LUTECIUM [XE]6S(2)5D(1)4F(14), 2D
CHARGE = 71.000000
SYMMETRY SPECIES S P D F
NUMBER OF BASIS FUNCTIONS 27 23 15 10
NUMBER OF CLOSED SHELLS 6 4 2 1
NUMBER OF OPEN SHELLS 0 0 1 0
OPEN SHELL OCCUPATION NUMBER 0 0 1 0
*** FINAL SCF RESULTS ***
E =-14560.876057985
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S
BASIS/ORB.ENERGY -2339.7104000 -403.1665400 -93.4968140 -19.6892710 -2.6990209 -0.2212884
S 6.7013119D+10 0.0000051 -0.0000019 0.0000009 0.0000004 -0.0000002 0.0000000
S 7.2167178D+09 0.0000189 -0.0000071 0.0000033 0.0000016 -0.0000006 0.0000002
S 1.1715292D+09 0.0000583 -0.0000218 0.0000103 0.0000050 -0.0000019 0.0000005
S 2.3523312D+08 0.0001577 -0.0000591 0.0000279 0.0000136 -0.0000053 0.0000014
S 5.5877724D+07 0.0003825 -0.0001432 0.0000676 0.0000329 -0.0000128 0.0000033
S 1.4949778D+07 0.0008772 -0.0003286 0.0001551 0.0000755 -0.0000293 0.0000076
S 4.3630170D+06 0.0019018 -0.0007131 0.0003367 0.0001639 -0.0000636 0.0000165
S 1.3753405D+06 0.0039949 -0.0015027 0.0007095 0.0003454 -0.0001342 0.0000348
S 4.5654052D+05 0.0082471 -0.0031171 0.0014740 0.0007174 -0.0002787 0.0000724
S 1.6043537D+05 0.0164542 -0.0062815 0.0029717 0.0014478 -0.0005626 0.0001460
S 5.9637104D+04 0.0324880 -0.0125803 0.0059763 0.0029103 -0.0011304 0.0002936
S 2.3233144D+04 0.0635719 -0.0253232 0.0120498 0.0058840 -0.0022877 0.0005938
S 9.4740409D+03 0.1209216 -0.0502461 0.0241857 0.0117990 -0.0045846 0.0011910
S 4.0327313D+03 0.2138696 -0.0967788 0.0469376 0.0230679 -0.0089825 0.0023311
S 1.7797539D+03 0.3152734 -0.1635249 0.0821645 0.0403697 -0.0157106 0.0040836
S 8.0787768D+02 0.3023321 -0.1953703 0.1003796 0.0504409 -0.0197404 0.0051224
S 3.7492607D+02 0.1204765 0.0118700 -0.0136806 -0.0092261 0.0038277 -0.0009876
S 1.7216227D+02 0.0075023 0.5044887 -0.4321178 -0.2388498 0.0954559 -0.0249019
S 8.1759054D+01 0.0006427 0.5328907 -0.5811365 -0.3630577 0.1495102 -0.0390680
S 3.4046202D+01 -0.0005157 0.0952358 0.4674130 0.4600643 -0.2093811 0.0553969
S 1.7673598D+01 0.0002981 -0.0146720 0.8170867 0.9848103 -0.4733789 0.1265645
S 7.0840926D+00 -0.0001426 0.0050065 0.1149692 -0.6177934 0.4342762 -0.1215094
S 3.4795073D+00 0.0000735 -0.0023332 -0.0144446 -0.8547540 0.7698560 -0.2278067
S 9.9316525D-01 -0.0000245 0.0007287 0.0038702 -0.0571479 -0.7064890 0.2630686
S 4.4583214D-01 0.0000116 -0.0003435 -0.0018085 0.0131822 -0.6383991 0.4087380
S 7.7213035D-02 -0.0000030 0.0000872 0.0004360 -0.0026920 -0.0224235 -0.6913818
S 3.0533522D-02 0.0000014 -0.0000401 -0.0002001 0.0012044 0.0069976 -0.4912698
P 2P 3P 4P 5P
BASIS/ORB.ENERGY -355.2852100 -78.8116270 -14.7653610 -1.4363369
P 5.5602773D+07 0.0000081 -0.0000041 -0.0000019 -0.0000007
P 7.7657459D+06 0.0000271 -0.0000136 -0.0000065 -0.0000023
P 1.5895843D+06 0.0000794 -0.0000400 -0.0000192 -0.0000066
P 4.0181095D+05 0.0002186 -0.0001103 -0.0000530 -0.0000183
P 1.1860334D+05 0.0005911 -0.0002991 -0.0001436 -0.0000495
P 3.9300000D+04 0.0016178 -0.0008216 -0.0003950 -0.0001363
P 1.4430354D+04 0.0044489 -0.0022717 -0.0010929 -0.0003772
P 5.7931246D+03 0.0123286 -0.0063496 -0.0030632 -0.0010576
P 2.4978215D+03 0.0336297 -0.0175752 -0.0084993 -0.0029362
P 1.1437173D+03 0.0853550 -0.0457625 -0.0222876 -0.0077097
P 5.5139771D+02 0.1846254 -0.1030102 -0.0505732 -0.0175250
P 2.7775014D+02 0.3061693 -0.1799120 -0.0897325 -0.0311900
P 1.4503033D+02 0.3339410 -0.1922122 -0.0945203 -0.0327554
P 7.7447456D+01 0.1918674 0.0155381 0.0304712 0.0123265
P 4.1750155D+01 0.0413832 0.3894856 0.2920836 0.1101100
P 2.3226948D+01 0.0018459 0.4786942 0.3857347 0.1471518
P 1.2936387D+01 0.0001456 0.2027366 -0.0452374 -0.0419622
P 7.0260649D+00 -0.0001347 0.0261195 -0.5460101 -0.2776896
P 3.7445047D+00 -0.0000153 0.0014643 -0.4822376 -0.2855291
P 1.8991908D+00 -0.0000062 0.0001518 -0.1179453 0.1086467
P 9.1463474D-01 0.0000018 0.0000044 -0.0042649 0.5364111
P 4.2267369D-01 -0.0000002 -0.0000058 -0.0009455 0.4616558
P 1.7333636D-01 0.0000001 0.0000025 0.0002074 0.0932713
D 3D 4D 5D
BASIS/ORB.ENERGY -60.7226650 -8.1475931 -0.1871820
D 1.6241493D+04 0.0000852 -0.0000414 0.0000075
D 4.2789882D+03 0.0006039 -0.0002955 0.0000550
D 1.5245971D+03 0.0033232 -0.0016240 0.0002953
D 6.4085771D+02 0.0146793 -0.0072575 0.0013510
D 2.9556552D+02 0.0525668 -0.0261618 0.0047763
D 1.4352658D+02 0.1484782 -0.0756438 0.0141333
D 7.1896175D+01 0.3011086 -0.1523893 0.0278038
D 3.6657075D+01 0.3884762 -0.1808164 0.0338000
D 1.8884237D+01 0.2499433 0.0209112 -0.0110891
D 9.5104568D+00 0.0590224 0.3860507 -0.0813242
D 4.6208226D+00 0.0031479 0.4872880 -0.1108898
D 2.1120086D+00 0.0005732 0.2233572 0.0313446
D 7.5168436D-01 -0.0000027 0.0212526 0.3196606
D 2.5140270D-01 0.0000219 -0.0013991 0.5155096
D 7.5471915D-02 -0.0000063 0.0004610 0.3965297
F 4F
BASIS/ORB.ENERGY -0.8187475
F 1.5731113D+03 -0.0000910
F 2.9592915D+02 -0.0021717
F 1.0834588D+02 -0.0153078
F 4.7088440D+01 -0.0617284
F 2.1825954D+01 -0.1658741
F 1.0480024D+01 -0.2878062
F 4.9886532D+00 -0.3424209
F 2.3047615D+00 -0.2963283
F 9.9952257D-01 -0.1869062
F 3.8102157D-01 -0.0690409