$basis * mn TZV # mn (17s10p6d) / [6s3p3d] {842111/631/411} # SCF energy is -1149.8425787274 a.u. (virial theorem = 2.000000010) # A. Schaefer, Sept. 93 * 8 s 277185.00153 .22838385133E-03 41550.769890 .17707650375E-02 9455.9700152 .92077209994E-02 2676.5206482 .37415971825E-01 871.46687530 .12164861426 312.98306420 .28824392499 121.44454051 .41041600847 47.922598829 .21372375145 4 s 303.66723163 -.24589926140E-01 93.881403187 -.11602608038 14.879421214 .55112059677 6.2865200745 .53707560756 2 s 9.4858591337 -.22889262695 1.5698706158 .71196169587 1 s .65903213608 1.0000000000 1 s .10686292371 1.0000000000 1 s .39267435433E-01 1.0000000000 6 p 1444.7978182 .23994136455E-02 342.06551197 .19369286864E-01 109.58400891 .90236108988E-01 40.747988173 .25745467851 16.188626566 .41272351958 6.5484505964 .24087700007 3 p 25.357086437 -.28707174058E-01 3.4830168782 .55208100712 1.3858800906 .97226901379 1 p .52555094893 1.0000000000 4 d 56.563189119 .11543245294532D-01 16.278734711 .70299845987196D-01 5.6964273914 .22450770821295 2.1411147942 .39703065434226 1 d .78291801938 .41941039165375 1 d .25952311214 .21887261672743 * $end