$basis * n TZV # n (11s6p) / [5s3p] {62111/411} # SCF energy is -54.3991753741 a.u. (virial theorem = 2.000000003) # A. Schaefer, Aug. 93 * 6 s 19730.800647 .21887984991E-03 2957.8958745 .16960708803E-02 673.22133595 .87954603538E-02 190.68249494 .35359382605E-01 62.295441898 .11095789217 22.654161182 .24982972552 2 s 8.9791477428 .40623896148 3.6863002370 .24338217176 1 s .84660076805 1.0000000000 1 s .33647133771 1.0000000000 1 s .13647653675 1.0000000000 4 p 49.200380510 .55552416751E-02 11.346790537 .38052379723E-01 3.4273972411 .14953671029 1.1785525134 .34949305230 1 p .41642204972 .45843153697 1 p .14260826011 .24428771672 * $end