BERKELIUM [RN]7S(2)6D(1)5F(8), 8H
CHARGE = 97.000000
SYMMETRY SPECIES S P D F
NUMBER OF BASIS FUNCTIONS 35 26 18 13
NUMBER OF CLOSED SHELLS 7 5 3 1
NUMBER OF OPEN SHELLS 0 0 1 1
OPEN SHELL OCCUPATION NUMBER 0 0 1 8
*** FINAL SCF RESULTS ***
E =-32113.028436026
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S 7S
BASIS/ORB.ENERGY -4878.5086000 -937.7551300 -244.2031000 -66.0198830 -15.6986110 -2.5405963 -0.2160732
S 3.2892027D+12 0.0000029 -0.0000013 0.0000006 0.0000003 -0.0000002 0.0000001 0.0000000
S 3.0899964D+11 0.0000113 -0.0000049 0.0000024 0.0000013 -0.0000006 0.0000003 0.0000001
S 4.8207415D+10 0.0000318 -0.0000138 0.0000068 0.0000036 -0.0000018 0.0000008 0.0000002
S 9.9363406D+09 0.0000768 -0.0000332 0.0000163 0.0000086 -0.0000044 0.0000020 0.0000006
S 2.4639137D+09 0.0001657 -0.0000714 0.0000351 0.0000184 -0.0000094 0.0000042 0.0000012
S 7.1816264D+08 0.0003169 -0.0001362 0.0000670 0.0000352 -0.0000179 0.0000080 0.0000023
S 2.4112093D+08 0.0005640 -0.0002421 0.0001190 0.0000625 -0.0000318 0.0000142 0.0000040
S 8.6786178D+07 0.0010379 -0.0004450 0.0002186 0.0001148 -0.0000584 0.0000261 0.0000074
S 3.0999086D+07 0.0020070 -0.0008598 0.0004224 0.0002218 -0.0001128 0.0000504 0.0000142
S 1.0788793D+07 0.0038972 -0.0016697 0.0008204 0.0004307 -0.0002191 0.0000980 0.0000277
S 3.7314394D+06 0.0074005 -0.0031754 0.0015608 0.0008194 -0.0004169 0.0001864 0.0000526
S 1.3131806D+06 0.0136178 -0.0058658 0.0028852 0.0015150 -0.0007709 0.0003447 0.0000973
S 4.7949633D+05 0.0240777 -0.0104481 0.0051462 0.0027032 -0.0013756 0.0006151 0.0001737
S 1.8441539D+05 0.0408253 -0.0179414 0.0088566 0.0046546 -0.0023690 0.0010594 0.0002992
S 7.5241162D+04 0.0662203 -0.0296864 0.0147085 0.0077381 -0.0039393 0.0017615 0.0004974
S 3.2745814D+04 0.1019515 -0.0471174 0.0234707 0.0123626 -0.0062964 0.0028165 0.0007955
S 1.5119203D+04 0.1504316 -0.0726532 0.0364993 0.0192742 -0.0098217 0.0043920 0.0012402
S 7.2606193D+03 0.2102215 -0.1083489 0.0550870 0.0291607 -0.0148737 0.0066580 0.0018808
S 3.5778952D+03 0.2560019 -0.1431936 0.0740620 0.0394307 -0.0201365 0.0090043 0.0025428
S 1.8028865D+03 0.2347539 -0.1341486 0.0691313 0.0366385 -0.0186991 0.0083847 0.0023680
S 9.2283438D+02 0.1254006 0.0120039 -0.0231423 -0.0148719 0.0079950 -0.0036611 -0.0010337
S 4.7224438D+02 0.0235488 0.3416051 -0.2906449 -0.1765256 0.0935294 -0.0421745 -0.0119393
S 2.4303673D+02 0.0004466 0.5264251 -0.5571950 -0.3591352 0.1937693 -0.0881213 -0.0249171
S 1.2136865D+02 0.0000258 0.2372446 -0.1672515 -0.1043800 0.0569414 -0.0254347 -0.0072971
S 7.0362717D+01 -0.0000097 -0.0060862 0.6814134 0.7621364 -0.4849865 0.2284106 0.0653147
S 3.9241971D+01 -0.0000495 0.0153474 0.5873367 0.8445499 -0.5677466 0.2755586 0.0783299
S 2.1307633D+01 0.0000457 -0.0089988 0.1273559 -0.3805414 0.3672337 -0.1937503 -0.0552203
S 1.2029259D+01 -0.0000263 0.0052374 -0.0047244 -0.9828002 1.3501293 -0.7934147 -0.2356223
S 6.4534654D+00 0.0000152 -0.0026248 0.0041036 -0.2493206 0.0618378 0.0245858 0.0118098
S 3.3025315D+00 -0.0000074 0.0011345 -0.0018448 -0.0034875 -1.2941689 1.2575595 0.4028203
S 1.3208083D+00 0.0000036 -0.0005715 0.0008192 -0.0018537 -0.3298828 0.3401409 0.1295683
S 7.6137158D-01 -0.0000022 0.0003447 -0.0004937 0.0009331 0.0770814 -1.1301538 -0.5171533
S 3.2053513D-01 0.0000006 -0.0000857 0.0001268 -0.0001664 -0.0160984 -0.4668698 -0.3665253
S 8.0533533D-02 -0.0000001 0.0000210 -0.0000305 0.0000442 0.0035521 -0.0036090 0.6772218
S 3.0587145D-02 0.0000000 -0.0000076 0.0000111 -0.0000158 -0.0012767 -0.0005292 0.5636497
P 2P 3P 4P 5P 6P
BASIS/ORB.ENERGY -769.4860800 -197.4644900 -50.5289400 -10.6840620 -1.2231982
P 4.9766933D+08 0.0000086 -0.0000046 -0.0000024 -0.0000012 0.0000005
P 6.9915323D+07 0.0000271 -0.0000144 -0.0000076 -0.0000038 0.0000015
P 1.4087366D+07 0.0000737 -0.0000394 -0.0000208 -0.0000103 0.0000041
P 3.4776980D+06 0.0001835 -0.0000981 -0.0000519 -0.0000256 0.0000101
P 9.9569896D+05 0.0004313 -0.0002311 -0.0001224 -0.0000604 0.0000239
P 3.1998383D+05 0.0009895 -0.0005318 -0.0002819 -0.0001391 0.0000550
P 1.1263540D+05 0.0022612 -0.0012206 -0.0006477 -0.0003199 0.0001266
P 4.2923413D+04 0.0051780 -0.0028114 -0.0014941 -0.0007379 0.0002919
P 1.7537005D+04 0.0119871 -0.0065645 -0.0034961 -0.0017282 0.0006844
P 7.5960252D+03 0.0279730 -0.0155079 -0.0082853 -0.0040975 0.0016209
P 3.4611860D+03 0.0640545 -0.0362099 -0.0194421 -0.0096325 0.0038179
P 1.6526864D+03 0.1357322 -0.0789583 -0.0427201 -0.0211964 0.0083871
P 8.2353396D+02 0.2439438 -0.1474576 -0.0806136 -0.0401447 0.0159437
P 4.2624286D+02 0.3279031 -0.2022027 -0.1111450 -0.0553435 0.0218690
P 2.2726215D+02 0.2737389 -0.1149467 -0.0511274 -0.0238446 0.0094830
P 1.2346845D+02 0.1091069 0.2063039 0.1822432 0.1022688 -0.0420704
P 6.8720218D+01 0.0127413 0.4986265 0.4489906 0.2541934 -0.1028204
P 3.8429821D+01 0.0009344 0.3547059 0.2175196 0.1015779 -0.0412543
P 2.1104062D+01 -0.0005109 0.0805371 -0.4449054 -0.3791593 0.1730752
P 1.1817515D+01 0.0002213 0.0021663 -0.6133209 -0.5948726 0.2688763
P 6.4532889D+00 -0.0001491 0.0008344 -0.1927798 0.1444573 -0.1090899
P 3.4948093D+00 0.0000913 -0.0005126 -0.0099508 0.7335656 -0.5058348
P 1.8226846D+00 -0.0000362 0.0001353 -0.0015209 0.3744906 -0.1825442
P 8.2754257D-01 0.0000149 -0.0000594 0.0004348 0.0367747 0.5236273
P 3.7852822D-01 -0.0000059 0.0000235 -0.0001436 -0.0008326 0.5827555
P 1.5436163D-01 0.0000015 -0.0000059 0.0000325 0.0001965 0.1348082
D 3D 4D 5D 6D
BASIS/ORB.ENERGY -157.2325500 -35.1038540 -5.3023512 -0.1898966
D 4.5059762D+04 0.0000991 0.0000568 0.0000261 -0.0000063
D 1.1182070D+04 0.0006364 0.0003652 0.0001682 -0.0000405
D 3.7258842D+03 0.0033664 0.0019437 0.0008955 -0.0002147
D 1.4735942D+03 0.0148288 0.0086136 0.0039780 -0.0009579
D 6.5358776D+02 0.0527345 0.0310599 0.0143779 -0.0034488
D 3.1501255D+02 0.1435632 0.0859837 0.0400129 -0.0096544
D 1.6240470D+02 0.2736713 0.1643284 0.0763744 -0.0182853
D 8.8906637D+01 0.3390276 0.1878461 0.0856874 -0.0207941
D 5.1477445D+01 0.2512490 0.0568999 0.0105711 -0.0013008
D 3.0567672D+01 0.1143601 -0.2122923 -0.1384995 0.0339443
D 1.7372994D+01 0.0230028 -0.4605953 -0.2944436 0.0761017
D 9.6488175D+00 0.0005125 -0.3597094 -0.1389945 0.0270332
D 5.1238938D+00 0.0002533 -0.0942733 0.3569149 -0.1088623
D 2.6323700D+00 -0.0001469 -0.0037157 0.5501894 -0.1798671
D 1.2662372D+00 0.0000304 -0.0006086 0.2604115 0.0198463
D 4.9650708D-01 -0.0000159 0.0001811 0.0276124 0.3589610
D 1.8244067D-01 0.0000044 -0.0000617 -0.0015234 0.5178372
D 6.0430199D-02 -0.0000018 0.0000215 0.0003896 0.3295432
F 4F 5F
BASIS/ORB.ENERGY -19.6100330 -0.6023390
F 2.1120694D+03 -0.0002590 -0.0000924
F 7.1321228D+02 -0.0022930 -0.0008161
F 3.0406689D+02 -0.0127523 -0.0045688
F 1.4684618D+02 -0.0482029 -0.0172620
F 7.5210755D+01 -0.1334542 -0.0481534
F 3.9847433D+01 -0.2636681 -0.0925288
F 2.1238294D+01 -0.3595294 -0.1146442
F 1.1247084D+01 -0.3088417 -0.0462770
F 5.7897264D+00 -0.1314995 0.1702873
F 2.8242064D+00 -0.0181164 0.3814600
F 1.3138584D+00 -0.0004089 0.3967809
F 5.7146932D-01 -0.0001060 0.2510685
F 2.2045794D-01 -0.0000092 0.0822315