HOLMIUM [XE]6S(2)5D(0)4F(11), 4I
CHARGE = 67.000000
SYMMETRY SPECIES S P D F
NUMBER OF BASIS FUNCTIONS 27 23 15 10
NUMBER OF CLOSED SHELLS 6 4 2 0
NUMBER OF OPEN SHELLS 0 0 0 1
OPEN SHELL OCCUPATION NUMBER 0 0 0 11
*** FINAL SCF RESULTS ***
E =-12612.972427060
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S
BASIS/ORB.ENERGY -2054.6366000 -348.2719500 -79.7413760 -16.6828740 -2.2540362 -0.1893934
S 5.7876523D+10 0.0000042 -0.0000016 0.0000007 0.0000004 -0.0000001 0.0000000
S 6.2850111D+09 0.0000156 -0.0000057 0.0000027 0.0000013 -0.0000005 0.0000001
S 1.0452967D+09 0.0000484 -0.0000178 0.0000083 0.0000040 -0.0000015 0.0000004
S 2.0945137D+08 0.0001307 -0.0000481 0.0000225 0.0000109 -0.0000042 0.0000010
S 5.1656671D+07 0.0003079 -0.0001132 0.0000530 0.0000256 -0.0000098 0.0000024
S 1.4119209D+07 0.0007161 -0.0002636 0.0001233 0.0000595 -0.0000229 0.0000056
S 4.1524601D+06 0.0015629 -0.0005756 0.0002694 0.0001300 -0.0000500 0.0000123
S 1.3247094D+06 0.0032638 -0.0012062 0.0005644 0.0002725 -0.0001047 0.0000258
S 4.4802274D+05 0.0067179 -0.0024916 0.0011676 0.0005636 -0.0002166 0.0000534
S 1.5920876D+05 0.0136274 -0.0051060 0.0023932 0.0011563 -0.0004445 0.0001095
S 5.9306917D+04 0.0272895 -0.0103389 0.0048653 0.0023493 -0.0009027 0.0002225
S 2.3231077D+04 0.0539260 -0.0210136 0.0098982 0.0047921 -0.0018432 0.0004537
S 9.5046756D+03 0.1055152 -0.0425508 0.0202609 0.0097984 -0.0037657 0.0009286
S 4.0333879D+03 0.1947974 -0.0853985 0.0409126 0.0199177 -0.0076710 0.0018875
S 1.7684847D+03 0.3060004 -0.1514631 0.0749747 0.0364994 -0.0140474 0.0034674
S 7.9758700D+02 0.3222616 -0.2048867 0.1041130 0.0516858 -0.0199942 0.0049144
S 3.6973108D+02 0.1525314 -0.0409419 0.0190781 0.0081801 -0.0030373 0.0007756
S 1.5906501D+02 0.0147026 0.4817908 -0.3967413 -0.2159370 0.0851945 -0.0211263
S 7.3772579D+01 -0.0010384 0.5731163 -0.6171510 -0.3770550 0.1530284 -0.0378073
S 2.9699605D+01 0.0003784 0.1073688 0.4207132 0.4024672 -0.1802574 0.0448465
S 1.5394413D+01 -0.0002581 -0.0183134 0.8448999 1.0098767 -0.4789566 0.1220047
S 6.0531880D+00 0.0001141 0.0062747 0.1204644 -0.5871213 0.4078294 -0.1095879
S 2.9751088D+00 -0.0000507 -0.0029294 -0.0157196 -0.8722503 0.7682296 -0.2114658
S 8.1915905D-01 0.0000163 0.0008926 0.0040245 -0.0573757 -0.7158837 0.2414019
S 3.6381960D-01 -0.0000080 -0.0004246 -0.0018923 0.0137638 -0.6204867 0.3940769
S 5.9858954D-02 0.0000021 0.0001111 0.0004714 -0.0029267 -0.0195080 -0.6840715
S 2.4686956D-02 -0.0000010 -0.0000536 -0.0002273 0.0013804 0.0066372 -0.4863544
P 2P 3P 4P 5P
BASIS/ORB.ENERGY -308.8457000 -67.4134770 -12.5234220 -1.1840603
P 5.1644258D+07 0.0000064 -0.0000032 -0.0000015 -0.0000005
P 7.5767609D+06 0.0000208 -0.0000104 -0.0000049 -0.0000017
P 1.5408846D+06 0.0000629 -0.0000313 -0.0000149 -0.0000051
P 3.8872284D+05 0.0001725 -0.0000860 -0.0000409 -0.0000139
P 1.1573723D+05 0.0004660 -0.0002328 -0.0001107 -0.0000377
P 3.8629098D+04 0.0012787 -0.0006409 -0.0003050 -0.0001038
P 1.4264854D+04 0.0035481 -0.0017866 -0.0008509 -0.0002898
P 5.7410463D+03 0.0099272 -0.0050386 -0.0024043 -0.0008183
P 2.4864297D+03 0.0273422 -0.0140547 -0.0067251 -0.0022929
P 1.1429128D+03 0.0707748 -0.0372379 -0.0179139 -0.0061055
P 5.5252518D+02 0.1590095 -0.0867862 -0.0421026 -0.0143987
P 2.7835243D+02 0.2812814 -0.1615961 -0.0794126 -0.0271648
P 1.4529153D+02 0.3407032 -0.2000346 -0.0987898 -0.0339650
P 7.7670045D+01 0.2314608 -0.0555256 -0.0134642 -0.0033743
P 4.1832990D+01 0.0658069 0.3009231 0.2176881 0.0797990
P 2.2974308D+01 0.0041755 0.5137356 0.4106412 0.1561061
P 1.2583574D+01 0.0005246 0.2751725 0.0864368 0.0143652
P 6.7000124D+00 -0.0003259 0.0425051 -0.5035943 -0.2467821
P 3.4996619D+00 0.0000709 0.0019844 -0.5453964 -0.3171310
P 1.7641719D+00 -0.0000561 0.0002445 -0.1541211 0.0523166
P 8.1892405D-01 0.0000226 -0.0000009 -0.0076890 0.5243444
P 3.6975839D-01 -0.0000086 -0.0000046 -0.0007738 0.4931037
P 1.5265564D-01 0.0000022 0.0000033 0.0001664 0.1083447
D 3D 4D
BASIS/ORB.ENERGY -51.4664570 -6.7375325
D 1.6015423D+04 0.0000664 -0.0000317
D 4.0094325D+03 0.0005105 -0.0002450
D 1.4167510D+03 0.0028563 -0.0013707
D 5.9601133D+02 0.0127213 -0.0061649
D 2.7754372D+02 0.0448925 -0.0218981
D 1.3769700D+02 0.1236117 -0.0616097
D 7.1309138D+01 0.2521384 -0.1256772
D 3.7808077D+01 0.3548863 -0.1701714
D 2.0478399D+01 0.2948463 -0.0787252
D 1.1112848D+01 0.1177077 0.1980555
D 5.9822558D+00 0.0174400 0.4134097
D 3.2156846D+00 0.0013427 0.3622880
D 1.7131879D+00 0.0001349 0.1587317
D 8.8302399D-01 0.0000951 0.0320142
D 3.7752870D-01 0.0000062 0.0023764
F 4F
BASIS/ORB.ENERGY -0.5060055
F 3.8182905D+02 0.0008353
F 1.3100528D+02 0.0071226
F 5.6068719D+01 0.0326710
F 2.6275594D+01 0.0969716
F 1.2975211D+01 0.2033995
F 6.4614937D+00 0.2959872
F 3.1490364D+00 0.3205140
F 1.4679062D+00 0.2652930
F 6.3169612D-01 0.1659881
F 2.3710188D-01 0.0617090