RHODIUM K(2)L(8)M(18)4S(2)4P(6)5S(1)4D(8), 4F
CHARGE = 45.000000
SYMMETRY SPECIES S P D
NUMBER OF BASIS FUNCTIONS 23 19 12
NUMBER OF CLOSED SHELLS 4 3 1
NUMBER OF OPEN SHELLS 1 0 1
OPEN SHELL OCCUPATION NUMBER 1 0 8
*** FINAL SCF RESULTS ***
E = -4781.326572973
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S
BASIS/ORB.ENERGY -857.8155000 -127.3637100 -24.0481010 -3.7108469 -0.2355330
S 9.2937800D+08 0.0000167 -0.0000056 -0.0000024 0.0000010 0.0000002
S 1.1100870D+08 0.0000560 -0.0000188 -0.0000081 0.0000033 0.0000008
S 2.1009460D+07 0.0001598 -0.0000538 -0.0000231 0.0000095 0.0000023
S 4.7417420D+06 0.0004314 -0.0001453 -0.0000625 0.0000256 0.0000061
S 1.2170830D+06 0.0010730 -0.0003619 -0.0001559 0.0000638 0.0000152
S 3.5311060D+05 0.0024893 -0.0008420 -0.0003627 0.0001483 0.0000355
S 1.1424040D+05 0.0055722 -0.0018936 -0.0008166 0.0003343 0.0000798
S 4.0087940D+04 0.0124902 -0.0042839 -0.0018483 0.0007555 0.0001809
S 1.5046750D+04 0.0278531 -0.0096914 -0.0041955 0.0017204 0.0004094
S 6.0281360D+03 0.0614958 -0.0220281 -0.0095562 0.0039048 0.0009388
S 2.5388120D+03 0.1312310 -0.0494887 -0.0216905 0.0089302 0.0021153
S 1.1153500D+03 0.2442045 -0.1026733 -0.0455415 0.0186469 0.0045168
S 5.0996930D+02 0.3394139 -0.1746018 -0.0804033 0.0335462 0.0078657
S 2.3963150D+02 0.2718749 -0.1893696 -0.0910466 0.0374593 0.0093978
S 1.1199460D+02 0.0753634 0.0613703 0.0360227 -0.0140920 -0.0044441
S 5.4147270D+01 0.0000704 0.5332685 0.4058718 -0.1892265 -0.0435868
S 2.6319690D+01 0.0015841 0.4878491 0.5057443 -0.2406957 -0.0641136
S 1.1329400D+01 -0.0009675 0.0871509 -0.3138844 0.1703849 0.0563350
S 5.8670960D+00 0.0006228 -0.0111825 -0.7881131 0.7849564 0.1875468
S 2.9761080D+00 -0.0003078 0.0048020 -0.2289982 0.1210296 0.0710004
S 1.2411080D+00 0.0001088 -0.0015311 -0.0111752 -0.9078466 -0.4152194
S 5.3092230D-01 -0.0000297 0.0003610 0.0000485 -0.4343824 -0.1570193
S 6.2886270D-02 0.0000027 -0.0000366 -0.0000788 -0.0039786 1.0827857
P 2P 3P 4P
BASIS/ORB.ENERGY -113.9311000 -19.5085740 -2.3373279
P 1.4491960D+06 0.0000178 -0.0000079 0.0000030
P 2.1390440D+05 0.0000700 -0.0000313 0.0000120
P 4.7865170D+04 0.0002562 -0.0001146 0.0000440
P 1.3702280D+04 0.0009205 -0.0004129 0.0001587
P 4.6692180D+03 0.0032829 -0.0014780 0.0005682
P 1.8030640D+03 0.0113647 -0.0051590 0.0019872
P 7.6182740D+02 0.0363946 -0.0167611 0.0064686
P 3.4443200D+02 0.1005794 -0.0477361 0.0185352
P 1.6428620D+02 0.2198423 -0.1090267 0.0426353
P 8.1623130D+01 0.3429039 -0.1805899 0.0716168
P 4.1887000D+01 0.3187781 -0.1550832 0.0597986
P 2.1782800D+01 0.1370317 0.0999361 -0.0584588
P 1.1270260D+01 0.0187091 0.4402503 -0.2378542
P 5.9078050D+00 0.0011125 0.4490647 -0.2823979
P 3.0532760D+00 -0.0000639 0.1418117 0.0943105
P 1.5414790D+00 0.0000150 0.0093452 0.5146472
P 7.4778050D-01 -0.0000554 0.0014239 0.4477211
P 3.4790060D-01 0.0000064 -0.0000665 0.1295643
P 1.2790300D-01 -0.0000037 0.0000566 0.0075843
D 3D 4D
BASIS/ORB.ENERGY -12.2467930 -0.4267308
D 2.7333870D+03 0.0001698 -0.0000513
D 7.1971690D+02 0.0016166 -0.0004839
D 2.6281470D+02 0.0099434 -0.0030190
D 1.0905680D+02 0.0441627 -0.0133833
D 4.8689940D+01 0.1379858 -0.0427781
D 2.2909960D+01 0.2891763 -0.0885297
D 1.0963730D+01 0.3935077 -0.1161494
D 5.2380870D+00 0.2934214 -0.0356418
D 2.3729900D+00 0.0763509 0.2298086
D 1.0239690D+00 0.0023954 0.4374173
D 4.0469550D-01 0.0010801 0.3988519
D 1.4147220D-01 -0.0000477 0.1799559