RHENIUM [XE]4F(14)6S(2)5D(5), 6S
CHARGE = 75.000000
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 5 0
*** FINAL SCF RESULTS ***
E =-16692.058502205
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S
BASIS/ORB.ENERGY -2649.4904000 -464.5559200 -109.8724200 -24.1431580 -3.6946336 -0.2704227
S 1.0105214D+11 0.0000051 -0.0000020 0.0000009 0.0000005 -0.0000002 -0.0000001
S 9.9178402D+09 0.0000212 -0.0000081 0.0000039 0.0000019 -0.0000008 -0.0000002
S 1.4004048D+09 0.0000721 -0.0000275 0.0000131 0.0000065 -0.0000027 -0.0000007
S 2.5711410D+08 0.0001969 -0.0000751 0.0000357 0.0000176 -0.0000073 -0.0000020
S 5.9901854D+07 0.0004681 -0.0001785 0.0000849 0.0000419 -0.0000173 -0.0000049
S 1.5843201D+07 0.0010691 -0.0004078 0.0001940 0.0000956 -0.0000395 -0.0000111
S 4.5989738D+06 0.0022960 -0.0008769 0.0004173 0.0002057 -0.0000850 -0.0000238
S 1.4359158D+06 0.0048297 -0.0018502 0.0008806 0.0004342 -0.0001794 -0.0000503
S 4.7003033D+05 0.0099637 -0.0038385 0.0018295 0.0009021 -0.0003726 -0.0001046
S 1.6269448D+05 0.0198451 -0.0077246 0.0036846 0.0018184 -0.0007512 -0.0002108
S 5.9724337D+04 0.0386961 -0.0153187 0.0073376 0.0036207 -0.0014959 -0.0004198
S 2.3161222D+04 0.0740595 -0.0301960 0.0145010 0.0071731 -0.0029648 -0.0008320
S 9.4327451D+03 0.1373187 -0.0587888 0.0285700 0.0141313 -0.0058425 -0.0016394
S 4.0166927D+03 0.2330449 -0.1090085 0.0534863 0.0266417 -0.0110261 -0.0030957
S 1.7814294D+03 0.3201982 -0.1736208 0.0884030 0.0440845 -0.0182729 -0.0051261
S 8.1488614D+02 0.2770230 -0.1777161 0.0917910 0.0467725 -0.0194226 -0.0054665
S 3.7788345D+02 0.0930052 0.0740332 -0.0557820 -0.0321388 0.0136205 0.0038739
S 1.8225026D+02 0.0026057 0.5226779 -0.4682288 -0.2653041 0.1135187 0.0319281
S 8.9086366D+01 0.0014161 0.4826284 -0.5283576 -0.3382066 0.1482914 0.0421963
S 3.8481558D+01 -0.0008789 0.0818788 0.5191299 0.5226337 -0.2536510 -0.0735012
S 2.0117040D+01 0.0005142 -0.0117454 0.7776672 0.9644660 -0.5021459 -0.1449976
S 8.4970481D+00 -0.0002457 0.0041294 0.1125849 -0.6001622 0.4604098 0.1389083
S 4.2217471D+00 0.0001206 -0.0018997 -0.0116320 -0.8870203 0.8669141 0.2888680
S 1.2715109D+00 -0.0000410 0.0006051 0.0032302 -0.0641204 -0.7810784 -0.3626824
S 5.8489144D-01 0.0000196 -0.0002843 -0.0015311 0.0146253 -0.6143917 -0.3819826
S 1.1453393D-01 -0.0000048 0.0000699 0.0003530 -0.0028883 -0.0215866 0.6728652
S 4.2256862D-02 0.0000020 -0.0000290 -0.0001462 0.0011588 0.0054647 0.5271216
P 2P 3P 4P 5P
BASIS/ORB.ENERGY -406.4174700 -92.3701280 -18.2805020 -2.1061242
P 5.4553082D+07 0.0000106 -0.0000054 -0.0000026 -0.0000010
P 7.7507418D+06 0.0000351 -0.0000178 -0.0000087 -0.0000033
P 1.5934334D+06 0.0001021 -0.0000520 -0.0000254 -0.0000095
P 4.0366373D+05 0.0002799 -0.0001429 -0.0000697 -0.0000262
P 1.1883930D+05 0.0007531 -0.0003855 -0.0001882 -0.0000707
P 3.9486337D+04 0.0020280 -0.0010422 -0.0005096 -0.0001916
P 1.4537295D+04 0.0055232 -0.0028558 -0.0013977 -0.0005254
P 5.8257865D+03 0.0151758 -0.0079225 -0.0038886 -0.0014637
P 2.5040419D+03 0.0408789 -0.0216910 -0.0106789 -0.0040185
P 1.1434914D+03 0.1013226 -0.0552947 -0.0274333 -0.0103516
P 5.5039936D+02 0.2107366 -0.1199574 -0.0600489 -0.0226689
P 2.7680865D+02 0.3275371 -0.1960768 -0.0997371 -0.0378679
P 1.4430410D+02 0.3184934 -0.1721770 -0.0835707 -0.0311899
P 7.6944728D+01 0.1524447 0.0971093 0.0849042 0.0350158
P 4.1603149D+01 0.0241107 0.4642942 0.3654179 0.1529284
P 2.3022137D+01 0.0011082 0.4304563 0.3314347 0.1329507
P 1.2696295D+01 -0.0002554 0.1339752 -0.2202765 -0.1312236
P 6.8469580D+00 0.0000630 0.0115243 -0.6055401 -0.3637652
P 3.6841190D+00 -0.0000997 0.0008836 -0.3617722 -0.2216892
P 1.9041662D+00 0.0000476 -0.0000536 -0.0582597 0.2907233
P 9.7102201D-01 -0.0000215 0.0000138 -0.0016166 0.5693369
P 4.7204599D-01 0.0000089 -0.0000204 -0.0004194 0.3330452
P 1.9661870D-01 -0.0000018 0.0000026 0.0000801 0.0488789
D 3D 4D 5D
BASIS/ORB.ENERGY -71.8671780 -10.6723970 -0.4336206
D 1.7746359D+04 0.0001031 -0.0000517 0.0000136
D 4.4469144D+03 0.0007686 -0.0003868 0.0001022
D 1.5616227D+03 0.0042103 -0.0021270 0.0005586
D 6.5062171D+02 0.0186208 -0.0094842 0.0025107
D 2.9756038D+02 0.0652745 -0.0336626 0.0088723
D 1.4472488D+02 0.1740530 -0.0915041 0.0243517
D 7.2910863D+01 0.3276136 -0.1705318 0.0449479
D 3.7417531D+01 0.3807349 -0.1698084 0.0439396
D 1.9294708D+01 0.2080412 0.0919390 -0.0372887
D 9.7517951D+00 0.0391280 0.4403652 -0.1387812
D 4.8121284D+00 0.0019161 0.4482922 -0.1396885
D 2.2834578D+00 0.0003050 0.1590723 0.0958943
D 9.5800244D-01 0.0000008 0.0116439 0.4246883
D 3.8057095D-01 0.0000045 0.0000277 0.4817551
D 1.3585956D-01 -0.0000024 -0.0000398 0.2282425
F 4F
BASIS/ORB.ENERGY -2.2009963
F 8.5206756D+02 0.0002812
F 3.1904614D+02 0.0021697
F 1.3897068D+02 0.0122335
F 6.6108754D+01 0.0456331
F 3.3268171D+01 0.1201515
F 1.7262090D+01 0.2350406
F 8.7627437D+00 0.3343301
F 4.2440777D+00 0.3374378
F 1.9191791D+00 0.2169076
F 7.6395347D-01 0.0668083