$basis * ne TZV # ne (11s6p) / [5s3p] {62111/411} # SCF energy is -128.5414927586 a.u. (virial theorem = 2.000000000) # A. Schaefer, Aug. 93 * 6 s 45069.464022 .21687155182E-03 6755.9768656 .16812736757E-02 1537.6502864 .87356062782E-02 435.51697667 .35361266922E-01 142.28655638 .11321521454 51.692153804 .26654653104 2 s 20.315870490 .39631959951 8.2021942646 .25582811251 1 s 1.9681276278 1.0000000000 1 s .77904756001 1.0000000000 1 s .30229502043 1.0000000000 4 p 99.782996032 .65569234163E-02 23.176124101 .45888009138E-01 7.1163945872 .17331287812 2.4418711435 .36475267512 1 p .83389605766 .43831075171 1 p .26607311301 .24160029835 * $end