RUTHENIUM K(2)L(8)M(18)4S(2)4P(6)5S(1)4D(7), 5F
CHARGE = 44.000000
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 7
*** FINAL SCF RESULTS ***
E = -4528.110876216
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S
BASIS/ORB.ENERGY -817.1161100 -120.4066800 -22.4578470 -3.4378843 -0.2380346
S 2.2913010D+09 0.0000088 -0.0000029 -0.0000013 0.0000005 0.0000001
S 1.9771230D+08 0.0000398 -0.0000133 -0.0000057 0.0000023 0.0000006
S 2.8318070D+07 0.0001378 -0.0000462 -0.0000198 0.0000080 0.0000020
S 5.2667880D+06 0.0004106 -0.0001377 -0.0000589 0.0000238 0.0000059
S 1.2103250D+06 0.0010627 -0.0003570 -0.0001529 0.0000618 0.0000154
S 3.3568960D+05 0.0024542 -0.0008265 -0.0003538 0.0001430 0.0000357
S 1.0982600D+05 0.0051949 -0.0017592 -0.0007548 0.0003047 0.0000760
S 4.0551990D+04 0.0110451 -0.0037661 -0.0016131 0.0006530 0.0001632
S 1.5648690D+04 0.0252391 -0.0087392 -0.0037660 0.0015194 0.0003788
S 6.1658910D+03 0.0589563 -0.0209234 -0.0090006 0.0036521 0.0009134
S 2.5036550D+03 0.1328573 -0.0498363 -0.0217531 0.0087826 0.0021893
S 1.0546390D+03 0.2586989 -0.1080699 -0.0474981 0.0193995 0.0048587
S 4.6289790D+02 0.3599103 -0.1890604 -0.0871842 0.0354006 0.0088251
S 2.0938660D+02 0.2654100 -0.1840298 -0.0873927 0.0368527 0.0093057
S 8.9720430D+01 0.0555239 0.1539396 0.0885450 -0.0403033 -0.0103687
S 4.4210660D+01 -0.0049298 0.5838543 0.4853852 -0.2166216 -0.0546435
S 2.1566910D+01 0.0025118 0.3967117 0.3838066 -0.1984296 -0.0520863
S 8.6659190D+00 -0.0011282 0.0455261 -0.6236389 0.4396616 0.1214628
S 4.1780060D+00 0.0005170 -0.0055579 -0.6791884 0.6864663 0.1978416
S 1.3606990D+00 -0.0001819 0.0015454 -0.0541669 -0.7367139 -0.2842595
S 5.8893690D-01 0.0000796 -0.0007053 0.0082532 -0.6363664 -0.3492328
S 1.0086070D-01 -0.0000192 0.0001556 -0.0017994 -0.0226991 0.5779252
S 3.8257260D-02 0.0000086 -0.0000732 0.0007914 0.0083693 0.5843892
P 2P 3P 4P
BASIS/ORB.ENERGY -107.6232400 -18.1377260 -2.1405108
P 1.4433300D+06 0.0000163 -0.0000072 0.0000027
P 2.1323560D+05 0.0000640 -0.0000284 0.0000107
P 4.7725040D+04 0.0002346 -0.0001041 0.0000394
P 1.3679820D+04 0.0008432 -0.0003753 0.0001419
P 4.6660900D+03 0.0030141 -0.0013460 0.0005093
P 1.8021720D+03 0.0104794 -0.0047166 0.0017868
P 7.6156340D+02 0.0337251 -0.0153885 0.0058445
P 3.4443780D+02 0.0940594 -0.0441712 0.0168570
P 1.6431970D+02 0.2090568 -0.1024579 0.0394085
P 8.1639640D+01 0.3353205 -0.1743568 0.0678544
P 4.1899800D+01 0.3276741 -0.1632946 0.0627468
P 2.1801870D+01 0.1520022 0.0701082 -0.0435286
P 1.1271930D+01 0.0233813 0.4135309 -0.2152338
P 5.8951390D+00 0.0013057 0.4671858 -0.2872105
P 3.0621530D+00 0.0000332 0.1692535 0.0327604
P 1.5467710D+00 0.0000000 0.0140806 0.4826458
P 7.4958480D-01 -0.0000467 0.0013728 0.4834627
P 3.4819360D-01 0.0000036 -0.0000179 0.1609363
P 1.3161250D-01 -0.0000033 0.0000527 0.0109377
D 3D 4D
BASIS/ORB.ENERGY -11.1824660 -0.3925127
D 2.4767220D+03 0.0001671 -0.0000484
D 7.0406480D+02 0.0014639 -0.0004220
D 2.5924870D+02 0.0090505 -0.0026327
D 1.0835570D+02 0.0399059 -0.0116297
D 4.8746220D+01 0.1255915 -0.0372476
D 2.2967270D+01 0.2747649 -0.0811534
D 1.0909350D+01 0.3927231 -0.1113734
D 5.1754750D+00 0.3119032 -0.0515340
D 2.3616410D+00 0.0914891 0.1918384
D 1.0098370D+00 0.0043347 0.4310590
D 3.9065710D-01 0.0008399 0.4272681
D 1.3326060D-01 -0.0000448 0.2038036