$basis * ti TZV # ti (17s10p6d) / [6s3p3d] {842111/631/411} # SCF energy is -848.3896524405 a.u. (virial theorem = 2.000000028) # calculation performed in Oh-symmetry with 3d-occupation eg**2 # R. Ahlrichs, Sept. 93 * 8 s 211575.69025 .23318151011E-03 31714.945058 .18079690851E-02 7217.5476543 .93984311352E-02 2042.9394247 .38156853618E-01 665.12896208 .12374757197 238.74942264 .29208551143 92.508691001 .41226800855 36.403919209 .21090534061 4 s 232.72624607 -.24920140738E-01 71.791209711 -.11746490087 11.158534615 .56503342318 4.6548135416 .56211101812 2 s 6.8034629174 -.23011425503 1.1201076403 .72103186735 1 s .48080118839 1.0000000000 1 s .85157274977E-01 1.0000000000 1 s .32657477046E-01 1.0000000000 6 p 1063.1474732 .24690839320E-02 251.56507061 .19773345523E-01 80.408554854 .90987976672E-01 29.768193269 .25559900413 11.736830556 .40489386764 4.7142375230 .23693402558 3 p 17.796803704 -.27878639615E-01 2.4272698680 .55672914668 .96823445537 1.0055447350 1 p .37056694165 1.0000000000 4 d 37.713384723 .11513835092E-01 10.692931184 .67246343996E-01 3.6728446990 .21484207775 1.3588590303 .38890892779 1 d .49213295253 .43040835243 1 d .16330520653 .23253305465 * $end