TECHNETIUM K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(5), 6S
CHARGE = 43.000000
SYMMETRY SPECIES S P D
NUMBER OF BASIS FUNCTIONS 23 19 12
NUMBER OF CLOSED SHELLS 5 3 1
NUMBER OF OPEN SHELLS 0 0 1
OPEN SHELL OCCUPATION NUMBER 0 0 5
*** FINAL SCF RESULTS ***
E = -4283.158588404
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S
BASIS/ORB.ENERGY -777.6166800 -113.7948000 -21.0493840 -3.2987900 -0.2406757
S 1.2434930D+09 0.0000118 -0.0000039 -0.0000017 0.0000007 0.0000002
S 1.3811110D+08 0.0000430 -0.0000143 -0.0000061 0.0000024 0.0000006
S 2.4017470D+07 0.0001308 -0.0000437 -0.0000186 0.0000074 0.0000019
S 5.1186040D+06 0.0003639 -0.0001215 -0.0000517 0.0000207 0.0000054
S 1.2642730D+06 0.0009301 -0.0003111 -0.0001324 0.0000530 0.0000138
S 3.5501440D+05 0.0022146 -0.0007427 -0.0003160 0.0001265 0.0000331
S 1.1281890D+05 0.0049451 -0.0016666 -0.0007106 0.0002841 0.0000742
S 4.0070800D+04 0.0107512 -0.0036503 -0.0015537 0.0006225 0.0001630
S 1.5361320D+04 0.0239161 -0.0082353 -0.0035279 0.0014098 0.0003681
S 6.1232190D+03 0.0555747 -0.0196128 -0.0083783 0.0033643 0.0008814
S 2.4964180D+03 0.1267012 -0.0470814 -0.0204211 0.0081676 0.0021323
S 1.0533090D+03 0.2495556 -0.1030063 -0.0448965 0.0181332 0.0047570
S 4.6270880D+02 0.3580080 -0.1837619 -0.0840213 0.0338086 0.0088265
S 2.0861440D+02 0.2793057 -0.1934275 -0.0909221 0.0377270 0.0099717
S 8.9548210D+01 0.0633370 0.1229453 0.0682062 -0.0305643 -0.0082712
S 4.3508730D+01 -0.0048350 0.5854568 0.4737453 -0.2093124 -0.0552561
S 2.0912250D+01 0.0026327 0.4190239 0.4062270 -0.2037793 -0.0558888
S 8.2327740D+00 -0.0011958 0.0484274 -0.6103444 0.4153879 0.1199622
S 3.9356300D+00 0.0005614 -0.0061482 -0.6883410 0.6926790 0.2088598
S 1.2646690D+00 -0.0002063 0.0017925 -0.0556342 -0.7128742 -0.2859848
S 5.5784720D-01 0.0000936 -0.0008348 0.0091459 -0.6510532 -0.3808720
S 9.8231430D-02 -0.0000226 0.0001884 -0.0019290 -0.0226165 0.6277876
S 3.7194760D-02 0.0000100 -0.0000833 0.0008245 0.0066220 0.5484166
P 2P 3P 4P
BASIS/ORB.ENERGY -101.6294800 -16.9398480 -2.0638575
P 1.4890350D+06 0.0000146 -0.0000064 0.0000024
P 2.0890460D+05 0.0000606 -0.0000266 0.0000100
P 4.6094990D+04 0.0002223 -0.0000979 0.0000366
P 1.3270960D+04 0.0007942 -0.0003505 0.0001310
P 4.5677710D+03 0.0028166 -0.0012474 0.0004666
P 1.7801040D+03 0.0097227 -0.0043370 0.0016238
P 7.5707620D+02 0.0312818 -0.0141408 0.0053087
P 3.4347160D+02 0.0878198 -0.0407882 0.0153770
P 1.6437730D+02 0.1972232 -0.0955035 0.0362852
P 8.1935420D+01 0.3252208 -0.1667169 0.0640119
P 4.2071990D+01 0.3363534 -0.1705522 0.0652775
P 2.1870090D+01 0.1689046 0.0405095 -0.0291628
P 1.1268760D+01 0.0291391 0.3860589 -0.1957541
P 5.8655530D+00 0.0014947 0.4813312 -0.2860627
P 3.0540780D+00 0.0001860 0.1971021 -0.0284656
P 1.5960470D+00 -0.0000329 0.0201630 0.4111579
P 8.0384180D-01 -0.0000282 0.0021216 0.5088366
P 3.9140030D-01 -0.0000018 -0.0001629 0.2261542
P 1.6008010D-01 -0.0000016 0.0000581 0.0234292
D 3D 4D
BASIS/ORB.ENERGY -10.2844600 -0.5149400
D 2.4862630D+03 0.0001472 -0.0000429
D 6.9915450D+02 0.0013143 -0.0003855
D 2.5762490D+02 0.0080949 -0.0023745
D 1.0821340D+02 0.0358015 -0.0105917
D 4.8710460D+01 0.1152207 -0.0344193
D 2.2919570D+01 0.2592855 -0.0779582
D 1.0901540D+01 0.3845457 -0.1102091
D 5.1600500D+00 0.3317924 -0.0691403
D 2.3518510D+00 0.1115021 0.1636513
D 1.0005040D+00 0.0064763 0.4387158
D 4.0170000D-01 0.0006754 0.4418038
D 1.4688780D-01 -0.0001740 0.1839687