INDIUM K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(1), 2P (63333/6333/63) Nuclear Charge = 49.00 Symmetry Species S P D Number of CGTFs 5 4 2 Number of Closed Shells 5 3 2 Number of Open Shells 0 1 0 Open Shell Occupation Numbers 0 1 0 Maximum iteration in SCF = 999 SCF convergence threshold for coefficients = 1.00D-08 Maximum iteration in Jacobi = 999 Convergence threshold in Jacobi = 1.00D-20 Accuracy of LN(Zeta) & Cntr.Coeff. when optimized = 1.00D-07 Accuracy of Total Energy when optimized = 1.00D-10 * Vector Coupling Coefficients K110 = -1.66666666666667D+00 K112 = 1.33333333333333D-01 ### Total Energy = -5739.6219813743 Virial Ratio = -1.9999999953 Kinetic Energy = 5739.6220085787 Potential Energy = -11479.2439899530 * Basis CGTFs CGTF# 1: Type = 1s Primitives = 6 Expnt.= 227963.1475960 34226.7773620 7787.76745442200.3668444 719.3313768 Expnt.= 249.3189406 Coeff.= .0016558 .0127016 .0632719 .2229822 .4621898 Coeff.= .3773045 CGTF# 2: Type = 1s Primitives = 3 Expnt.= 474.2941172 58.7977729 25.1814290 Coeff.= -.1145791 .6388102 .4368068 CGTF# 3: Type = 1s Primitives = 3 Expnt.= 45.5751564 8.3164966 3.7868675 Coeff.= -.2708509 .8524057 .3000061 CGTF# 4: Type = 1s Primitives = 3 Expnt.= 7.0485664 1.6087511 .7058169 Coeff.= -.3277890 .8007547 .3999801 CGTF# 5: Type = 1s Primitives = 3 Expnt.= .9569073 .1444188 .0539527 Coeff.= -.1522229 .6666061 .4396389 CGTF# 6: Type = 2p Primitives = 6 Expnt.= 6600.7604467 1564.5469078 504.5356185 190.5178022 77.2387075 Expnt.= 31.3541450 Coeff.= .0023760 .0197028 .0959097 .2863295 .4877466 Coeff.= .2808679 CGTF# 7: Type = 2p Primitives = 3 Expnt.= 138.7615395 16.7567405 6.5734283 Coeff.= -.0234222 .5068645 .5616737 CGTF# 8: Type = 2p Primitives = 3 Expnt.= 2.7354253 1.1797115 .4956042 Coeff.= .4246880 .5287361 .1318675 CGTF# 9: Type = 2p Primitives = 3 Expnt.= .2205823 .0846826 .0327519 Coeff.= .2814286 .5463044 .2920585 CGTF#10: Type = 3d Primitives = 6 Expnt.= 516.1010944 154.8668125 58.4913450 24.4426835 10.5648071 Expnt.= 4.5538409 Coeff.= .0055099 .0433817 .1735329 .3846838 .4407594 Coeff.= .1832875 CGTF#11: Type = 3d Primitives = 3 Expnt.= 4.3727920 1.5644859 .5060825 Coeff.= .2530584 .5631339 .3836228 * SCF Results S Symmetry 1S 2S 3S 4S 5S Orbital Energy = -997.6778577 -149.3256764 -29.5939912 -4.9609699 -.3680869 CGTF# 1 .9943285 -.3572472 -.1578934 .0680088 .0177214 CGTF# 2 .0173643 1.0500845 .5589113 -.2475208 -.0691556 CGTF# 3 -.0042035 .0157202 -1.1224926 .6553611 .1701176 CGTF# 4 .0014343 -.0020815 -.0059578 -1.1551611 -.4410130 CGTF# 5 -.0003118 .0003553 .0000968 -.0040216 1.0711834 P Symmetry 2P 3P 4P 5P Orbital Energy = -139.1584164 -25.3526644 -3.4944041 -.1949149 CGTF# 6 .9927383 .4683828 -.1908965 -.0382150 CGTF# 7 .0174400 -1.0805415 .6443676 .1358429 CGTF# 8 -.0018682 -.0362736 -1.1453776 -.3067967 CGTF# 9 .0002729 .0035381 -.0026741 1.0349254 D Symmetry 3D 4D Orbital Energy = -17.5744725 -1.0493218 CGTF#10 .9970109 .3536545 CGTF#11 .0090503 -1.0578376 ======================================================================================== TIN K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(2), 3P (63333/6333/63) Nuclear Charge = 50.00 Symmetry Species S P D Number of CGTFs 5 4 2 Number of Closed Shells 5 3 2 Number of Open Shells 0 1 0 Open Shell Occupation Numbers 0 2 0 Maximum iteration in SCF = 999 SCF convergence threshold for coefficients = 1.00D-08 Maximum iteration in Jacobi = 999 Convergence threshold in Jacobi = 1.00D-20 Accuracy of LN(Zeta) & Cntr.Coeff. when optimized = 1.00D-07 Accuracy of Total Energy when optimized = 1.00D-10 * Vector Coupling Coefficients K110 = -6.66666666666667D-01 K112 = -6.66666666666667D-02 ### Total Energy = -6022.3694234532 Virial Ratio = -1.9999999905 Kinetic Energy = 6022.3694808780 Potential Energy = -12044.7389043312 * Basis CGTFs CGTF# 1: Type = 1s Primitives = 6 Expnt.= 237752.1416460 35696.4791395 8122.17278482294.8927498 750.3397127 Expnt.= 260.1051145 Coeff.= .0016526 .0126780 .0631633 .2226910 .4619382 Coeff.= .3779047 CGTF# 2: Type = 1s Primitives = 3 Expnt.= 494.4024561 61.3884165 26.3412735 Coeff.= -.1147616 .6386539 .4369507 CGTF# 3: Type = 1s Primitives = 3 Expnt.= 47.6643192 8.7406819 3.9798495 Coeff.= -.2726520 .8569317 .2966723 CGTF# 4: Type = 1s Primitives = 3 Expnt.= 7.4687023 1.7276380 .7748201 Coeff.= -.3339677 .8029185 .4010700 CGTF# 5: Type = 1s Primitives = 3 Expnt.= 1.0965488 .1750950 .0668548 Coeff.= -.1842193 .7004302 .4190618 CGTF# 6: Type = 2p Primitives = 6 Expnt.= 6916.7284759 1639.4817688 528.7864471 199.7477321 81.0146070 Expnt.= 32.9289240 Coeff.= .0023570 .0195594 .0953469 .2853604 .4876621 Coeff.= .2822351 CGTF# 7: Type = 2p Primitives = 3 Expnt.= 144.6604972 17.6402298 6.9642502 Coeff.= -.0234860 .5064832 .5613262 CGTF# 8: Type = 2p Primitives = 3 Expnt.= 2.9308053 1.2755360 .5446239 Coeff.= .4285158 .5292340 .1240788 CGTF# 9: Type = 2p Primitives = 3 Expnt.= .2609405 .1059599 .0427620 Coeff.= .3308641 .5393893 .2380175 CGTF#10: Type = 3d Primitives = 6 Expnt.= 544.2739434 163.3748949 61.7614778 25.8405743 11.1811464 Expnt.= 4.8360552 Coeff.= .0054635 .0431683 .1733715 .3857552 .4418621 Coeff.= .1797065 CGTF#11: Type = 3d Primitives = 3 Expnt.= 4.8513651 1.7685422 .5913445 Coeff.= .2480376 .5674040 .3744073 * SCF Results S Symmetry 1S 2S 3S 4S 5S Orbital Energy = -1041.0975740 -156.9069520 -31.5692385 -5.4985179 -.4725037 CGTF# 1 .9942839 -.3577757 -.1588752 .0693690 .0197862 CGTF# 2 .0174836 1.0501692 .5619324 -.2526900 -.0758969 CGTF# 3 -.0042776 .0158085 -1.1237920 .6671990 .1930420 CGTF# 4 .0014916 -.0021368 -.0058240 -1.1600822 -.4733007 CGTF# 5 -.0003489 .0003891 .0000950 -.0044165 1.0804384 P Symmetry 2P 3P 4P 5P Orbital Energy = -146.4772291 -27.1892792 -3.9580727 -.2625987 CGTF# 6 .9925648 .4714907 -.1956418 -.0457325 CGTF# 7 .0177721 -1.0808288 .6596144 .1631124 CGTF# 8 -.0019639 -.0376040 -1.1515441 -.3677289 CGTF# 9 .0003294 .0041275 -.0027939 1.0495033 D Symmetry 3D 4D Orbital Energy = -19.1500230 -1.3570459 CGTF#10 .9968523 .3708894 CGTF#11 .0091322 -1.0635742 ========================================================================================== ANTIMONY K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(3), 4S (63333/6333/63) Nuclear Charge = 51.00 Symmetry Species S P D Number of CGTFs 5 4 2 Number of Closed Shells 5 3 2 Number of Open Shells 0 1 0 Open Shell Occupation Numbers 0 3 0 Maximum iteration in SCF = 999 SCF convergence threshold for coefficients = 1.00D-08 Maximum iteration in Jacobi = 999 Convergence threshold in Jacobi = 1.00D-20 Accuracy of LN(Zeta) & Cntr.Coeff. when optimized = 1.00D-07 Accuracy of Total Energy when optimized = 1.00D-10 * Vector Coupling Coefficients K110 = -3.33333333333333D-01 K112 = -1.33333333333333D-01 ### Total Energy = -6312.9064227526 Virial Ratio = -2.0000000361 Kinetic Energy = 6312.9061948199 Potential Energy = -12625.8126175726 * Basis CGTFs CGTF# 1: Type = 1s Primitives = 6 Expnt.= 247756.1583230 37198.1943722 8463.81060222391.4639502 782.0219103 Expnt.= 271.1253134 Coeff.= .0016496 .0126549 .0630575 .2224064 .4616926 Coeff.= .3784912 CGTF# 2: Type = 1s Primitives = 3 Expnt.= 514.9297370 64.0342479 27.5275758 Coeff.= -.1149378 .6385241 .4370674 CGTF# 3: Type = 1s Primitives = 3 Expnt.= 49.8028040 9.1759337 4.1761825 Coeff.= -.2743851 .8613123 .2934596 CGTF# 4: Type = 1s Primitives = 3 Expnt.= 7.9019409 1.8476783 .8439445 Coeff.= -.3401211 .8091674 .3981663 CGTF# 5: Type = 1s Primitives = 3 Expnt.= 1.2309788 .2063781 .0801284 Coeff.= -.2114661 .7230972 .4084953 CGTF# 6: Type = 2p Primitives = 6 Expnt.= 7242.6869530 1716.7582281 553.7694714 209.2439565 84.8940109 Expnt.= 34.5466859 Coeff.= .0023375 .0194126 .0947769 .2843942 .4876061 Coeff.= .2835933 CGTF# 7: Type = 2p Primitives = 3 Expnt.= 150.6847015 18.5471267 7.3669316 Coeff.= -.0235442 .5061348 .5609840 CGTF# 8: Type = 2p Primitives = 3 Expnt.= 3.1323653 1.3749385 .5925791 Coeff.= .4326003 .5300195 .1161572 CGTF# 9: Type = 2p Primitives = 3 Expnt.= .3042125 .1274494 .0528111 Coeff.= .3660397 .5297448 .2047455 CGTF#10: Type = 3d Primitives = 6 Expnt.= 574.1904729 172.4112250 65.2386771 27.3315632 11.8415240 Expnt.= 5.1353557 Coeff.= .0053995 .0428253 .1727664 .3861746 .4431723 Coeff.= .1772672 CGTF#11: Type = 3d Primitives = 3 Expnt.= 5.3336238 1.9745072 .6775634 Coeff.= .2444985 .5715453 .3658525 * SCF Results S Symmetry 1S 2S 3S 4S 5S Orbital Energy = -1085.4594213 -164.6858236 -33.6067546 -6.0502155 -.5782092 CGTF# 1 .9942403 .3582857 .1598243 .0706947 .0215579 CGTF# 2 .0176004 -1.0502528 -.5648472 -.2577911 -.0815922 CGTF# 3 -.0043503 -.0158891 1.1250909 .6786654 .2129768 CGTF# 4 .0015463 .0021877 .0056190 -1.1649431 -.4995171 CGTF# 5 -.0003808 -.0004161 -.0000914 -.0047812 1.0881145 P Symmetry 2P 3P 4P 5P Orbital Energy = -153.9926345 -29.0875975 -4.4348859 -.3323434 CGTF# 6 .9923932 .4744912 -.2002920 -.0519027 CGTF# 7 .0181004 -1.0811113 .6745955 .1857359 CGTF# 8 -.0020568 -.0388510 -1.1579095 -.4178480 CGTF# 9 .0003771 .0045753 -.0023438 1.0632168 D Symmetry 3D 4D Orbital Energy = -20.7858687 -1.6770374 CGTF#10 .9967164 .3864431 CGTF#11 .0091852 -1.0689702 ========================================================================================= TELLURIUM K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(4), 3P (63333/6333/63) Nuclear Charge = 52.00 Symmetry Species S P D Number of CGTFs 5 4 2 Number of Closed Shells 5 3 2 Number of Open Shells 0 1 0 Open Shell Occupation Numbers 0 4 0 Maximum iteration in SCF = 999 SCF convergence threshold for coefficients = 1.00D-08 Maximum iteration in Jacobi = 999 Convergence threshold in Jacobi = 1.00D-20 Accuracy of LN(Zeta) & Cntr.Coeff. when optimized = 1.00D-07 Accuracy of Total Energy when optimized = 1.00D-10 * Vector Coupling Coefficients K110 = -1.66666666666667D-01 K112 = -1.66666666666667D-02 ### Total Energy = -6611.1875308381 Virial Ratio = -2.0000000489 Kinetic Energy = 6611.1872076903 Potential Energy = -13222.3747385284 * Basis CGTFs CGTF# 1: Type = 1s Primitives = 6 Expnt.= 257968.7331070 38731.7280088 8812.82696382490.1356442 814.3911879 Expnt.= 282.3822704 Coeff.= .0016466 .0126324 .0629527 .2221240 .4614534 Coeff.= .3790696 CGTF# 2: Type = 1s Primitives = 3 Expnt.= 535.8770835 66.7353637 28.7404785 Coeff.= -.1151075 .6384191 .4371588 CGTF# 3: Type = 1s Primitives = 3 Expnt.= 51.9896516 9.6231769 4.3774123 Coeff.= -.2760499 .8653718 .2905411 CGTF# 4: Type = 1s Primitives = 3 Expnt.= 8.3472739 1.9703934 .9139466 Coeff.= -.3460679 .8177528 .3929761 CGTF# 5: Type = 1s Primitives = 3 Expnt.= 1.3627288 .2396592 .0936728 Coeff.= -.2354516 .7449043 .3988319 CGTF# 6: Type = 2p Primitives = 6 Expnt.= 7572.7789571 1795.0565938 579.1224961 218.9044017 88.8503952 Expnt.= 36.1995270 Coeff.= .0023207 .0192857 .0942751 .2835083 .4875221 Coeff.= .2848261 CGTF# 7: Type = 2p Primitives = 3 Expnt.= 156.8508730 19.4749821 7.7797100 Coeff.= -.0236007 .5059336 .5605435 CGTF# 8: Type = 2p Primitives = 3 Expnt.= 3.3403744 1.4792632 .6415440 Coeff.= .4366950 .5301124 .1092783 CGTF# 9: Type = 2p Primitives = 3 Expnt.= .3607933 .1494743 .0604568 Coeff.= .3756742 .5219114 .2076400 CGTF#10: Type = 3d Primitives = 6 Expnt.= 605.8750908 181.9825305 68.9242274 28.9155490 12.5459000 Expnt.= 5.4529977 Coeff.= .0053210 .0423736 .1717878 .3860441 .4446402 Coeff.= .1757992 CGTF#11: Type = 3d Primitives = 3 Expnt.= 5.8266063 2.1862423 .7668801 Coeff.= .2416274 .5752189 .3583166 * SCF Results S Symmetry 1S 2S 3S 4S 5S Orbital Energy = -1130.7832096 -172.6814813 -35.7254361 -6.6347554 -.6972441 CGTF# 1 .9941974 .3587791 .1607411 .0719878 .0232092 CGTF# 2 .0177158 -1.0503343 -.5676778 -.2627508 -.0869917 CGTF# 3 -.0044227 -.0159648 1.1263855 .6899713 .2314552 CGTF# 4 .0016010 .0022370 .0053687 -1.1698058 -.5252214 CGTF# 5 -.0004111 -.0004405 -.0000863 -.0051458 1.0959523 P Symmetry 2P 3P 4P 5P Orbital Energy = -161.7238713 -31.0664453 -4.9436137 -.3576493 CGTF# 6 .9922314 .4773796 -.2047396 -.0569157 CGTF# 7 .0184060 -1.0814348 .6889758 .2043312 CGTF# 8 -.0021413 -.0399302 -1.1638024 -.4587697 CGTF# 9 .0004142 .0048792 -.0030347 1.0749703 D Symmetry 3D 4D Orbital Energy = -22.5010218 -2.0283772 CGTF#10 .9965897 .4007378 CGTF#11 .0092399 -1.0741026 ========================================================================================== IODINE K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(5), 2P (63333/6333/63) Nuclear Charge = 53.00 Symmetry Species S P D Number of CGTFs 5 4 2 Number of Closed Shells 5 3 2 Number of Open Shells 0 1 0 Open Shell Occupation Numbers 0 5 0 Maximum iteration in SCF = 999 SCF convergence threshold for coefficients = 1.00D-08 Maximum iteration in Jacobi = 999 Convergence threshold in Jacobi = 1.00D-20 Accuracy of LN(Zeta) & Cntr.Coeff. when optimized = 1.00D-07 Accuracy of Total Energy when optimized = 1.00D-10 * Vector Coupling Coefficients K110 = -6.66666666666667D-02 K112 = 5.33333333333333D-03 ### Total Energy = -6917.3657654266 Virial Ratio = -2.0000000454 Kinetic Energy = 6917.3654510511 Potential Energy = -13834.7312164777 * Basis CGTFs CGTF# 1: Type = 1s Primitives = 6 Expnt.= 268378.9471619 40294.4907164 9168.41290262590.6729849 847.3886923 Expnt.= 293.8644060 Coeff.= .0016438 .0126115 .0628561 .2218619 .4612201 Coeff.= .3796145 CGTF# 2: Type = 1s Primitives = 3 Expnt.= 557.2432883 69.4919196 29.9800777 Coeff.= -.1152716 .6383320 .4372319 CGTF# 3: Type = 1s Primitives = 3 Expnt.= 54.2254012 10.0822500 4.5833860 Coeff.= -.2776479 .8691429 .2878815 CGTF# 4: Type = 1s Primitives = 3 Expnt.= 8.8041071 2.0959406 .9843096 Coeff.= -.3517726 .8282373 .3859244 CGTF# 5: Type = 1s Primitives = 3 Expnt.= 1.4940365 .2740293 .1078384 Coeff.= -.2550559 .7600204 .3942544 CGTF# 6: Type = 2p Primitives = 6 Expnt.= 7910.9661966 1875.2728694 605.0955728 228.8027548 92.9042789 Expnt.= 37.8942764 Coeff.= .0023043 .0191619 .0937852 .2826389 .4874426 Coeff.= .2860327 CGTF# 7: Type = 2p Primitives = 3 Expnt.= 163.1405421 20.4266230 8.2045882 Coeff.= -.0236516 .5057337 .5601313 CGTF# 8: Type = 2p Primitives = 3 Expnt.= 3.5550035 1.5885605 .6921460 Coeff.= .4406333 .5296337 .1034080 CGTF# 9: Type = 2p Primitives = 3 Expnt.= .4165626 .1731138 .0696628 Coeff.= .3862895 .5164379 .2025497 CGTF#10: Type = 3d Primitives = 6 Expnt.= 639.1407852 192.0324901 72.7978904 30.5838358 13.2908406 Expnt.= 5.7889242 Coeff.= .0052345 .0418557 .1705607 .3855199 .4461354 Coeff.= .1750953 CGTF#11: Type = 3d Primitives = 3 Expnt.= 6.3256127 2.4012992 .8577401 Coeff.= .2396455 .5787142 .3511585 * SCF Results S Symmetry 1S 2S 3S 4S 5S Orbital Energy = -1177.0480272 -180.8732377 -37.9047652 -7.2325226 -.8179543 CGTF# 1 .9941558 .3592563 .1616272 .0732439 .0246758 CGTF# 2 .0178272 -1.0504150 -.5704227 -.2675360 -.0918636 CGTF# 3 -.0044932 -.0160350 1.1276741 .7010773 .2477988 CGTF# 4 .0016541 .0022836 .0050753 -1.1746599 -.5488091 CGTF# 5 -.0004385 -.0004612 -.0000823 -.0055000 1.1033364 P Symmetry 2P 3P 4P 5P Orbital Energy = -169.6502778 -33.1054161 -5.4650313 -.4011013 CGTF# 6 .9920712 .4801725 .2090225 -.0616951 CGTF# 7 .0187083 -1.0817412 -.7028178 .2221371 CGTF# 8 -.0022246 -.0409788 1.1694732 -.4972747 CGTF# 9 .0004499 .0051642 .0038539 1.0866570 D Symmetry 3D 4D Orbital Energy = -24.2750114 -2.3919653 CGTF#10 .9964682 .4138305 CGTF#11 .0093050 -1.0789430 =========================================================================================== XENON K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(6), 1S (63333/6333/63) Nuclear Charge = 54.00 Symmetry Species S P D Number of CGTFs 5 4 2 Number of Closed Shells 5 4 2 Number of Open Shells 0 0 0 Open Shell Occupation Numbers 0 0 0 Maximum iteration in SCF = 999 SCF convergence threshold for coefficients = 1.00D-08 Maximum iteration in Jacobi = 999 Convergence threshold in Jacobi = 1.00D-20 Accuracy of LN(Zeta) & Cntr.Coeff. when optimized = 1.00D-07 Accuracy of Total Energy when optimized = 1.00D-10 ### Total Energy = -7231.5037960706 Virial Ratio = -2.0000000403 Kinetic Energy = 7231.5035044259 Potential Energy = -14463.0073004965 * Basis CGTFs CGTF# 1: Type = 1s Primitives = 6 Expnt.= 279018.0047943 41891.7556009 9531.84802162693.4084865 881.0966228 Expnt.= 305.5876955 Coeff.= .0016410 .0125901 .0627572 .2215953 .4609926 Coeff.= .3801626 CGTF# 2: Type = 1s Primitives = 3 Expnt.= 579.0298509 72.3033430 31.2457340 Coeff.= -.1154299 .6382724 .4372776 CGTF# 3: Type = 1s Primitives = 3 Expnt.= 56.5096700 10.5532791 4.7943103 Coeff.= -.2791839 .8726273 .2854809 CGTF# 4: Type = 1s Primitives = 3 Expnt.= 9.2727354 2.2243733 1.0546479 Coeff.= -.3571853 .8402506 .3773313 CGTF# 5: Type = 1s Primitives = 3 Expnt.= 1.6259797 .3097458 .1227496 Coeff.= -.2711298 .7705232 .3929706 CGTF# 6: Type = 2p Primitives = 6 Expnt.= 8258.4867989 1957.7031841 631.7804079 238.9679478 97.0634982 Expnt.= 39.6327058 Coeff.= .0022878 .0190365 .0932889 .2817624 .4873836 Coeff.= .2872433 CGTF# 7: Type = 2p Primitives = 3 Expnt.= 169.5592407 21.4013915 8.6410903 Coeff.= -.0236978 .5055644 .5597194 CGTF# 8: Type = 2p Primitives = 3 Expnt.= 3.7759146 1.7024625 .7443826 Coeff.= .4445051 .5286102 .0983998 CGTF# 9: Type = 2p Primitives = 3 Expnt.= .4727884 .1979200 .0798658 Coeff.= .3961071 .5123561 .1951151 CGTF#10: Type = 3d Primitives = 6 Expnt.= 673.5642506 202.4357917 76.8112556 32.3156509 14.0671699 Expnt.= 6.1397172 Coeff.= .0051485 .0413322 .1692756 .3848236 .4475451 Coeff.= .1747900 CGTF#11: Type = 3d Primitives = 3 Expnt.= 6.8324223 2.6205509 .9505007 Coeff.= .2382788 .5820010 .3444059 * SCF Results S Symmetry 1S 2S 3S 4S 5S Orbital Energy = -1224.2548174 -189.2619063 -40.1455537 -7.8447146 -.9413505 CGTF# 1 .9941148 .3597179 .1624833 .0744617 .0260022 CGTF# 2 .0179375 -1.0504950 -.5730863 -.2721369 -.0963702 CGTF# 3 -.0045628 -.0160975 1.1289569 .7119828 .2624614 CGTF# 4 .0017062 .0023273 .0047450 -1.1795056 -.5711791 CGTF# 5 -.0004637 -.0004793 -.0000795 -.0058234 1.1105326 P Symmetry 2P 3P 4P 5P Orbital Energy = -177.7726887 -35.2053298 -6.0004914 -.4552794 CGTF# 6 .9919125 .4828755 .2132893 -.0656268 CGTF# 7 .0190080 -1.0820562 -.7166638 .2371048 CGTF# 8 -.0023050 -.0419422 1.1761673 -.5300606 CGTF# 9 .0004808 .0053537 .0021912 1.0979206 D Symmetry 3D 4D Orbital Energy = -26.1086981 -2.7691616 CGTF#10 .9963551 .4259038 CGTF#11 .0093680 -1.0835265