PALLADIUM K(2)L(8)M(18)4S(2)4P(6)5S(0)4D(10), 1S
CHARGE = 46.000000
SYMMETRY SPECIES S P D
NUMBER OF BASIS FUNCTIONS 23 19 12
NUMBER OF CLOSED SHELLS 4 3 2
NUMBER OF OPEN SHELLS 0 0 0
OPEN SHELL OCCUPATION NUMBER 0 0 0
*** FINAL SCF RESULTS ***
E = -5042.907433628
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S
BASIS/ORB.ENERGY -899.4492100 -134.3806500 -25.5307030 -3.8387510
S 1.0514600D+09 0.0000166 -0.0000056 -0.0000024 -0.0000010
S 1.2177690D+08 0.0000583 -0.0000197 -0.0000085 -0.0000035
S 2.1652850D+07 0.0001725 -0.0000583 -0.0000252 -0.0000104
S 4.7998030D+06 0.0004610 -0.0001559 -0.0000675 -0.0000278
S 1.2237080D+06 0.0011518 -0.0003900 -0.0001689 -0.0000696
S 3.5235040D+05 0.0026789 -0.0009097 -0.0003941 -0.0001623
S 1.1369570D+05 0.0059609 -0.0020353 -0.0008826 -0.0003637
S 4.0045200D+04 0.0132276 -0.0045561 -0.0019769 -0.0008144
S 1.5077210D+04 0.0294800 -0.0103208 -0.0044933 -0.0018533
S 6.0255250D+03 0.0650587 -0.0234333 -0.0102274 -0.0042165
S 2.5375220D+03 0.1371261 -0.0522571 -0.0230458 -0.0095335
S 1.1158770D+03 0.2522242 -0.1071991 -0.0478967 -0.0198254
S 5.0951880D+02 0.3421690 -0.1803799 -0.0837571 -0.0350345
S 2.3924080D+02 0.2604681 -0.1811533 -0.0879413 -0.0368890
S 1.1051610D+02 0.0660920 0.0865154 0.0517755 0.0221629
S 5.5782290D+01 -0.0020031 0.5185694 0.4016263 0.1871081
S 2.8003580D+01 0.0023391 0.4719975 0.4922282 0.2404980
S 1.2744070D+01 -0.0015245 0.0984229 -0.2089400 -0.1176528
S 6.9481750D+00 0.0011011 -0.0116697 -0.7653720 -0.6814720
S 3.6695430D+00 -0.0006237 0.0062988 -0.3329198 -0.3907801
S 1.7771000D+00 0.0002802 -0.0024850 -0.0251142 0.6306690
S 8.4223930D-01 -0.0001026 0.0007796 -0.0010788 0.6995733
S 3.6214420D-01 0.0000228 -0.0001836 -0.0003669 0.1273981
P 2P 3P 4P
BASIS/ORB.ENERGY -120.2687200 -20.7648610 -2.4005444
P 1.4515300D+06 0.0000195 -0.0000087 0.0000034
P 2.1430360D+05 0.0000765 -0.0000344 0.0000133
P 4.7983560D+04 0.0002794 -0.0001259 0.0000488
P 1.3714470D+04 0.0010044 -0.0004540 0.0001761
P 4.6695630D+03 0.0035682 -0.0016190 0.0006276
P 1.8041900D+03 0.0122993 -0.0056284 0.0021881
P 7.6189240D+02 0.0392203 -0.0182252 0.0070941
P 3.4442840D+02 0.1072383 -0.0514112 0.0201601
P 1.6427330D+02 0.2306614 -0.1157232 0.0456645
P 8.1599440D+01 0.3494390 -0.1861692 0.0746767
P 4.1887370D+01 0.3086503 -0.1450918 0.0554092
P 2.1763920D+01 0.1231813 0.1304914 -0.0736895
P 1.1271320D+01 0.0146890 0.4636370 -0.2587405
P 5.9225490D+00 0.0010691 0.4273483 -0.2677076
P 3.0323550D+00 -0.0002012 0.1177340 0.1560711
P 1.5370540D+00 0.0000604 0.0054436 0.5269151
P 7.4601760D-01 -0.0000783 0.0017171 0.4111985
P 3.4394500D-01 0.0000132 -0.0001443 0.1122677
P 1.2756040D-01 -0.0000060 0.0000976 0.0064308
D 3D 4D
BASIS/ORB.ENERGY -13.1922810 -0.3264560
D 2.6648900D+03 0.0001891 -0.0000569
D 7.4702560D+02 0.0016548 -0.0004873
D 2.7679020D+02 0.0099111 -0.0029902
D 1.1633710D+02 0.0433137 -0.0129370
D 5.2053150D+01 0.1380823 -0.0425185
D 2.4191290D+01 0.2997793 -0.0904497
D 1.1336250D+01 0.4084288 -0.1198077
D 5.3113190D+00 0.2832844 -0.0162420
D 2.3214210D+00 0.0612437 0.2716317
D 9.7178560D-01 0.0000542 0.4401549
D 3.6940300D-01 0.0008487 0.3732542
D 1.2267130D-01 -0.0002206 0.1769291