.32%) 125. (0.00158) RY*( 1) H 12 s( 98.23%)p 0.02( 1.77%) 0.0027 0.9911 0.0013 -0.1227 -0.0513 -0.0001 126. (0.00018) RY*( 2) H 12 s( 0.00%)p 1.00(100.00%) 0.0000 -0.0001 0.0044 0.0003 -0.0010 -1.0000 127. (0.00016) RY*( 3) H 12 s( 99.13%)p 0.01( 0.87%) 0.0010 -0.0138 0.9955 -0.0859 -0.0360 0.0043 128. (0.00011) RY*( 4) H 12 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 -0.3857 0.9226 -0.0010 129. (0.00003) RY*( 5) H 12 s( 2.68%)p36.26( 97.32%) 130. (0.01700) BD*( 1) C 1 - C 2 ( 50.00%) 0.7071* C 1 s( 36.27%)p 1.76( 63.69%)d 0.00( 0.05%) 0.0001 0.6021 0.0131 0.0003 0.7474 -0.0290 0.0010 0.2764 0.0321 0.0004 -0.0001 0.0000 0.0000 0.0145 0.0000 0.0000 0.0106 -0.0115 ( 50.00%) -0.7071* C 2 s( 36.27%)p 1.76( 63.69%)d 0.00( 0.05%) 0.0001 0.6021 0.0131 0.0003 -0.7217 -0.0025 -0.0009 -0.3379 0.0432 -0.0004 -0.0002 0.0000 0.0000 0.0108 0.0000 0.0000 0.0143 -0.0115 131. (0.01698) BD*( 1) C 1 - C 6 ( 50.00%) 0.7071* C 1 s( 36.28%)p 1.76( 63.67%)d 0.00( 0.05%) 0.0001 0.6022 0.0131 0.0003 -0.6535 0.0362 -0.0009 0.4559 0.0238 0.0006 -0.0004 0.0000 0.0000 -0.0178 0.0000 0.0000 0.0022 -0.0115 ( 50.00%) -0.7071* C 6 s( 36.28%)p 1.75( 63.67%)d 0.00( 0.05%) 0.0001 0.6022 0.0131 0.0003 0.6130 0.0133 0.0008 -0.5090 0.0412 -0.0007 0.0005 0.0000 0.0000 -0.0164 0.0000 0.0000 0.0073 -0.0115 132. (0.33210) BD*( 2) C 1 - C 6 ( 50.00%) 0.7071* C 1 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0005 0.0000 0.0000 -0.9997 -0.0093 -0.0044 0.0000 0.0072 -0.0197 0.0000 0.0000 ( 50.00%) -0.7071* C 6 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 -0.0001 0.0000 0.0000 0.0003 0.0000 0.0000 -0.0007 0.0000 0.0000 -0.9997 -0.0093 -0.0044 0.0000 -0.0209 0.0017 0.0000 0.0000 133. (0.01508) BD*( 1) C 1 - H 7 ( 39.73%) 0.6303* C 1 s( 27.44%)p 2.64( 72.51%)d 0.00( 0.05%) -0.0004 0.5233 -0.0235 -0.0005 -0.1082 -0.0023 0.0006 -0.8444 -0.0178 0.0049 0.0004 0.0000 0.0000 0.0048 0.0000 0.0000 -0.0182 -0.0120 ( 60.27%) -0.7763* H 7 s( 99.95%)p 0.00( 0.05%) 0.9998 0.0002 0.0010 0.0028 0.0218 0.0000 134. (0.01697) BD*( 1) C 2 - C 3 ( 50.00%) 0.7071* C 2 s( 36.29%)p 1.75( 63.67%)d 0.00( 0.05%) -0.0001 -0.6023 -0.0131 -0.0003 -0.1344 0.0423 -0.0002 -0.7853 0.0091 -0.0010 0.0001 0.0000 0.0000 -0.0019 0.0000 0.0000 0.0179 0.0115 ( 50.00%) -0.7071* C 3 s( 36.29%)p 1.75( 63.67%)d 0.00( 0.05%) -0.0001 -0.6022 -0.0131 -0.0003 0.0682 0.0387 0.0001 0.7938 -0.0195 0.0011 0.0000 0.0000 0.0000 -0.0070 0.0000 0.0000 0.0165 0.0115 135. (0.33202) BD*( 2) C 2 - C 3 ( 50.00%) 0.7071* C 2 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0003 0.0000 0.0000 0.0007 0.0000 0.0000 -0.0005 0.0000 0.0000 -0.9997 -0.0093 -0.0044 0.0000 0.0089 -0.0190 0.0000 0.0000 ( 50.00%) -0.7071* C 3 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 -0.0002 0.0000 0.0000 0.0008 0.0000 0.0000 -0.0002 0.0000 0.0000 -0.9997 -0.0093 -0.0044 0.0000 0.0134 0.0161 0.0000 0.0000 136. (0.01510) BD*( 1) C 2 - H 8 ( 39.73%) 0.6303* C 2 s( 27.43%)p 2.64( 72.52%)d 0.00( 0.05%) 0.0004 -0.5232 0.0235 0.0005 -0.6771 -0.0142 0.0039 0.5161 0.0109 -0.0030 -0.0008 0.0000 0.0000 0.0182 0.0000 0.0000 -0.0050 0.0120 ( 60.27%) -0.7763* H 8 s( 99.95%)p 0.00( 0.05%) -0.9998 -0.0002 -0.0010 0.0175 -0.0133 0.0000 137. (0.01699) BD*( 1) C 3 - C 4 ( 50.00%) 0.7071* C 3 s( 36.26%)p 1.76( 63.70%)d 0.00( 0.05%) -0.0001 -0.6020 -0.0131 -0.0003 0.6131 0.0133 0.0008 -0.5091 0.0412 -0.0007 0.0007 0.0000 0.0000 0.0164 0.0000 0.0000 -0.0073 0.0115 ( 50.00%) -0.7071* C 4 s( 36.26%)p 1.76( 63.70%)d 0.00( 0.05%) -0.0001 -0.6020 -0.0131 -0.0003 -0.6535 0.0362 -0.0009 0.4560 0.0238 0.0006 -0.0007 0.0000 0.0000 0.0178 0.0000 0.0000 -0.0022 0.0115 138. (0.01508) BD*( 1) C 3 - H 9 ( 39.73%) 0.6303* C 3 s( 27.44%)p 2.64( 72.51%)d 0.00( 0.05%) 0.0004 -0.5233 0.0235 0.0005 -0.7854 -0.0165 0.0045 -0.3285 -0.0069 0.0019 -0.0005 0.0000 0.0000 -0.0134 0.0000 0.0000 -0.0132 0.0120 ( 60.27%) -0.7764* H 9 s( 99.95%)p 0.00( 0.05%) -0.9998 -0.0002 -0.0010 0.0203 0.0085 0.0000 139. (0.01697) BD*( 1) C 4 - C 5 ( 50.00%) 0.7071* C 4 s( 36.29%)p 1.75( 63.67%)d 0.00( 0.05%) 0.0001 0.6023 0.0131 0.0003 -0.7473 0.0291 -0.0010 -0.2764 -0.0321 -0.0004 -0.0004 0.0000 0.0000 0.0145 0.0000 0.0000 0.0106 -0.0115 ( 50.00%) -0.7071* C 5 s( 36.29%)p 1.75( 63.67%)d 0.00( 0.05%) 0.0001 0.6022 0.0131 0.0003 0.7215 0.0025 0.0010 0.3380 -0.0432 0.0005 0.0001 0.0000 0.0000 0.0108 0.0000 0.0000 0.0144 -0.0115 140. (0.33206) BD*( 2) C 4 - C 5 ( 50.00%) 0.7071* C 4 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 -0.0008 0.0000 0.0000 0.0004 0.0000 0.0000 0.9997 0.0093 0.0044 0.0000 -0.0119 -0.0172 0.0000 0.0000 ( 50.00%) -0.7071* C 5 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 -0.0005 0.0000 0.0000 0.0007 0.0000 0.0000 0.9997 0.0093 0.0044 0.0000 0.0207 -0.0036 0.0000 0.0000 141. (0.01508) BD*( 1) C 4 - H 10 ( 39.73%) 0.6303* C 4 s( 27.44%)p 2.64( 72.51%)d 0.00( 0.05%) 0.0004 -0.5233 0.0235 0.0005 -0.1084 -0.0023 0.0006 -0.8444 -0.0178 0.0049 0.0002 0.0000 0.0000 -0.0048 0.0000 0.0000 0.0182 0.0120 ( 60.27%) -0.7764* H 10 s( 99.95%)p 0.00( 0.05%) -0.9998 -0.0002 -0.0010 0.0028 0.0218 0.0000 142. (0.01699) BD*( 1) C 5 - C 6 ( 50.00%) 0.7071* C 5 s( 36.27%)p 1.76( 63.68%)d 0.00( 0.05%) 0.0001 0.6021 0.0131 0.0003 -0.1343 0.0423 -0.0002 -0.7855 0.0091 -0.0010 0.0005 0.0000 0.0000 0.0019 0.0000 0.0000 -0.0178 -0.0115 ( 50.00%) -0.7071* C 6 s( 36.27%)p 1.76( 63.69%)d 0.00( 0.05%) 0.0001 0.6021 0.0131 0.0003 0.0682 0.0387 0.0001 0.7939 -0.0194 0.0010 -0.0006 0.0000 0.0000 0.0070 0.0000 0.0000 -0.0165 -0.0115 143. (0.01510) BD*( 1) C 5 - H 11 ( 39.73%) 0.6303* C 5 s( 27.43%)p 2.64( 72.52%)d 0.00( 0.05%) -0.0004 0.5232 -0.0236 -0.0005 -0.6773 -0.0143 0.0039 0.5159 0.0109 -0.0030 -0.0007 0.0000 0.0000 -0.0182 0.0000 0.0000 0.0050 -0.0120 ( 60.27%) -0.7764* H 11 s( 99.95%)p 0.00( 0.05%) 0.9998 0.0002 0.0010 0.0175 -0.0133 0.0000 144. (0.01509) BD*( 1) C 6 - H 12 ( 39.73%) 0.6303* C 6 s( 27.44%)p 2.64( 72.51%)d 0.00( 0.05%) -0.0004 0.5233 -0.0235 -0.0005 -0.7855 -0.0165 0.0045 -0.3284 -0.0069 0.0019 -0.0001 0.0000 0.0000 0.0134 0.0000 0.0000 0.0132 -0.0120 ( 60.27%) -0.7763* H 12 s( 99.95%)p 0.00( 0.05%) 0.9998 0.0002 0.0010 0.0203 0.0085 0.0000 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 ======================================================================================== 3. BD ( 2) C 1 - C 6 90.0 142.7 0.0 0.0 90.0 0.0 0.0 90.0 6. BD ( 2) C 2 - C 3 90.0 82.7 180.0 0.0 90.0 0.0 0.0 90.0 11. BD ( 2) C 4 - C 5 90.0 202.7 0.0 0.0 90.0 0.0 0.0 90.0 132. BD*( 2) C 1 - C 6 90.0 142.7 0.0 0.0 90.0 0.0 0.0 90.0 135. BD*( 2) C 2 - C 3 90.0 82.7 180.0 0.0 90.0 0.0 0.0 90.0 140. BD*( 2) C 4 - C 5 90.0 202.7 0.0 0.0 90.0 0.0 0.0 90.0 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) C 1 - C 2 / 48. RY*( 1) C 3 0.91 2.00 0.038 1. BD ( 1) C 1 - C 2 / 49. RY*( 2) C 3 1.30 2.13 0.047 1. BD ( 1) C 1 - C 2 / 87. RY*( 1) C 6 0.91 2.00 0.038 1. BD ( 1) C 1 - C 2 / 88. RY*( 2) C 6 1.30 2.13 0.047 1. BD ( 1) C 1 - C 2 /131. BD*( 1) C 1 - C 6 3.04 1.27 0.056 1. BD ( 1) C 1 - C 2 /133. BD*( 1) C 1 - H 7 1.02 1.12 0.030 1. BD ( 1) C 1 - C 2 /134. BD*( 1) C 2 - C 3 3.05 1.27 0.056 1. BD ( 1) C 1 - C 2 /136. BD*( 1) C 2 - H 8 1.01 1.12 0.030 1. BD ( 1) C 1 - C 2 /138. BD*( 1) C 3 - H 9 2.48 1.12 0.047 1. BD ( 1) C 1 - C 2 /144. BD*( 1) C 6 - H 12 2.48 1.12 0.047 2. BD ( 1) C 1 - C 6 / 35. RY*( 1) C 2 0.91 2.00 0.038 2. BD ( 1) C 1 - C 6 / 36. RY*( 2) C 2 1.30 2.14 0.047 2. BD ( 1) C 1 - C 6 / 74. RY*( 1) C 5 0.91 2.00 0.038 2. BD ( 1) C 1 - C 6 / 75. RY*( 2) C 5 1.30 2.13 0.047 2. BD ( 1) C 1 - C 6 /130. BD*( 1) C 1 - C 2 3.04 1.27 0.056 2. BD ( 1) C 1 - C 6 /133. BD*( 1) C 1 - H 7 1.02 1.12 0.030 2. BD ( 1) C 1 - C 6 /136. BD*( 1) C 2 - H 8 2.47 1.12 0.047 2. BD ( 1) C 1 - C 6 /142. BD*( 1) C 5 - C 6 3.04 1.27 0.056 2. BD ( 1) C 1 - C 6 /143. BD*( 1) C 5 - H 11 2.47 1.12 0.047 2. BD ( 1) C 1 - C 6 /144. BD*( 1) C 6 - H 12 1.02 1.12 0.030 3. BD ( 2) C 1 - C 6 / 37. RY*( 3) C 2 0.79 0.95 0.027 3. BD ( 2) C 1 - C 6 / 38. RY*( 4) C 2 0.66 1.84 0.034 3. BD ( 2) C 1 - C 6 / 76. RY*( 3) C 5 0.79 0.94 0.027 3. BD ( 2) C 1 - C 6 / 77. RY*( 4) C 5 0.66 1.84 0.034 3. BD ( 2) C 1 - C 6 /135. BD*( 2) C 2 - C 3 20.61 0.28 0.068 3. BD ( 2) C 1 - C 6 /140. BD*( 2) C 4 - C 5 20.61 0.28 0.068 4. BD ( 1) C 1 - H 7 / 35. RY*( 1) C 2 1.51 1.81 0.047 4. BD ( 1) C 1 - H 7 / 87. RY*( 1) C 6 1.51 1.81 0.047 4. BD ( 1) C 1 - H 7 /130. BD*( 1) C 1 - C 2 0.54 1.09 0.022 4. BD ( 1) C 1 - H 7 /131. BD*( 1) C 1 - C 6 0.55 1.09 0.022 4. BD ( 1) C 1 - H 7 /134. BD*( 1) C 2 - C 3 3.88 1.09 0.058 4. BD ( 1) C 1 - H 7 /136. BD*( 1) C 2 - H 8 0.65 0.93 0.022 4. BD ( 1) C 1 - H 7 /142. BD*( 1) C 5 - C 6 3.88 1.09 0.058 4. BD ( 1) C 1 - H 7 /144. BD*( 1) C 6 - H 12 0.65 0.93 0.022 5. BD ( 1) C 2 - C 3 / 22. RY*( 1) C 1 0.91 2.00 0.038 5. BD ( 1) C 2 - C 3 / 23. RY*( 2) C 1 1.30 2.14 0.047 5. BD ( 1) C 2 - C 3 / 61. RY*( 1) C 4 0.91 2.00 0.038 5. BD ( 1) C 2 - C 3 / 62. RY*( 2) C 4 1.30 2.13 0.047 5. BD ( 1) C 2 - C 3 /130. BD*( 1) C 1 - C 2 3.04 1.27 0.056 5. BD ( 1) C 2 - C 3 /133. BD*( 1) C 1 - H 7 2.47 1.12 0.047 5. BD ( 1) C 2 - C 3 /136. BD*( 1) C 2 - H 8 1.02 1.12 0.030 5. BD ( 1) C 2 - C 3 /137. BD*( 1) C 3 - C 4 3.04 1.27 0.056 5. BD ( 1) C 2 - C 3 /138. BD*( 1) C 3 - H 9 1.02 1.12 0.030 5. BD ( 1) C 2 - C 3 /141. BD*( 1) C 4 - H 10 2.47 1.12 0.047 6. BD ( 2) C 2 - C 3 / 24. RY*( 3) C 1 0.80 0.94 0.027 6. BD ( 2) C 2 - C 3 / 25. RY*( 4) C 1 0.66 1.84 0.034 6. BD ( 2) C 2 - C 3 / 63. RY*( 3) C 4 0.79 0.95 0.027 6. BD ( 2) C 2 - C 3 / 64. RY*( 4) C 4 0.66 1.84 0.034 6. BD ( 2) C 2 - C 3 /132. BD*( 2) C 1 - C 6 20.61 0.28 0.068 6. BD ( 2) C 2 - C 3 /140. BD*( 2) C 4 - C 5 20.59 0.28 0.068 7. BD ( 1) C 2 - H 8 / 22. RY*( 1) C 1 1.51 1.81 0.047 7. BD ( 1) C 2 - H 8 / 48. RY*( 1) C 3 1.52 1.81 0.047 7. BD ( 1) C 2 - H 8 /130. BD*( 1) C 1 - C 2 0.54 1.09 0.022 7. BD ( 1) C 2 - H 8 /131. BD*( 1) C 1 - C 6 3.88 1.09 0.058 7. BD ( 1) C 2 - H 8 /133. BD*( 1) C 1 - H 7 0.65 0.93 0.022 7. BD ( 1) C 2 - H 8 /134. BD*( 1) C 2 - C 3 0.55 1.09 0.022 7. BD ( 1) C 2 - H 8 /137. BD*( 1) C 3 - C 4 3.89 1.09 0.058 7. BD ( 1) C 2 - H 8 /138. BD*( 1) C 3 - H 9 0.65 0.93 0.022 8. BD ( 1) C 3 - C 4 / 35. RY*( 1) C 2 0.91 2.00 0.038 8. BD ( 1) C 3 - C 4 / 36. RY*( 2) C 2 1.30 2.13 0.047 8. BD ( 1) C 3 - C 4 / 74. RY*( 1) C 5 0.91 2.00 0.038 8. BD ( 1) C 3 - C 4 / 75. RY*( 2) C 5 1.30 2.13 0.047 8. BD ( 1) C 3 - C 4 /134. BD*( 1) C 2 - C 3 3.04 1.27 0.056 8. BD ( 1) C 3 - C 4 /136. BD*( 1) C 2 - H 8 2.48 1.12 0.047 8. BD ( 1) C 3 - C 4 /138. BD*( 1) C 3 - H 9 1.01 1.12 0.030 8. BD ( 1) C 3 - C 4 /139. BD*( 1) C 4 - C 5 3.04 1.27 0.056 8. BD ( 1) C 3 - C 4 /141. BD*( 1) C 4 - H 10 1.01 1.12 0.030 8. BD ( 1) C 3 - C 4 /143. BD*( 1) C 5 - H 11 2.48 1.12 0.047 9. BD ( 1) C 3 - H 9 / 35. RY*( 1) C 2 1.52 1.81 0.047 9. BD ( 1) C 3 - H 9 / 61. RY*( 1) C 4 1.51 1.81 0.047 9. BD ( 1) C 3 - H 9 /130. BD*( 1) C 1 - C 2 3.89 1.09 0.058 9. BD ( 1) C 3 - H 9 /134. BD*( 1) C 2 - C 3 0.55 1.09 0.022 9. BD ( 1) C 3 - H 9 /136. BD*( 1) C 2 - H 8 0.65 0.93 0.022 9. BD ( 1) C 3 - H 9 /137. BD*( 1) C 3 - C 4 0.54 1.09 0.022 9. BD ( 1) C 3 - H 9 /139. BD*( 1) C 4 - C 5 3.87 1.09 0.058 9. BD ( 1) C 3 - H 9 /141. BD*( 1) C 4 - H 10 0.65 0.93 0.022 10. BD ( 1) C 4 - C 5 / 48. RY*( 1) C 3 0.91 2.00 0.038 10. BD ( 1) C 4 - C 5 / 49. RY*( 2) C 3 1.30 2.13 0.047 10. BD ( 1) C 4 - C 5 / 87. RY*( 1) C 6 0.91 2.00 0.038 10. BD ( 1) C 4 - C 5 / 88. RY*( 2) C 6 1.30 2.14 0.047 10. BD ( 1) C 4 - C 5 /137. BD*( 1) C 3 - C 4 3.04 1.27 0.056 10. BD ( 1) C 4 - C 5 /138. BD*( 1) C 3 - H 9 2.47 1.12 0.047 10. BD ( 1) C 4 - C 5 /141. BD*( 1) C 4 - H 10 1.02 1.12 0.030 10. BD ( 1) C 4 - C 5 /142. BD*( 1) C 5 - C 6 3.04 1.27 0.056 10. BD ( 1) C 4 - C 5 /143. BD*( 1) C 5 - H 11 1.02 1.12 0.030 10. BD ( 1) C 4 - C 5 /144. BD*( 1) C 6 - H 12 2.47 1.12 0.047 11. BD ( 2) C 4 - C 5 / 50. RY*( 3) C 3 0.79 0.95 0.027 11. BD ( 2) C 4 - C 5 / 51. RY*( 4) C 3 0.66 1.84 0.034 11. BD ( 2) C 4 - C 5 / 89. RY*( 3) C 6 0.80 0.94 0.027 11. BD ( 2) C 4 - C 5 / 90. RY*( 4) C 6 0.66 1.84 0.034 11. BD ( 2) C 4 - C 5 /132. BD*( 2) C 1 - C 6 20.61 0.28 0.068 11. BD ( 2) C 4 - C 5 /135. BD*( 2) C 2 - C 3 20.59 0.28 0.068 12. BD ( 1) C 4 - H 10 / 48. RY*( 1) C 3 1.51 1.81 0.047 12. BD ( 1) C 4 - H 10 / 74. RY*( 1) C 5 1.52 1.81 0.047 12. BD ( 1) C 4 - H 10 /134. BD*( 1) C 2 - C 3 3.87 1.09 0.058 12. BD ( 1) C 4 - H 10 /137. BD*( 1) C 3 - C 4 0.54 1.09 0.022 12. BD ( 1) C 4 - H 10 /138. BD*( 1) C 3 - H 9 0.65 0.93 0.022 12. BD ( 1) C 4 - H 10 /139. BD*( 1) C 4 - C 5 0.55 1.09 0.022 12. BD ( 1) C 4 - H 10 /142. BD*( 1) C 5 - C 6 3.88 1.09 0.058 12. BD ( 1) C 4 - H 10 /143. BD*( 1) C 5 - H 11 0.65 0.93 0.022 13. BD ( 1) C 5 - C 6 / 22. RY*( 1) C 1 0.91 2.00 0.038 13. BD ( 1) C 5 - C 6 / 23. RY*( 2) C 1 1.30 2.13 0.047 13. BD ( 1) C 5 - C 6 / 61. RY*( 1) C 4 0.91 2.00 0.038 13. BD ( 1) C 5 - C 6 / 62. RY*( 2) C 4 1.30 2.13 0.047 13. BD ( 1) C 5 - C 6 /131. BD*( 1) C 1 - C 6 3.04 1.27 0.056 13. BD ( 1) C 5 - C 6 /133. BD*( 1) C 1 - H 7 2.48 1.12 0.047 13. BD ( 1) C 5 - C 6 /139. BD*( 1) C 4 - C 5 3.04 1.27 0.056 13. BD ( 1) C 5 - C 6 /141. BD*( 1) C 4 - H 10 2.48 1.12 0.047 13. BD ( 1) C 5 - C 6 /143. BD*( 1) C 5 - H 11 1.01 1.12 0.030 13. BD ( 1) C 5 - C 6 /144. BD*( 1) C 6 - H 12 1.02 1.12 0.030 14. BD ( 1) C 5 - H 11 / 61. RY*( 1) C 4 1.52 1.81 0.047 14. BD ( 1) C 5 - H 11 / 87. RY*( 1) C 6 1.51 1.81 0.047 14. BD ( 1) C 5 - H 11 /131. BD*( 1) C 1 - C 6 3.88 1.09 0.058 14. BD ( 1) C 5 - H 11 /137. BD*( 1) C 3 - C 4 3.88 1.09 0.058 14. BD ( 1) C 5 - H 11 /139. BD*( 1) C 4 - C 5 0.55 1.09 0.022 14. BD ( 1) C 5 - H 11 /141. BD*( 1) C 4 - H 10 0.65 0.93 0.022 14. BD ( 1) C 5 - H 11 /142. BD*( 1) C 5 - C 6 0.54 1.09 0.022 14. BD ( 1) C 5 - H 11 /144. BD*( 1) C 6 - H 12 0.65 0.93 0.022 15. BD ( 1) C 6 - H 12 / 22. RY*( 1) C 1 1.51 1.81 0.047 15. BD ( 1) C 6 - H 12 / 74. RY*( 1) C 5 1.51 1.81 0.047 15. BD ( 1) C 6 - H 12 /130. BD*( 1) C 1 - C 2 3.88 1.09 0.058 15. BD ( 1) C 6 - H 12 /131. BD*( 1) C 1 - C 6 0.55 1.09 0.022 15. BD ( 1) C 6 - H 12 /133. BD*( 1) C 1 - H 7 0.65 0.93 0.022 15. BD ( 1) C 6 - H 12 /139. BD*( 1) C 4 - C 5 3.88 1.09 0.058 15. BD ( 1) C 6 - H 12 /142. BD*( 1) C 5 - C 6 0.54 1.09 0.022 15. BD ( 1) C 6 - H 12 /143. BD*( 1) C 5 - H 11 0.65 0.93 0.022 16. CR ( 1) C 1 / 36. RY*( 2) C 2 1.46 11.48 0.116 16. CR ( 1) C 1 / 88. RY*( 2) C 6 1.47 11.48 0.116 16. CR ( 1) C 1 /102. RY*( 3) H 7 0.58 12.32 0.075 16. CR ( 1) C 1 /134. BD*( 1) C 2 - C 3 0.88 10.62 0.087 16. CR ( 1) C 1 /142. BD*( 1) C 5 - C 6 0.88 10.62 0.087 17. CR ( 1) C 2 / 23. RY*( 2) C 1 1.46 11.48 0.116 17. CR ( 1) C 2 / 49. RY*( 2) C 3 1.47 11.48 0.116 17. CR ( 1) C 2 /107. RY*( 3) H 8 0.58 12.32 0.075 17. CR ( 1) C 2 /131. BD*( 1) C 1 - C 6 0.88 10.62 0.087 17. CR ( 1) C 2 /137. BD*( 1) C 3 - C 4 0.88 10.62 0.087 18. CR ( 1) C 3 / 36. RY*( 2) C 2 1.47 11.48 0.116 18. CR ( 1) C 3 / 62. RY*( 2) C 4 1.46 11.48 0.116 18. CR ( 1) C 3 /112. RY*( 3) H 9 0.58 12.32 0.075 18. CR ( 1) C 3 /130. BD*( 1) C 1 - C 2 0.88 10.62 0.087 18. CR ( 1) C 3 /139. BD*( 1) C 4 - C 5 0.88 10.62 0.086 19. CR ( 1) C 4 / 49. RY*( 2) C 3 1.46 11.48 0.116 19. CR ( 1) C 4 / 75. RY*( 2) C 5 1.47 11.48 0.116 19. CR ( 1) C 4 /117. RY*( 3) H 10 0.58 12.32 0.075 19. CR ( 1) C 4 /134. BD*( 1) C 2 - C 3 0.88 10.62 0.086 19. CR ( 1) C 4 /142. BD*( 1) C 5 - C 6 0.88 10.62 0.087 20. CR ( 1) C 5 / 62. RY*( 2) C 4 1.47 11.48 0.116 20. CR ( 1) C 5 / 88. RY*( 2) C 6 1.46 11.48 0.116 20. CR ( 1) C 5 /122. RY*( 3) H 11 0.58 12.32 0.075 20. CR ( 1) C 5 /131. BD*( 1) C 1 - C 6 0.88 10.62 0.087 20. CR ( 1) C 5 /137. BD*( 1) C 3 - C 4 0.88 10.62 0.087 21. CR ( 1) C 6 / 23. RY*( 2) C 1 1.47 11.48 0.116 21. CR ( 1) C 6 / 75. RY*( 2) C 5 1.47 11.48 0.116 21. CR ( 1) C 6 /127. RY*( 3) H 12 0.58 12.32 0.075 21. CR ( 1) C 6 /130. BD*( 1) C 1 - C 2 0.88 10.62 0.087 21. CR ( 1) C 6 /139. BD*( 1) C 4 - C 5 0.88 10.62 0.087 132. BD*( 2) C 1 - C 6 / 24. RY*( 3) C 1 2.75 0.66 0.093 132. BD*( 2) C 1 - C 6 / 89. RY*( 3) C 6 2.74 0.66 0.093 135. BD*( 2) C 2 - C 3 / 37. RY*( 3) C 2 2.74 0.66 0.093 135. BD*( 2) C 2 - C 3 / 50. RY*( 3) C 3 2.74 0.66 0.093 140. BD*( 2) C 4 - C 5 / 63. RY*( 3) C 4 2.74 0.66 0.093 140. BD*( 2) C 4 - C 5 / 76. RY*( 3) C 5 2.74 0.66 0.093 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (C6H6) 1. BD ( 1) C 1 - C 2 1.97908 -0.69245 134(g),131(g),138(v),144(v) 49(v),88(v),133(g),136(g) 48(v),87(v) 2. BD ( 1) C 1 - C 6 1.97910 -0.69269 142(g),130(g),143(v),136(v) 75(v),36(v),144(g),133(g) 35(v),74(v) 3. BD ( 2) C 1 - C 6 1.66487 -0.24733 140(v),135(v),76(v),37(v) 38(v),77(v) 4. BD ( 1) C 1 - H 7 1.97946 -0.50546 142(v),134(v),87(v),35(v) 144(v),136(v),131(g),130(g) 5. BD ( 1) C 2 - C 3 1.97911 -0.69280 130(g),137(g),133(v),141(v) 23(v),62(v),136(g),138(g) 22(v),61(v) 6. BD ( 2) C 2 - C 3 1.66496 -0.24735 132(v),140(v),24(v),63(v) 64(v),25(v) 7. BD ( 1) C 2 - H 8 1.97945 -0.50542 137(v),131(v),48(v),22(v) 138(v),133(v),134(g),130(g) 8. BD ( 1) C 3 - C 4 1.97908 -0.69227 134(g),139(g),136(v),143(v) 36(v),75(v),138(g),141(g) 35(v),74(v) 9. BD ( 1) C 3 - H 9 1.97947 -0.50545 130(v),139(v),35(v),61(v) 136(v),141(v),134(g),137(g) 10. BD ( 1) C 4 - C 5 1.97911 -0.69274 142(g),137(g),144(v),138(v) 88(v),49(v),141(g),143(g) 87(v),48(v) 11. BD ( 2) C 4 - C 5 1.66494 -0.24734 132(v),135(v),89(v),50(v) 51(v),90(v) 12. BD ( 1) C 4 - H 10 1.97948 -0.50546 142(v),134(v),74(v),48(v) 143(v),138(v),139(g),137(g) 13. BD ( 1) C 5 - C 6 1.97908 -0.69247 139(g),131(g),141(v),133(v) 23(v),62(v),144(g),143(g) 22(v),61(v) 14. BD ( 1) C 5 - H 11 1.97946 -0.50539 137(v),131(v),61(v),87(v) 144(v),141(v),139(g),142(g) 15. BD ( 1) C 6 - H 12 1.97946 -0.50546 130(v),139(v),22(v),74(v) 133(v),143(v),131(g),142(g) 16. CR ( 1) C 1 1.99909 -10.03592 88(v),36(v),142(v),134(v) 102(v) 17. CR ( 1) C 2 1.99909 -10.03590 49(v),23(v),137(v),131(v) 107(v) 18. CR ( 1) C 3 1.99909 -10.03597 36(v),62(v),130(v),139(v) 112(v) 19. CR ( 1) C 4 1.99909 -10.03599 75(v),49(v),142(v),134(v) 117(v) 20. CR ( 1) C 5 1.99909 -10.03594 62(v),88(v),137(v),131(v) 122(v) 21. CR ( 1) C 6 1.99909 -10.03591 23(v),75(v),130(v),139(v) 127(v) 22. RY*( 1) C 1 0.00593 1.30707 23. RY*( 2) C 1 0.00184 1.44252 24. RY*( 3) C 1 0.00073 0.69626 25. RY*( 4) C 1 0.00060 1.59577 26. RY*( 5) C 1 0.00035 0.99199 27. RY*( 6) C 1 0.00013 2.50097 28. RY*( 7) C 1 0.00008 5.12467 29. RY*( 8) C 1 0.00004 2.54247 30. RY*( 9) C 1 0.00002 4.47208 31. RY*( 10) C 1 0.00000 13.27536 32. RY*( 11) C 1 0.00000 1.51810 33. RY*( 12) C 1 0.00000 2.66803 34. RY*( 13) C 1 0.00000 7.50871 35. RY*( 1) C 2 0.00593 1.30704 36. RY*( 2) C 2 0.00184 1.44235 37. RY*( 3) C 2 0.00073 0.69810 38. RY*( 4) C 2 0.00060 1.59407 39. RY*( 5) C 2 0.00035 0.99155 40. RY*( 6) C 2 0.00013 2.50027 41. RY*( 7) C 2 0.00008 5.12836 42. RY*( 8) C 2 0.00003 3.93299 43. RY*( 9) C 2 0.00003 3.08083 44. RY*( 10) C 2 0.00000 1.51539 45. RY*( 11) C 2 0.00000 2.67066 46. RY*( 12) C 2 0.00000 14.05098 47. RY*( 13) C 2 0.00000 6.73153 48. RY*( 1) C 3 0.00592 1.30676 49. RY*( 2) C 3 0.00184 1.44186 50. RY*( 3) C 3 0.00073 0.69883 51. RY*( 4) C 3 0.00060 1.59315 52. RY*( 5) C 3 0.00035 0.99206 53. RY*( 6) C 3 0.00013 2.50025 54. RY*( 7) C 3 0.00008 5.12370 55. RY*( 8) C 3 0.00004 2.54356 56. RY*( 9) C 3 0.00002 4.47140 57. RY*( 10) C 3 0.00000 1.51658 58. RY*( 11) C 3 0.00000 2.66948 59. RY*( 12) C 3 0.00000 13.97501 60. RY*( 13) C 3 0.00000 6.81086 61. RY*( 1) C 4 0.00592 1.30674 62. RY*( 2) C 4 0.00184 1.44173 63. RY*( 3) C 4 0.00073 0.69819 64. RY*( 4) C 4 0.00060 1.59373 65. RY*( 5) C 4 0.00035 0.99217 66. RY*( 6) C 4 0.00013 2.50016 67. RY*( 7) C 4 0.00008 5.12219 68. RY*( 8) C 4 0.00004 2.54362 69. RY*( 9) C 4 0.00002 4.47117 70. RY*( 10) C 4 0.00000 13.28098 71. RY*( 11) C 4 0.00000 1.51742 72. RY*( 12) C 4 0.00000 2.66858 73. RY*( 13) C 4 0.00000 7.50657 74. RY*( 1) C 5 0.00593 1.30689 75. RY*( 2) C 5 0.00184 1.44192 76. RY*( 3) C 5 0.00073 0.69764 77. RY*( 4) C 5 0.00060 1.59447 78. RY*( 5) C 5 0.00035 0.99149 79. RY*( 6) C 5 0.00013 2.49992 80. RY*( 7) C 5 0.00008 5.12766 81. RY*( 8) C 5 0.00003 3.93520 82. RY*( 9) C 5 0.00003 3.07807 83. RY*( 10) C 5 0.00000 1.51797 84. RY*( 11) C 5 0.00000 2.66803 85. RY*( 12) C 5 0.00000 14.07317 86. RY*( 13) C 5 0.00000 6.71146 87. RY*( 1) C 6 0.00593 1.30698 88. RY*( 2) C 6 0.00184 1.44238 89. RY*( 3) C 6 0.00073 0.69651 90. RY*( 4) C 6 0.00060 1.59555 91. RY*( 5) C 6 0.00035 0.99206 92. RY*( 6) C 6 0.00013 2.50072 93. RY*( 7) C 6 0.00008 5.12508 94. RY*( 8) C 6 0.00004 2.54287 95. RY*( 9) C 6 0.00002 4.47262 96. RY*( 10) C 6 0.00000 1.51831 97. RY*( 11) C 6 0.00000 2.66779 98. RY*( 12) C 6 0.00000 13.96908 99. RY*( 13) C 6 0.00000 6.81395 100. RY*( 1) H 7 0.00158 0.45794 101. RY*( 2) H 7 0.00018 1.58709 102. RY*( 3) H 7 0.00016 2.28393 103. RY*( 4) H 7 0.00011 1.96400 104. RY*( 5) H 7 0.00003 2.59338 105. RY*( 1) H 8 0.00158 0.45781 106. RY*( 2) H 8 0.00018 1.58727 107. RY*( 3) H 8 0.00016 2.28383 108. RY*( 4) H 8 0.00011 1.96401 109. RY*( 5) H 8 0.00003 2.59326 110. RY*( 1) H 9 0.00158 0.45791 111. RY*( 2) H 9 0.00018 1.58705 112. RY*( 3) H 9 0.00016 2.28391 113. RY*( 4) H 9 0.00011 1.96387 114. RY*( 5) H 9 0.00003 2.59323 115. RY*( 1) H 10 0.00158 0.45791 116. RY*( 2) H 10 0.00018 1.58707 117. RY*( 3) H 10 0.00016 2.28385 118. RY*( 4) H 10 0.00011 1.96384 119. RY*( 5) H 10 0.00003 2.59321 120. RY*( 1) H 11 0.00158 0.45776 121. RY*( 2) H 11 0.00018 1.58701 122. RY*( 3) H 11 0.00016 2.28408 123. RY*( 4) H 11 0.00011 1.96389 124. RY*( 5) H 11 0.00003 2.59305 125. RY*( 1) H 12 0.00158 0.45794 126. RY*( 2) H 12 0.00018 1.58710 127. RY*( 3) H 12 0.00016 2.28391 128. RY*( 4) H 12 0.00011 1.96400 129. RY*( 5) H 12 0.00003 2.59338 130. BD*( 1) C 1 - C 2 0.01700 0.58182 131. BD*( 1) C 1 - C 6 0.01698 0.58228 132. BD*( 2) C 1 - C 6 0.33210 0.03532 140(v),135(v),24(g),89(g) 133. BD*( 1) C 1 - H 7 0.01508 0.42906 134. BD*( 1) C 2 - C 3 0.01697 0.58245 135. BD*( 2) C 2 - C 3 0.33202 0.03534 132(v),140(v),37(g),50(g) 136. BD*( 1) C 2 - H 8 0.01510 0.42899 137. BD*( 1) C 3 - C 4 0.01699 0.58144 138. BD*( 1) C 3 - H 9 0.01508 0.42896 139. BD*( 1) C 4 - C 5 0.01697 0.58229 140. BD*( 2) C 4 - C 5 0.33206 0.03531 132(v),135(v),76(g),63(g) 141. BD*( 1) C 4 - H 10 0.01508 0.42897 142. BD*( 1) C 5 - C 6 0.01699 0.58185 143. BD*( 1) C 5 - H 11 0.01510 0.42885 144. BD*( 1) C 6 - H 12 0.01509 0.42906 ------------------------------- Total Lewis 40.74065 ( 97.0016%) Valence non-Lewis 1.18861 ( 2.8300%) Rydberg non-Lewis 0.07074 ( 0.1684%) ------------------------------- Total unit 1 42.00000 (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 --- 0.0004 0.0006 0.0007 69.9745 72.9971 73.5943 Low frequencies --- 425.7012 425.7393 628.2855 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 -- 425.7012 425.7392 628.2852 Red. masses -- 3.1452 3.1436 6.3043 Frc consts -- 0.3358 0.3357 1.4662 IR Inten -- 0.0000 0.0000 0.0000 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 -0.03 0.00 0.00 0.25 0.14 0.26 0.00 2 6 0.00 0.00 0.23 0.00 0.00 -0.10 0.31 -0.17 0.00 3 6 0.00 0.00 -0.21 0.00 0.00 -0.15 -0.01 -0.17 0.00 4 6 0.00 0.00 -0.03 0.00 0.00 0.25 -0.14 -0.26 0.00 5 6 0.00 0.00 0.23 0.00 0.00 -0.10 -0.31 0.17 0.00 6 6 0.00 0.00 -0.21 0.00 0.00 -0.15 0.01 0.17 0.00 7 1 0.00 0.00 -0.05 0.00 0.00 0.52 -0.10 0.29 0.00 8 1 0.00 0.00 0.47 0.00 0.00 -0.21 0.24 -0.26 0.00 9 1 0.00 0.00 -0.42 0.00 0.00 -0.30 -0.15 0.15 0.00 10 1 0.00 0.00 -0.05 0.00 0.00 0.52 0.10 -0.29 0.00 11 1 0.00 0.00 0.47 0.00 0.00 -0.21 -0.24 0.26 0.00 12 1 0.00 0.00 -0.42 0.00 0.00 -0.30 0.15 -0.15 0.00 4 5 6 A A A Frequencies -- 628.4502 724.8065 770.2256 Red. masses -- 6.3037 3.9557 1.0848 Frc consts -- 1.4669 1.2244 0.3792 IR Inten -- 0.0000 0.0000 107.9865 Atom AN X Y Z X Y Z X Y Z 1 6 -0.09 0.26 0.00 0.00 0.00 0.21 0.00 0.00 0.03 2 6 0.00 0.19 0.00 0.00 0.00 -0.21 0.00 0.00 0.03 3 6 0.34 0.11 0.00 0.00 0.00 0.21 0.00 0.00 0.03 4 6 0.09 -0.26 0.00 0.00 0.00 -0.21 0.00 0.00 0.03 5 6 0.00 -0.19 0.00 0.00 0.00 0.21 0.00 0.00 0.03 6 6 -0.34 -0.11 0.00 0.00 0.00 -0.21 0.00 0.00 0.03 7 1 0.18 0.23 0.00 0.00 0.00 0.35 0.00 0.00 -0.41 8 1 -0.20 -0.08 0.00 0.00 0.00 -0.35 0.00 0.00 -0.41 9 1 0.31 0.18 0.00 0.00 0.00 0.35 0.00 0.00 -0.41 10 1 -0.17 -0.23 0.00 0.00 0.00 -0.35 0.00 0.00 -0.41 11 1 0.20 0.08 0.00 0.00 0.00 0.35 0.00 0.00 -0.41 12 1 -0.31 -0.18 0.00 0.00 0.00 -0.35 0.00 0.00 -0.41 7 8 9 A A A Frequencies -- 920.8361 921.5812 1009.1708 Red. masses -- 1.2503 1.2503 5.9886 Frc consts -- 0.6246 0.6257 3.5934 IR Inten -- 0.0000 0.0001 0.0000 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.03 0.00 0.00 -0.08 -0.04 -0.27 0.00 2 6 0.00 0.00 -0.05 0.00 0.00 -0.07 0.22 -0.17 0.00 3 6 0.00 0.00 -0.09 0.00 0.00 0.01 0.25 0.11 0.00 4 6 0.00 0.00 -0.03 0.00 0.00 0.08 0.03 0.27 0.00 5 6 0.00 0.00 0.05 0.00 0.00 0.07 -0.22 0.17 0.00 6 6 0.00 0.00 0.09 0.00 0.00 -0.01 -0.25 -0.11 0.00 7 1 0.00 0.00 -0.21 0.00 0.00 0.53 -0.04 -0.30 0.00 8 1 0.00 0.00 0.35 0.00 0.00 0.45 0.24 -0.18 0.00 9 1 0.00 0.00 0.57 0.00 0.00 -0.08 0.28 0.11 0.00 10 1 0.00 0.00 0.21 0.00 0.00 -0.53 0.04 0.30 0.00 11 1 0.00 0.00 -0.35 0.00 0.00 -0.45 -0.24 0.18 0.00 12 1 0.00 0.00 -0.57 0.00 0.00 0.08 -0.28 -0.12 0.00 10 11 12 A A A Frequencies -- 1020.2698 1027.5567 1027.9935 Red. masses -- 6.5583 1.3203 1.3199 Frc consts -- 4.0222 0.8214 0.8218 IR Inten -- 0.0000 0.0004 0.0002 Atom AN X Y Z X Y Z X Y Z 1 6 0.04 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 -0.09 2 6 0.23 -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 0.08 3 6 -0.27 -0.11 0.00 0.00 0.00 0.10 0.00 0.00 0.01 4 6 0.04 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 -0.09 5 6 0.23 -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 0.08 6 6 -0.27 -0.11 0.00 0.00 0.00 0.10 0.00 0.00 0.01 7 1 0.04 0.28 0.00 0.00 0.00 0.23 0.00 0.00 0.52 8 1 0.23 -0.17 0.00 0.00 0.00 0.34 0.00 0.00 -0.46 9 1 -0.27 -0.11 -0.01 0.00 0.00 -0.56 0.00 0.00 -0.06 10 1 0.04 0.28 0.00 0.00 0.00 0.22 0.00 0.00 0.52 11 1 0.23 -0.17 0.01 0.00 0.00 0.34 0.00 0.00 -0.46 12 1 -0.27 -0.11 0.00 0.00 0.00 -0.56 0.00 0.00 -0.07 13 14 15 A A A Frequencies -- 1061.4214 1070.9697 1071.6678 Red. masses -- 1.2154 1.7926 1.7895 Frc consts -- 0.8068 1.2114 1.2109 IR Inten -- 0.0002 4.3364 4.3473 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 -0.06 -0.02 0.12 0.00 0.09 0.03 0.00 2 6 0.00 0.00 0.06 -0.07 -0.06 0.00 -0.09 0.09 0.00 3 6 0.00 0.00 -0.06 0.11 -0.02 0.00 -0.05 -0.09 0.00 4 6 0.00 0.00 0.06 -0.02 0.12 0.00 0.09 0.03 0.00 5 6 0.00 0.00 -0.06 -0.07 -0.06 0.00 -0.09 0.09 0.00 6 6 0.00 0.00 0.06 0.11 -0.02 0.00 -0.05 -0.09 0.00 7 1 0.00 0.00 0.40 -0.16 0.15 0.00 0.51 -0.02 0.00 8 1 0.00 0.00 -0.40 -0.34 -0.41 0.00 -0.05 0.16 0.00 9 1 0.00 0.00 0.40 0.23 -0.28 0.00 0.08 -0.41 0.00 10 1 0.00 0.00 -0.41 -0.17 0.15 0.00 0.51 -0.02 0.00 11 1 0.00 0.00 0.41 -0.34 -0.41 0.00 -0.05 0.16 0.00 12 1 0.00 0.00 -0.40 0.23 -0.28 0.00 0.08 -0.41 0.00 16 17 18 A A A Frequencies -- 1195.1740 1216.8645 1217.1454 Red. masses -- 1.2169 1.1542 1.1546 Frc consts -- 1.0241 1.0069 1.0078 IR Inten -- 0.0000 0.0001 0.0001 Atom AN X Y Z X Y Z X Y Z 1 6 -0.06 0.01 0.00 0.05 -0.01 0.00 -0.04 0.00 0.00 2 6 0.03 0.04 0.00 0.01 0.01 0.00 0.04 0.05 0.00 3 6 0.02 -0.05 0.00 0.02 -0.06 0.00 0.01 -0.02 0.00 4 6 -0.06 0.01 0.00 -0.05 0.01 0.00 0.04 0.00 0.00 5 6 0.03 0.04 0.00 -0.01 -0.01 0.00 -0.04 -0.05 0.00 6 6 0.02 -0.05 0.00 -0.03 0.06 0.00 -0.01 0.02 0.00 7 1 -0.40 0.05 0.00 0.43 -0.06 0.00 -0.37 0.05 0.00 8 1 0.24 0.32 0.00 0.06 0.09 0.00 0.34 0.45 0.00 9 1 0.16 -0.37 0.00 0.21 -0.50 0.00 0.07 -0.18 0.00 10 1 -0.40 0.05 0.00 -0.43 0.06 0.00 0.37 -0.05 0.00 11 1 0.25 0.32 0.00 -0.06 -0.09 0.00 -0.34 -0.45 0.00 12 1 0.16 -0.37 0.00 -0.21 0.50 0.00 -0.07 0.17 0.00 19 20 21 A A A Frequencies -- 1343.5017 1405.6407 1525.4688 Red. masses -- 3.9403 1.2503 1.8978 Frc consts -- 4.1904 1.4555 2.6020 IR Inten -- 0.0000 0.0000 9.2569 Atom AN X Y Z X Y Z X Y Z 1 6 0.21 -0.03 0.00 -0.06 0.01 0.00 0.02 -0.09 0.00 2 6 -0.13 -0.17 0.00 -0.04 -0.05 0.00 0.10 0.09 0.00 3 6 -0.08 0.19 0.00 0.02 -0.06 0.00 -0.09 0.07 0.00 4 6 0.21 -0.03 0.00 0.06 -0.01 0.00 0.02 -0.09 0.00 5 6 -0.13 -0.17 0.00 0.04 0.05 0.00 0.10 0.09 0.00 6 6 -0.08 0.19 0.00 -0.02 0.06 0.00 -0.09 0.07 0.00 7 1 -0.35 0.04 0.00 0.40 -0.05 0.00 -0.14 -0.09 0.00 8 1 0.21 0.28 0.00 0.25 0.32 0.00 -0.29 -0.43 0.00 9 1 0.14 -0.32 0.00 -0.16 0.37 0.00 0.08 -0.39 0.00 10 1 -0.35 0.05 0.00 -0.40 0.05 0.00 -0.15 -0.09 0.00 11 1 0.21 0.28 0.00 -0.24 -0.32 0.00 -0.29 -0.43 0.00 12 1 0.13 -0.32 0.00 0.16 -0.37 0.00 0.08 -0.39 0.00 22 23 24 A A A Frequencies -- 1526.0037 1640.0104 1640.3097 Red. masses -- 1.9005 4.8347 4.8380 Frc consts -- 2.6076 7.6614 7.6694 IR Inten -- 9.2146 0.0001 0.0001 Atom AN X Y Z X Y Z X Y Z 1 6 0.14 0.00 0.00 0.31 -0.05 0.00 0.05 0.13 0.00 2 6 -0.04 0.08 0.00 -0.18 -0.02 0.00 -0.12 -0.26 0.00 3 6 -0.02 -0.11 0.00 0.17 -0.12 0.00 -0.02 0.27 0.00 4 6 0.14 0.00 0.00 -0.30 0.05 0.00 -0.05 -0.13 0.00 5 6 -0.04 0.08 0.00 0.18 0.03 0.00 0.12 0.26 0.00 6 6 -0.02 -0.11 0.00 -0.18 0.12 0.00 0.02 -0.26 0.00 7 1 -0.52 0.09 0.00 -0.44 0.04 0.00 -0.02 0.16 0.00 8 1 -0.17 -0.05 0.00 -0.01 0.23 0.00 0.30 0.28 0.00 9 1 -0.22 0.32 0.00 0.02 0.28 0.00 0.22 -0.29 0.00 10 1 -0.52 0.09 0.00 0.43 -0.04 0.00 0.02 -0.16 0.00 11 1 -0.17 -0.06 0.00 0.00 -0.23 0.00 -0.29 -0.28 0.00 12 1 -0.22 0.32 0.00 -0.02 -0.29 0.00 -0.22 0.29 0.00 25 26 27 A A A Frequencies -- 3018.1537 3028.1245 3028.4747 Red. masses -- 1.0833 1.0876 1.0876 Frc consts -- 5.8141 5.8756 5.8771 IR Inten -- 0.0041 0.0277 0.0010 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 -0.03 0.00 0.00 0.01 0.00 -0.01 -0.05 0.00 2 6 -0.03 0.02 0.00 0.04 -0.03 0.00 -0.01 0.01 0.00 3 6 0.03 0.01 0.00 -0.04 -0.01 0.00 -0.03 -0.01 0.00 4 6 0.00 -0.03 0.00 0.00 -0.01 0.00 0.01 0.05 0.00 5 6 -0.03 0.02 0.00 -0.04 0.03 0.00 0.01 -0.01 0.00 6 6 0.03 0.01 0.00 0.03 0.01 0.00 0.03 0.01 0.00 7 1 0.05 0.38 0.00 -0.01 -0.11 0.00 0.07 0.57 0.00 8 1 0.32 -0.24 0.00 -0.43 0.32 0.00 0.16 -0.13 0.00 9 1 -0.38 -0.16 0.00 0.42 0.17 0.00 0.34 0.14 0.00 10 1 0.05 0.42 0.00 0.01 0.10 0.00 -0.07 -0.55 0.00 11 1 0.34 -0.26 0.00 0.44 -0.33 0.00 -0.14 0.11 0.00 12 1 -0.37 -0.15 0.00 -0.39 -0.16 0.00 -0.36 -0.15 0.00 28 29 30 A A A Frequencies -- 3044.7732 3045.0378 3056.0198 Red. masses -- 1.0959 1.0959 1.1006 Frc consts -- 5.9859 5.9868 6.0561 IR Inten -- 48.5582 48.4984 0.0437 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 -0.02 0.00 0.00 0.05 0.00 0.00 0.04 0.00 2 6 0.04 -0.03 0.00 -0.01 0.00 0.00 -0.03 0.02 0.00 3 6 0.03 0.02 0.00 0.04 0.01 0.00 -0.03 -0.01 0.00 4 6 -0.01 -0.02 0.00 0.01 0.05 0.00 0.00 -0.04 0.00 5 6 0.04 -0.03 0.00 -0.01 0.00 0.00 0.03 -0.02 0.00 6 6 0.03 0.02 0.00 0.04 0.01 0.00 0.04 0.01 0.00 7 1 0.03 0.18 0.00 -0.07 -0.53 0.00 -0.05 -0.42 0.00 8 1 -0.45 0.35 0.00 0.08 -0.05 0.00 0.33 -0.25 0.00 9 1 -0.33 -0.14 0.00 -0.41 -0.17 0.00 0.37 0.15 0.00 10 1 0.03 0.19 0.00 -0.07 -0.55 0.00 0.05 0.39 0.00 11 1 -0.44 0.34 0.00 0.10 -0.07 0.00 -0.31 0.24 0.00 12 1 -0.36 -0.16 0.00 -0.39 -0.16 0.00 -0.38 -0.16 0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 6 and mass 12.00000 Atom 2 has atomic number 6 and mass 12.00000 Atom 3 has atomic number 6 and mass 12.00000 Atom 4 has atomic number 6 and mass 12.00000 Atom 5 has atomic number 6 and mass 12.00000 Atom 6 has atomic number 6 and mass 12.00000 Atom 7 has atomic number 1 and mass 1.00783 Atom 8 has atomic number 1 and mass 1.00783 Atom 9 has atomic number 1 and mass 1.00783 Atom 10 has atomic number 1 and mass 1.00783 Atom 11 has atomic number 1 and mass 1.00783 Atom 12 has atomic number 1 and mass 1.00783 Molecular mass: 78.04695 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 317.36941 317.38614 634.75552 X 0.99863 0.05230 -0.00046 Y -0.05230 0.99863 0.00047 Z 0.00049 -0.00044 1.00000 This molecule is an asymmetric top. Rotational symmetry number 1. Rotational temperatures (Kelvin) 0.27291 0.27290 0.13645 Rotational constants (GHZ): 5.68656 5.68626 2.84321 Zero-point vibrational energy 261177.0 (Joules/Mol) 62.42279 (Kcal/Mol) Warning -- explicit consideration of 2 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 612.49 612.54 903.96 904.20 1042.83 (Kelvin) 1108.18 1324.88 1325.95 1451.97 1467.94 1478.42 1479.05 1527.15 1540.88 1541.89 1719.59 1750.79 1751.20 1933.00 2022.40 2194.81 2195.58 2359.61 2360.04 4342.44 4356.79 4357.29 4380.74 4381.12 4396.93 Zero-point correction= 0.099477 (Hartree/Particle) Thermal correction to Energy= 0.103760 Thermal correction to Enthalpy= 0.104704 Thermal correction to Gibbs Free Energy= 0.072058 Sum of electronic and zero-point Energies= -232.208189 Sum of electronic and thermal Energies= -232.203906 Sum of electronic and thermal Enthalpies= -232.202962 Sum of electronic and thermal Free Energies= -232.235609 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 65.110 16.563 68.711 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 38.979 Rotational 0.889 2.981 25.661 Vibrational 63.333 10.601 4.070 Vibration 1 0.788 1.414 0.873 Vibration 2 0.788 1.414 0.873 Q Log10(Q) Ln(Q) Total Bot 0.717629D-33 -33.144100 -76.317111 Total V=0 0.409325D+13 12.612068 29.040361 Vib (Bot) 0.292540D-45 -45.533815 -104.845485 Vib (Bot) 1 0.410667D+00 -0.386510 -0.889972 Vib (Bot) 2 0.410619D+00 -0.386561 -0.890091 Vib (V=0) 0.166860D+01 0.222353 0.511987 Vib (V=0) 1 0.114703D+01 0.059575 0.137176 Vib (V=0) 2 0.114700D+01 0.059563 0.137149 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.271012D+08 7.432989 17.115090 Rotational 0.905162D+05 4.956726 11.413284 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.001002711 -0.008441958 -0.000015950 2 6 0.006711486 -0.005324016 0.000123188 3 6 0.007678046 0.003612393 -0.000051517 4 6 0.001412436 0.008332193 0.000034215 5 6 -0.006903038 0.005093538 0.000013780 6 6 -0.007897481 -0.003195671 -0.000056138 7 1 0.001251320 0.009746144 0.000000874 8 1 -0.007815540 0.005972030 -0.000046985 9 1 -0.009102425 -0.003827899 -0.000007698 10 1 -0.001290122 -0.009786959 -0.000016551 11 1 0.007897373 -0.005975898 0.000016191 12 1 0.009060657 0.003796103 0.000006591 ------------------------------------------------------------------- Cartesian Forces: Max 0.009786959 RMS 0.005318025 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 --- 0.01657 0.01659 0.03496 0.03548 0.05378 Eigenvalues --- 0.05381 0.05666 0.06585 0.06591 0.08425 Eigenvalues --- 0.08439 0.10224 0.10229 0.17038 0.18430 Eigenvalues --- 0.19993 0.20009 0.20184 0.29321 0.36901 Eigenvalues --- 0.36913 0.63233 0.63246 0.78812 0.89111 Eigenvalues --- 0.96685 1.05478 1.05596 1.24359 1.24428 Angle between quadratic step and forces= 44.47 degrees. Linear search not attempted -- first point. TrRot= -0.000002 -0.000009 0.000064 -0.000001 -0.000025 -0.000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) X1 -0.33395 -0.00100 0.00000 0.00033 0.00033 -0.33362 Y1 -2.61491 -0.00844 0.00000 0.00194 0.00194 -2.61298 Z1 0.00107 -0.00002 0.00000 0.00002 0.00007 0.00114 X2 2.09780 0.00671 0.00000 -0.00177 -0.00178 2.09602 Y2 -1.59629 -0.00532 0.00000 0.00110 0.00109 -1.59520 Z2 0.00107 0.00012 0.00000 0.00077 0.00089 0.00195 X3 2.43180 0.00768 0.00000 -0.00203 -0.00203 2.42977 Y3 1.01809 0.00361 0.00000 -0.00038 -0.00039 1.01769 Z3 0.00107 -0.00005 0.00000 -0.00027 -0.00015 0.00092 X4 0.33345 0.00141 0.00000 0.00016 0.00017 0.33362 Y4 2.61514 0.00833 0.00000 -0.00218 -0.00219 2.61295 Z4 -0.00120 0.00003 0.00000 0.00018 0.00026 -0.00094 X5 -2.09765 -0.00690 0.00000 0.00162 0.00162 -2.09603 Y5 1.59662 0.00509 0.00000 -0.00144 -0.00145 1.59517 Z5 -0.00211 0.00001 0.00000 0.00033 0.00034 -0.00177 X6 -2.43144 -0.00790 0.00000 0.00166 0.00165 -2.42978 Y6 -1.01860 -0.00320 0.00000 0.00088 0.00088 -1.01772 Z6 -0.00022 -0.00006 0.00000 -0.00049 -0.00049 -0.00071 X7 -0.59687 0.00125 0.00000 0.00421 0.00420 -0.59267 Y7 -4.67617 0.00975 0.00000 0.03167 0.03166 -4.64452 Z7 0.00192 0.00000 0.00000 0.00002 0.00007 0.00199 X8 3.75102 -0.00782 0.00000 -0.02540 -0.02541 3.72562 Y8 -2.85530 0.00597 0.00000 0.01962 0.01961 -2.83569 Z8 0.00355 -0.00005 0.00000 -0.00019 -0.00003 0.00352 X9 4.34847 -0.00910 0.00000 -0.02965 -0.02965 4.31882 Y9 1.82112 -0.00383 0.00000 -0.01243 -0.01245 1.80867 Z9 0.00226 -0.00001 0.00000 -0.00076 -0.00059 0.00168 X10 0.59727 -0.00129 0.00000 -0.00456 -0.00455 0.59272 Y10 4.67641 -0.00979 0.00000 -0.03193 -0.03195 4.64447 Z10 -0.00131 -0.00002 0.00000 -0.00042 -0.00034 -0.00165 X11 -3.75178 0.00790 0.00000 0.02612 0.02613 -3.72565 Y11 2.85478 -0.00598 0.00000 -0.01918 -0.01918 2.83560 Z11 -0.00391 0.00002 0.00000 0.00071 0.00068 -0.00323 X12 -4.34816 0.00906 0.00000 0.02932 0.02931 -4.31885 Y12 -1.82111 0.00380 0.00000 0.01244 0.01244 -1.80867 Z12 -0.00056 0.00001 0.00000 -0.00067 -0.00072 -0.00128 Item Value Threshold Converged? Maximum Force 0.009787 0.000450 NO RMS Force 0.005318 0.000300 NO Maximum Displacement 0.031945 0.001800 NO RMS Displacement 0.013142 0.001200 NO Predicted change in Energy=-8.978137D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1\1\GINC-CX1-7-36-1\Freq\RB3LYP\6-311G(d,p)\C6H6\SCAN-USER-1\31-Oct-20 11\0\\# freq b3lyp/6-311g(d,p) geom=connectivity pop=(full,nbo)\\ben_f requency\\0,1\C,-0.176717,-1.383752,0.000564\C,1.110106,-0.844719,0.00 0564\C,1.286853,0.538749,0.000564\C,0.176454,1.38387,-0.000635\C,-1.11 003,0.844894,-0.001114\C,-1.28666,-0.539018,-0.000118\H,-0.31585,-2.47 4525,0.001014\H,1.984956,-1.51096,0.001879\H,2.30111,0.963695,0.001198 \H,0.31606,2.474652,-0.000694\H,-1.985357,1.510684,-0.002067\H,-2.3009 48,-0.963691,-0.000298\\Version=EM64L-G09RevB.01\State=1-A\HF=-232.307 6662\RMSD=3.585e-09\RMSF=5.318e-03\ZeroPoint=0.099477\Thermal=0.103760 1\Dipole=-0.000002,-0.0000759,0.0002989\DipoleDeriv=-0.0709031,0.02561 04,-0.0000115,0.0257853,0.126529,-0.0001005,-0.0001314,0.0000879,-0.13 0989,0.055106,-0.0984462,0.0001588,-0.0985063,0.0005706,-0.0001399,0.0 00686,-0.000553,-0.1310465,0.0994144,0.0727555,0.0002193,0.0725975,-0. 0436307,0.0000686,-0.000114,-0.0000011,-0.1310009,-0.0708973,0.0256076 ,0.0000122,0.0256807,0.1265635,-0.0000144,0.0000371,0.0002359,-0.13100 37,0.0551753,-0.0985354,0.0002369,-0.098483,0.000602,-0.0002064,0.0001 676,-0.0002514,-0.1310485,0.0992909,0.0728805,-0.0000563,0.0726236,-0. 0435702,-0.0000544,0.0001521,0.0000293,-0.1309909,0.06394,-0.0237369,- 0.0000047,-0.0238346,-0.1195981,0.0001077,0.0000632,0.0000544,0.131053 ,-0.0531276,0.0914279,-0.0001578,0.0915104,-0.0026991,0.000113,-0.0004 752,0.0003517,0.1309846,-0.0943241,-0.0675978,-0.0001455,-0.0674791,0. 0386869,-0.0000267,-0.0000336,-0.0000161,0.1310033,0.0639261,-0.023845 8,-0.0000464,-0.0238607,-0.1195656,0.0000686,-0.0000728,-0.0000766,0.1 310576,-0.0532484,0.0914764,-0.0001698,0.0914167,-0.0025926,0.0001458, -0.0001093,0.0001506,0.1309812,-0.0943524,-0.0675961,-0.0000352,-0.067 4505,0.0387044,0.0000387,-0.0001697,-0.0000115,0.1309997\Polar=75.7969 921,0.0013165,75.7943552,0.0229829,-0.0221225,28.2799423\PG=C01 [X(C6H 6)]\NImag=0\\0.65549974,0.00576945,0.70241856,0.00013242,-0.00026612,0 .13813480,-0.29813953,-0.10355301,0.00000568,0.68455998,-0.03908649,-0 .15752850,0.00006304,-0.02371305,0.67299521,-0.00005307,0.00002700,-0. 06320515,0.00035390,-0.00026393,0.13808413,0.01993164,-0.03521841,0.00 001006,-0.13072070,-0.05733998,-0.00003848,0.69507902,-0.08403461,-0.0 1303102,-0.00003602,0.00711036,-0.32583630,0.00003242,0.01772478,0.662 29614,0.00004735,-0.00000321,0.00857583,-0.00006975,-0.00002301,-0.063 11979,0.00041478,-0.00011209,0.13810141,-0.06919125,0.00872459,-0.0000 2311,0.04684544,0.06847988,-0.00000335,-0.25421898,0.06395573,-0.00017 730,0.65527912,0.00871373,-0.00210459,-0.00000017,0.01968753,-0.039660 52,0.00004555,0.12841599,-0.20104869,0.00014373,0.00683747,0.70191560, -0.00004405,0.00000212,-0.00786204,0.00002820,0.00004967,0.00851781,-0 .00019944,0.00010996,-0.06335679,0.00034535,-0.00017811,0.13818828,0.0 4684820,0.01968376,0.00000083,-0.02624725,-0.03347495,0.00000441,-0.05 628866,0.03997905,-0.00005376,-0.29877994,-0.10383705,-0.00010126,0.68 519831,0.06848503,-0.03967266,0.00006034,-0.03347614,-0.04502008,-0.00 000391,-0.00884410,0.06332470,-0.00002345,-0.03939658,-0.15762478,0.00 000407,-0.02344037,0.67195376,-0.00001348,0.00002990,0.00852177,0.0000 1218,0.00000381,-0.00790057,-0.00003569,-0.00000998,0.00849694,-0.0001 1696,-0.00001512,-0.06314146,0.00033200,-0.00037752,0.13811642,-0.2550 7145,0.12910854,-0.00010027,-0.05631257,-0.00885597,-0.00002601,-0.011 37349,0.02471312,-0.00000697,0.01995115,-0.03521334,0.00002693,-0.1307 3500,-0.05719125,0.00000715,0.69612022,0.06463650,-0.20150945,0.000067 54,0.03997811,0.06333156,-0.00001253,0.02469594,-0.05993949,0.00003301 ,-0.08402494,-0.01304661,-0.00002497,0.00726697,-0.32487898,0.00021996 ,0.01688415,0.66177704,-0.00007875,0.00010018,-0.06326642,-0.00004398, -0.00003794,0.00850368,-0.00001186,0.00004199,-0.00787075,0.00004269,- 0.00000974,0.00857336,-0.00002304,0.00018699,-0.06318940,0.00017460,-0 .00031648,0.13806138,-0.06607156,-0.03039503,0.00001395,0.00118463,-0. 02943434,0.00001312,-0.00499646,-0.00150239,-0.00000253,-0.00117618,0. 00024817,-0.00000036,-0.00360489,0.00280689,-0.00000388,0.00745352,0.0 2532722,-0.00001182,0.06532371,-0.03037745,-0.30015348,0.00011094,0.00 116930,-0.00847001,0.00000492,-0.00255176,0.00141108,0.00000154,0.0002 4591,0.00072057,-0.00000071,0.00385411,0.00003963,0.00000490,-0.005298 30,-0.01475228,0.00000678,0.03317196,0.32100587,0.00000928,0.00010534, -0.03990744,-0.00000061,0.00000326,0.00282263,-0.00000320,0.00000191,0 .00700921,0.00000308,-0.00000133,-0.00068423,-0.00000658,0.00000238,0. 00702088,0.00000071,0.00001851,0.00284037,-0.00000909,-0.00012438,0.02 928964,-0.01788291,0.01991197,-0.00002998,-0.21513881,0.11654978,-0.00 023437,0.00619053,-0.00404852,0.00000305,0.00156886,-0.00124253,-0.000 00527,0.00003495,-0.00095290,0.00000064,-0.00376722,-0.00375959,-0.000 00464,0.00091043,-0.00033466,0.00000446,0.22818558,-0.01069603,0.01056 806,-0.00001089,0.11653271,-0.15097547,0.00017552,0.02657398,-0.013473 91,0.00003342,-0.00229027,-0.00514447,0.00000211,-0.00094446,-0.000484 04,-0.00000068,-0.00271289,0.00018376,0.00000452,0.00043803,0.00080892 ,-0.00000368,-0.12730096,0.15806568,0.00001674,0.00000377,0.00281816,- 0.00027207,0.00019660,-0.03987111,-0.00000029,-0.00000474,0.00283697,- 0.00000438,-0.00000202,0.00702271,-0.00000383,-0.00000254,-0.00068482, -0.00000288,0.00001145,0.00700849,0.00000088,-0.00000240,-0.00384956,0 .00026076,-0.00019836,0.02927118,0.00200087,-0.00061908,-0.00000468,-0 .00052152,0.00070604,-0.00000104,-0.26775560,-0.08615100,-0.00014734,- 0.01830057,-0.01241530,-0.00000956,-0.00193882,0.00431245,-0.00000999, 0.00045915,0.00069667,0.00000059,-0.00016662,0.00011166,-0.00000050,0. 00078885,-0.00037353,0.00000393,0.28562863,0.00043081,-0.00557976,0.00 000176,-0.02991310,-0.00674858,-0.00001623,-0.08614206,-0.09822265,-0. 00005271,0.01819288,0.01101818,0.00001068,0.00326758,-0.00164229,0.000 00466,0.00069800,-0.00091667,0.00000059,-0.00143468,-0.00053184,0.0000 0056,0.00040492,0.00091468,-0.00000047,0.09409190,0.10045063,-0.000000 77,0.00000191,0.00702119,-0.00000261,-0.00000054,0.00282537,-0.0001370 1,-0.00004665,-0.03983925,-0.00002802,-0.00001189,0.00283095,-0.000005 46,0.00000982,0.00700566,0.00000254,-0.00000058,-0.00068365,-0.0000003 5,0.00000028,0.00025623,0.00000465,-0.00000302,-0.00386745,0.00016419, 0.00005257,0.02923674,-0.00117594,0.00024636,-0.00000068,-0.00360832,0 .00280865,-0.00001005,0.00745473,0.02531601,-0.00000189,-0.06610262,-0 .03047668,-0.00001740,0.00118930,-0.02942739,0.00000752,-0.00499352,-0 .00150039,-0.00000678,0.00013354,-0.00002881,0.00000083,0.00013196,0.0 0126390,0.00000003,0.00087708,-0.00046144,0.00000394,0.06534978,0.0002 4579,0.00072089,-0.00000039,0.00385579,0.00003484,0.00000514,-0.005301 25,-0.01474787,-0.00000082,-0.03045983,-0.30001104,0.00002701,0.001168 65,-0.00846378,0.00000286,-0.00255041,0.00141368,-0.00000159,-0.000028 43,-0.00008767,-0.00000012,-0.00028408,-0.00083161,-0.00000054,0.00032 218,0.00084001,-0.00000070,0.03325499,0.32085631,-0.00000841,0.0000002 6,-0.00068464,-0.00000618,0.00001107,0.00700692,0.00001022,0.00002071, 0.00283027,-0.00003038,0.00001152,-0.03991552,0.00001158,-0.00000302,0 .00282504,-0.00000308,-0.00000511,0.00702201,0.00000015,-0.00000052,-0 .00119779,-0.00000022,0.00000127,0.00025729,0.00000376,-0.00000137,-0. 00384480,0.00001942,-0.00003114,0.02930292,0.00156765,-0.00124029,-0.0 0000232,0.00003416,-0.00095192,0.00000079,-0.00376036,-0.00375952,-0.0 0000560,-0.01787392,0.01990086,-0.00002229,-0.21515669,0.11641570,-0.0 0017672,0.00618105,-0.00404369,0.00000419,0.00013157,-0.00028383,-0.00 000025,-0.00000733,0.00011033,0.00000064,-0.00101428,0.00094672,-0.000 00126,0.00091025,-0.00033520,0.00000314,0.22819880,-0.00228923,-0.0051 4977,0.00000846,-0.00094537,-0.00048291,-0.00000055,-0.00271272,0.0001 8423,0.00000311,-0.01069425,0.01057041,-0.00001022,0.11638777,-0.15078 023,0.00014480,0.02657789,-0.01347044,0.00002254,0.00126378,-0.0008317 0,0.00000063,0.00010996,0.00005344,-0.00000096,-0.00060085,0.00031529, -0.00000031,0.00043952,0.00080801,-0.00000281,-0.12716331,0.15786956,- 0.00000025,0.00000874,0.00700983,0.00000267,0.00000016,-0.00068482,-0. 00000571,-0.00000048,0.00701953,-0.00000387,0.00000596,0.00281925,-0.0 0017629,0.00014187,-0.03988957,-0.00001803,0.00000770,0.00283053,-0.00 000123,0.00000064,0.00025715,0.00000083,-0.00000070,-0.00119887,-0.000 00036,0.00000019,0.00025746,0.00000294,-0.00000048,-0.00385812,0.00019 738,-0.00016079,0.02929489,-0.01831546,-0.01241884,-0.00000191,-0.0019 3551,0.00431234,-0.00000585,0.00045833,0.00069699,-0.00000006,0.001998 90,-0.00061886,-0.00000085,-0.00051950,0.00070866,-0.00000276,-0.26791 185,-0.08615694,-0.00004122,0.00087831,0.00032188,0.00000186,-0.001014 90,-0.00060080,0.00000046,-0.00005717,-0.00008153,0.00000016,-0.000166 24,0.00011181,-0.00000002,0.00078911,-0.00037321,0.00000192,0.28579599 ,0.01820250,0.01102170,0.00000151,0.00326687,-0.00163925,0.00000660,0. 00069959,-0.00091624,0.00000049,0.00042942,-0.00558406,0.00000839,-0.0 2991106,-0.00675126,-0.00000760,-0.08615955,-0.09819211,0.00000216,-0. 00046118,0.00084091,-0.00000307,0.00094661,0.00031494,0.00000020,-0.00 008114,0.00010299,-0.00000090,-0.00143472,-0.00053177,-0.00000086,0.00 040416,0.00091409,-0.00000281,0.09409850,0.10042006,-0.00000700,-0.000 00989,0.00284411,-0.00000746,-0.00000217,0.00702090,-0.00000339,0.0000 0297,-0.00068359,-0.00000375,0.00001161,0.00700769,0.00002140,0.000004 96,0.00281910,-0.00005470,0.00000149,-0.03982960,0.00000115,-0.0000019 9,-0.00385708,0.00000008,0.00000048,0.00025700,0.00000101,-0.00000022, -0.00119846,0.00000212,0.00000078,0.00025643,0.00000229,-0.00000390,-0 .00385725,0.00004826,-0.00000411,0.02922074\\0.00100271,0.00844196,0.0 0001595,-0.00671149,0.00532402,-0.00012319,-0.00767805,-0.00361239,0.0 0005152,-0.00141244,-0.00833219,-0.00003421,0.00690304,-0.00509354,-0. 00001378,0.00789748,0.00319567,0.00005614,-0.00125132,-0.00974614,-0.0 0000087,0.00781554,-0.00597203,0.00004699,0.00910243,0.00382790,0.0000 0770,0.00129012,0.00978696,0.00001655,-0.00789737,0.00597590,-0.000016 19,-0.00906066,-0.00379610,-0.00000659\\\@ HONESTY IN A LAWYER IS LIKE A HEN'S HIND LEGS. -- MAGNUS OLESON, LAKE WOBEGON PATRIARCH, C.1875 Job cpu time: 0 days 0 hours 7 minutes 8.5 seconds. File lengths (MBytes): RWF= 30 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Mon Oct 31 20:03:38 2011.