INDIUM K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(1), 2P (74333/7433/74) 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 = -5740.0558552408 Virial Ratio = -2.0000000474 Kinetic Energy = 5740.0555829706 Potential Energy = -11480.1114382114 * Basis CGTFs CGTF# 1: Type = 1s Primitives = 7 Expnt.= 518633.1882297 77790.728460817703.22436045008.90921541635.5488564 Expnt.= 585.6442852 217.4624336 Coeff.= .0005986 .0046275 .0237709 .0927439 .2620823 Coeff.= .4618740 .2972677 CGTF# 2: Type = 1s Primitives = 4 Expnt.= 1210.0903883 378.2423341 64.1499379 27.5292667 Coeff.= -.0264298 -.1253217 .5701420 .5233447 CGTF# 3: Type = 1s Primitives = 3 Expnt.= 45.5142374 8.3973026 3.8787723 Coeff.= -.2730286 .8362037 .3173896 CGTF# 4: Type = 1s Primitives = 3 Expnt.= 7.0395225 1.6161506 .7102384 Coeff.= -.3296591 .7974080 .4046214 CGTF# 5: Type = 1s Primitives = 3 Expnt.= .9747395 .1445910 .0541856 Coeff.= -.1564516 .6730736 .4336699 CGTF# 6: Type = 2p Primitives = 7 Expnt.= 11752.3688351 2785.8645933 901.8579313 342.2425127 143.3783341 Expnt.= 63.3834969 27.6522447 Coeff.= .0008726 .0074866 .0394536 .1433726 .3327662 Coeff.= .4423225 .2088181 CGTF# 7: Type = 2p Primitives = 4 Expnt.= 122.5357938 20.1888081 9.5278475 4.3821500 Coeff.= -.0222343 .3046265 .5517170 .2267255 CGTF# 8: Type = 2p Primitives = 3 Expnt.= 2.6247527 1.1642628 .4996295 Coeff.= .4505082 .5002342 .1318418 CGTF# 9: Type = 2p Primitives = 3 Expnt.= .2160040 .0835204 .0324515 Coeff.= .2878934 .5450554 .2857757 CGTF#10: Type = 3d Primitives = 7 Expnt.= 861.1692155 259.3175667 99.8132047 43.0064624 19.5547998 Expnt.= 8.9874052 3.9305451 Coeff.= .0018580 .0162934 .0765779 .2231914 .3932502 Coeff.= .3907199 .1318319 CGTF#11: Type = 3d Primitives = 4 Expnt.= 6.0749792 2.4519688 .9686638 .3487209 Coeff.= .1202010 .4156563 .4721607 .2098798 * SCF Results S Symmetry 1S 2S 3S 4S 5S Orbital Energy = -997.7652076 -149.3863702 -29.6202169 -4.9741772 -.3718526 CGTF# 1 .9966100 -.3361505 -.1466894 .0630566 .0164621 CGTF# 2 .0108640 1.0423725 .5530919 -.2449494 -.0685486 CGTF# 3 -.0022602 .0220316 -1.1182389 .6528773 .1714931 CGTF# 4 .0007566 -.0032901 -.0069858 -1.1543625 -.4392839 CGTF# 5 -.0001645 .0005935 .0002007 -.0042471 1.0704740 P Symmetry 2P 3P 4P 5P Orbital Energy = -139.1688979 -25.3715127 -3.5051829 -.1966981 CGTF# 6 .9947462 .4771334 -.1954643 -.0389460 CGTF# 7 .0124959 -1.0988474 .6509663 .1362688 CGTF# 8 -.0014380 -.0094204 -1.1591086 -.3075492 CGTF# 9 .0001896 .0004715 -.0024269 1.0344357 D Symmetry 3D 4D Orbital Energy = -17.5873024 -1.0614047 CGTF#10 .9983645 .3628987 CGTF#11 .0048174 -1.0622636 ========================================================================================== TIN K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(2), 3P (74333/7433/74) 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 = -6022.8146509744 Virial Ratio = -2.0000000276 Kinetic Energy = 6022.8144845445 Potential Energy = -12045.6291355189 * Basis CGTFs CGTF# 1: Type = 1s Primitives = 7 Expnt.= 540999.4978902 81146.037351518466.84847505224.94255221706.1734124 Expnt.= 610.9416960 226.8808348 Coeff.= .0005974 .0046178 .0237230 .0925782 .2617295 Coeff.= .4618070 .2978429 CGTF# 2: Type = 1s Primitives = 4 Expnt.= 1260.2989577 394.0484334 67.0469907 28.8314836 Coeff.= -.0264986 -.1255835 .5688411 .5247310 CGTF# 3: Type = 1s Primitives = 3 Expnt.= 47.5992817 8.8267422 4.0805864 Coeff.= -.2748670 .8404028 .3143937 CGTF# 4: Type = 1s Primitives = 3 Expnt.= 7.4587286 1.7357838 .7796223 Coeff.= -.3358654 .7992616 .4060704 CGTF# 5: Type = 1s Primitives = 3 Expnt.= 1.1093886 .1752284 .0670537 Coeff.= -.1875823 .7045713 .4153552 CGTF# 6: Type = 2p Primitives = 7 Expnt.= 12319.8400047 2920.3405763 945.4621117 358.8651044 150.4208837 Expnt.= 66.5307183 29.0522256 Coeff.= .0008649 .0074245 .0391658 .1425717 .3316908 Coeff.= .4427748 .2102208 CGTF# 7: Type = 2p Primitives = 4 Expnt.= 128.0961733 21.1999127 10.0635537 4.6513913 Coeff.= -.0223837 .3047247 .5506052 .2269436 CGTF# 8: Type = 2p Primitives = 3 Expnt.= 2.8213816 1.2677418 .5549214 Coeff.= .4510243 .5006294 .1274490 CGTF# 9: Type = 2p Primitives = 3 Expnt.= .2593675 .1056639 .0427156 Coeff.= .3337363 .5385418 .2353897 CGTF#10: Type = 3d Primitives = 7 Expnt.= 919.5100292 276.9508575 106.7043052 46.0492801 20.9969815 Expnt.= 9.6911988 4.2622679 Coeff.= .0017925 .0157892 .0747226 .2196731 .3909842 Coeff.= .3933077 .1353264 CGTF#11: Type = 3d Primitives = 4 Expnt.= 6.6683237 2.7283464 1.1019968 .4088195 Coeff.= .1182570 .4168141 .4738608 .1970572 * SCF Results S Symmetry 1S 2S 3S 4S 5S Orbital Energy = -1041.1871193 -156.9686122 -31.5948651 -5.5103414 -.4757727 CGTF# 1 .9965829 .3366598 .1476017 .0643043 .0183573 CGTF# 2 .0109380 -1.0423664 -.5560313 -.2500171 -.0751271 CGTF# 3 -.0022983 -.0223003 1.1193881 .6645590 .1938565 CGTF# 4 .0007861 .0034016 .0069402 -1.1591997 -.4714964 CGTF# 5 -.0001836 -.0006545 -.0002095 -.0046420 1.0797207 P Symmetry 2P 3P 4P 5P Orbital Energy = -146.4865673 -27.2066772 -3.9673948 -.2645333 CGTF# 6 .9946340 .4800280 -.2001862 -.0468141 CGTF# 7 .0127139 -1.0997464 .6668161 .1645768 CGTF# 8 -.0015097 -.0098120 -1.1660087 -.3709255 CGTF# 9 .0002286 .0005485 -.0025862 1.0493591 D Symmetry 3D 4D Orbital Energy = -19.1615055 -1.3676960 CGTF#10 .9981462 .3796320 CGTF#11 .0052487 -1.0678898 ========================================================================================== ANTIMONY K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(3), 4S (74333/7433/74) 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 = -6313.3642074801 Virial Ratio = -2.0000000471 Kinetic Energy = 6313.3639104306 Potential Energy = -12626.7281179108 * Basis CGTFs CGTF# 1: Type = 1s Primitives = 7 Exponents = 563818.2540382 84567.7583380 19245.3874952 5445.2680997 1778.2477711 Exponents = 636.7724967 236.5007862 Cntr.Coeff.= 0.0005962 0.0046090 0.0236790 0.0924228 0.2613905 Cntr.Coeff.= 0.4617349 0.2983969 CGTF# 2: Type = 1s Primitives = 4 Exponents = 1311.6109086 410.1933335 70.0066472 30.1640126 Cntr.Coeff.= -0.0265621 -0.1258372 0.5676154 0.5260367 CGTF# 3: Type = 1s Primitives = 3 Exponents = 49.7326539 9.2679841 4.2870448 Cntr.Coeff.= -0.2766396 0.8443767 0.3116006 CGTF# 4: Type = 1s Primitives = 3 Exponents = 7.8907810 1.8567620 0.8493174 Cntr.Coeff.= -0.3420018 0.8050709 0.4036427 CGTF# 5: Type = 1s Primitives = 3 Exponents = 1.2403840 0.2065749 0.0803486 Cntr.Coeff.= -0.2139020 0.7256037 0.4063036 CGTF# 6: Type = 2p Primitives = 7 Exponents = 12903.3875951 3058.7030007 990.3744819 375.9938325 157.6769654 Exponents = 69.7710957 30.4929576 Cntr.Coeff.= 0.0008573 0.0073623 0.0388735 0.1417554 0.3306002 Cntr.Coeff.= 0.4432508 0.2116437 CGTF# 7: Type = 2p Primitives = 4 Exponents = 133.7917465 22.2339604 10.6140370 4.9290179 Cntr.Coeff.= -0.0225209 0.3049114 0.5494373 0.2271723 CGTF# 8: Type = 2p Primitives = 3 Exponents = 3.0242614 1.3749526 0.6098938 Cntr.Coeff.= 0.4521228 0.5014261 0.1224847 CGTF# 9: Type = 2p Primitives = 3 Exponents = 0.3035468 0.1274373 0.0528617 Cntr.Coeff.= 0.3674009 0.5291584 0.2035709 CGTF#10: Type = 3d Primitives = 7 Exponents = 979.2367544 295.0147534 113.7614757 49.1616327 22.4696406 Exponents = 10.4090117 4.6012654 Cntr.Coeff.= 0.0017344 0.0153390 0.0730667 0.2165678 0.3890740 Cntr.Coeff.= 0.3955553 0.1382804 CGTF#11: Type = 3d Primitives = 4 Exponents = 7.2549319 3.0033112 1.2357204 0.4686577 Cntr.Coeff.= 0.1173966 0.4188303 0.4744526 0.1859110 * SCF Results S Symmetry 1S 2S 3S 4S 5S Orbital Energy = -1085.5516795 -164.7489541 -33.6322851 -6.0612325 -0.5812035 CGTF# 1 0.9965566 0.3371509 0.1484823 0.0655211 0.0199907 CGTF# 2 0.0110103 -1.0423618 -0.5588728 -0.2550088 -0.0807310 CGTF# 3 -0.0023357 -0.0225555 1.1205333 0.6759358 0.2133230 CGTF# 4 0.0008143 0.0035062 0.0068404 -1.1639975 -0.4981319 CGTF# 5 -0.0002001 -0.0007051 -0.0002164 -0.0050100 1.0875657 P Symmetry 2P 3P 4P 5P Orbital Energy = -154.0012844 -29.1040337 -4.4432828 -0.3342590 CGTF# 6 0.9945217 0.4828246 -0.2048132 -0.0531304 CGTF# 7 0.0129327 -1.1006289 0.6824108 0.1876366 CGTF# 8 -0.0015791 -0.0101557 -1.1731114 -0.4219358 CGTF# 9 0.0002604 0.0005980 -0.0021933 1.0630986 D Symmetry 3D 4D Orbital Energy = -20.7964874 -1.6867663 CGTF#10 0.9979450 0.3947591 CGTF#11 0.0056238 -1.0731717 ============================================================================================= TELLURIUM K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(4), 3P (74333/7433/74) 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 = -6611.6586579385 Virial Ratio = -2.0000000376 Kinetic Energy = 6611.6584090708 Potential Energy = -13223.3170670092 * Basis CGTFs CGTF# 1: Type = 1s Primitives = 7 Expnt.= 587168.2359685 88070.679384120042.61850895670.81465231851.9884868 Expnt.= 663.1830554 246.3319362 Coeff.= .0005950 .0045997 .0236331 .0922631 .2610500 Coeff.= .4616698 .2989534 CGTF# 2: Type = 1s Primitives = 4 Expnt.= 1363.8947915 426.6499806 73.0346586 31.5301614 Coeff.= -.0266255 -.1260844 .5663774 .5273530 CGTF# 3: Type = 1s Primitives = 3 Expnt.= 51.9142972 9.7216115 4.4993011 Coeff.= -.2783495 .8480099 .3091214 CGTF# 4: Type = 1s Primitives = 3 Expnt.= 8.3349553 1.9805510 .9200871 Coeff.= -.3479604 .8131296 .3990243 CGTF# 5: Type = 1s Primitives = 3 Expnt.= 1.3701858 .2398787 .0938918 Coeff.= -.2372029 .7465174 .3974181 CGTF# 6: Type = 2p Primitives = 7 Expnt.= 13506.5518838 3201.6495819 1036.6995901 393.6323692 165.1441569 Expnt.= 73.1031156 31.9733876 Coeff.= .0008494 .0072981 .0385771 .1409344 .3295064 Coeff.= .4437448 .2130729 CGTF# 7: Type = 2p Primitives = 4 Expnt.= 139.6199344 23.2903529 11.1778491 5.2137168 Coeff.= -.0226473 .3052160 .5482866 .2273144 CGTF# 8: Type = 2p Primitives = 3 Expnt.= 3.2347199 1.4883326 .6668080 Coeff.= .4530451 .5018437 .1184561 CGTF# 9: Type = 2p Primitives = 3 Expnt.= .3602189 .1493583 .0604627 Coeff.= .3769899 .5216225 .2063146 CGTF#10: Type = 3d Primitives = 7 Expnt.= 1039.5921889 313.2620420 120.8918578 52.3113874 23.9625615 Expnt.= 11.1386230 4.9474826 Coeff.= .0016853 .0149587 .0716646 .2139206 .3874486 Coeff.= .3973671 .1407234 CGTF#11: Type = 3d Primitives = 4 Expnt.= 7.8456976 3.2826152 1.3729646 .5305349 Coeff.= .1170306 .4209703 .4742954 .1763625 * SCF Results S Symmetry 1S 2S 3S 4S 5S Orbital Energy = -1130.8783897 -172.7462686 -35.7510375 -6.6451792 -.7000309 CGTF# 1 .9965304 .3376264 .1493333 .0667087 .0215161 CGTF# 2 .0110824 -1.0423529 -.5616233 -.2598651 -.0860492 CGTF# 3 -.0023730 -.0228117 1.1216624 .6871282 .2314354 CGTF# 4 .0008426 .0036111 .0067068 -1.1687791 -.5241272 CGTF# 5 -.0002158 -.0007523 -.0002224 -.0053837 1.0955272 P Symmetry 2P 3P 4P 5P Orbital Energy = -161.7319717 -31.0820863 -4.9512707 -.3594188 CGTF# 6 .9944116 .4855263 -.2092414 -.0582307 CGTF# 7 .0131463 -1.1015082 .6974000 .2065470 CGTF# 8 -.0016435 -.0104348 -1.1797235 -.4633939 CGTF# 9 .0002848 .0006408 -.0029278 1.0748077 D Symmetry 3D 4D Orbital Energy = -22.5109278 -2.0373506 CGTF#10 .9977585 .4086718 CGTF#11 .0059539 -1.0781926 ============================================================================================= IODINE K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(5), 2P (74333/7433/74) 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 = -6917.8509987906 Virial Ratio = -2.0000000907 Kinetic Energy = 6917.8503711556 Potential Energy = -13835.7013699462 * Basis CGTFs CGTF# 1: Type = 1s Primitives = 7 Exponents = 610985.9012392 91642.9206081 20855.7103967 5900.8932039 1927.2142819 Exponents = 690.1261260 256.3627794 Cntr.Coeff.= 0.0005939 0.0045910 0.0235893 0.0921104 0.2607246 Cntr.Coeff.= 0.4616060 0.2994863 CGTF# 2: Type = 1s Primitives = 4 Exponents = 1417.2882398 443.4465911 76.1249201 32.9265354 Cntr.Coeff.= -0.0266840 -0.1263239 0.5652148 0.5285885 CGTF# 3: Type = 1s Primitives = 3 Exponents = 54.1451156 10.1867289 4.7159693 Cntr.Coeff.= -0.2799863 0.8514802 0.3067732 CGTF# 4: Type = 1s Primitives = 3 Exponents = 8.7910467 2.1067722 0.9909652 Cntr.Coeff.= -0.3536506 0.8234149 0.3921877 CGTF# 5: Type = 1s Primitives = 3 Exponents = 1.5001176 0.2743135 0.1080853 Cntr.Coeff.= -0.2562713 0.7609014 0.3934850 CGTF# 6: Type = 2p Primitives = 7 Exponents = 14110.8605443 3344.8945618 1083.1821574 411.3719134 172.6769757 Exponents = 76.4805049 33.4810661 Cntr.Coeff.= 0.0008432 0.0072478 0.0383418 0.1402729 0.3285603 Cntr.Coeff.= 0.4440773 0.2142949 CGTF# 7: Type = 2p Primitives = 4 Exponents = 145.5679723 24.3741495 11.7595702 5.5083983 Cntr.Coeff.= -0.0227636 0.3054207 0.5470983 0.2276266 CGTF# 8: Type = 2p Primitives = 3 Exponents = 3.4525898 1.6078716 0.7268260 Cntr.Coeff.= 0.4537922 0.5017742 0.1153627 CGTF# 9: Type = 2p Primitives = 3 Exponents = 0.4158214 0.1728076 0.0696079 Cntr.Coeff.= 0.3879288 0.5160672 0.2010435 CGTF#10: Type = 3d Primitives = 7 Exponents = 1101.7367234 332.0563257 128.2302993 55.5486480 25.4951479 Exponents = 11.8868311 5.3028781 Cntr.Coeff.= 0.0016399 0.0146047 0.0703620 0.2114848 0.3860092 Cntr.Coeff.= 0.3990469 0.1428882 CGTF#11: Type = 3d Primitives = 4 Exponents = 8.4361488 3.5631400 1.5116239 0.5926649 Cntr.Coeff.= 0.1172422 0.4236156 0.4734479 0.1677519 * SCF Results S Symmetry 1S 2S 3S 4S 5S Orbital Energy = -1177.1463771 -180.9399101 -37.9306481 -7.2425874 -0.8206116 CGTF# 1 0.9965050 0.3380855 0.1501549 0.0678628 -0.0228711 CGTF# 2 0.0111522 -1.0423459 -0.5642898 -0.2645534 0.0908554 CGTF# 3 -0.0024093 -0.0230554 1.1227920 0.6981217 -0.2474731 CGTF# 4 0.0008701 0.0037113 0.0065214 -1.1735598 0.5479882 CGTF# 5 -0.0002299 -0.0007937 -0.0002274 -0.0057332 -1.1030376 P Symmetry 2P 3P 4P 5P Orbital Energy = -169.6580093 -33.1204542 -5.4721557 -0.4027879 CGTF# 6 -0.9943078 0.4881457 -0.2135072 -0.0630811 CGTF# 7 -0.0133457 -1.1023685 0.7118699 0.2246547 CGTF# 8 0.0017048 -0.0107017 -1.1861059 -0.5023376 CGTF# 9 -0.0003078 0.0006857 -0.0038183 1.0864025 D Symmetry 3D 4D Orbital Energy = -24.2843945 -2.4003900 CGTF#10 0.9975860 0.4214372 CGTF#11 0.0062458 -1.0829350 =========================================================================================== XENON K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(6), 1S (74333/7433/74) 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 = -7232.0037913303 Virial Ratio = -2.0000000592 Kinetic Energy = 7232.0033631970 Potential Energy = -14464.0071545273 * Basis CGTFs CGTF# 1: Type = 1s Primitives = 7 Expnt.= 635194.9968558 95274.254591521682.20126056134.88314922003.8022242 Expnt.= 717.5852685 266.5923172 Coeff.= .0005929 .0045833 .0235509 .0919723 .2604165 Coeff.= .4615329 .2999921 CGTF# 2: Type = 1s Primitives = 4 Expnt.= 1471.7024289 460.5691068 79.2795094 34.3541071 Coeff.= -.0267405 -.1265554 .5640968 .5297765 CGTF# 3: Type = 1s Primitives = 3 Expnt.= 56.4245482 10.6637270 4.9377144 Coeff.= -.2815606 .8547255 .3046210 CGTF# 4: Type = 1s Primitives = 3 Expnt.= 9.2593321 2.2355813 1.0616378 Coeff.= -.3590350 .8354439 .3835740 CGTF# 5: Type = 1s Primitives = 3 Expnt.= 1.6312100 .3100682 .1230086 Coeff.= -.2719860 .7710096 .3925364 CGTF# 6: Type = 2p Primitives = 7 Expnt.= 14752.0375730 3496.9035921 1132.4553036 430.1279332 180.6117106 Expnt.= 80.0111802 35.0461304 Coeff.= .0008350 .0071803 .0380268 .1393928 .3274098 Coeff.= .4446540 .2157943 CGTF# 7: Type = 2p Primitives = 4 Expnt.= 151.6562509 25.4788881 12.3548115 5.8112019 Coeff.= -.0228693 .3057691 .5458399 .2278977 CGTF# 8: Type = 2p Primitives = 3 Expnt.= 3.6770612 1.7324660 .7891250 Coeff.= .4546530 .5013404 .1127719 CGTF# 9: Type = 2p Primitives = 3 Expnt.= .4717479 .1973936 .0797518 Coeff.= .3981520 .5117263 .1934970 CGTF#10: Type = 3d Primitives = 7 Expnt.= 1164.0266388 350.9215226 135.6087926 58.8125901 27.0450894 Expnt.= 12.6460317 5.6648659 Coeff.= .0016025 .0143116 .0692773 .2094324 .3847780 Coeff.= .4003781 .1446356 CGTF#11: Type = 3d Primitives = 4 Expnt.= 9.0304270 3.8470628 1.6528396 .6556498 Coeff.= .1178024 .4264444 .4720942 .1600911 * SCF Results S Symmetry 1S 2S 3S 4S 5S Orbital Energy = -1224.3564948 -189.3306042 -40.1718460 -7.8545651 -.9439256 CGTF# 1 .9964803 .3385302 .1509492 .0689828 -.0240966 CGTF# 2 .0112199 -1.0423398 -.5668729 -.2690630 .0952986 CGTF# 3 -.0024448 -.0232899 1.1239139 .7089066 -.2618957 CGTF# 4 .0008969 .0038082 .0062992 -1.1783312 .5705142 CGTF# 5 -.0002430 -.0008310 -.0002331 -.0060442 -1.1103203 P Symmetry 2P 3P 4P 5P Orbital Energy = -177.7801462 -35.2198788 -6.0072055 -.4569117 CGTF# 6 .9941958 .4906774 .2177561 -.0670661 CGTF# 7 .0135649 -1.1032137 -.7263484 .2399146 CGTF# 8 -.0017670 -.0109136 1.1935140 -.5354838 CGTF# 9 .0003274 .0006723 .0022401 1.0975525 D Symmetry 3D 4D Orbital Energy = -26.1176658 -2.7771616 CGTF#10 .9974313 .4332266 CGTF#11 .0064923 -1.0874338