$basis * co TZV # co (17s10p6d) / [6s3p3d] {842111/631/411} # SCF energy is -1381.3838953813 a.u. (virial theorem = 1.999999986) # calculation performed in Oh-symmetry with 3d-occupation eg**4 t2g**3 # R. Ahlrichs, Sept. 93 * 8 s 325817.01553 .22568462484E-03 48839.636453 .17499397533E-02 11114.937307 .91003134097E-02 3146.1603642 .36996256837E-01 1024.4378465 .12044269621 368.02508816 .28598731649 142.91229205 .40908312004 56.482649209 .21500145739 4 s 356.40298318 -.24767059678E-01 110.31165215 -.11702139134 17.659634834 .55215522200 7.5059030479 .53246877060 2 s 11.501807176 -.22942470077 1.9081994606 .71180933514 1 s .79396696891 1.0000000000 1 s .12444448829 1.0000000000 1 s .44444645379E-01 1.0000000000 6 p 1731.1369144 .23905767685E-02 409.91750438 .19382999967E-01 131.45648578 .90905448509E-01 48.987439714 .26146681577 19.537078992 .42157264570 7.9287281634 .24571813557 3 p 31.076017584 -.29438069973E-01 4.2835180697 .55615568168 1.7022921563 .96772195064 1 p .64202908602 1.0000000000 4 d 68.140745239 .11983845360E-01 19.685241019 .73688540475E-01 6.9322128825 .23085496779 2.6025125694 .39281059225 1 d .94016837302 .40203412228 1 d .30381457794 .21415606743 * $end