$basis * ge TZV # ge (17s12p6d) / [6s5p2d] {842111/63111/51} # only 2 p GTOs for 4p AO # SCF energy is -2075.3151346008 a.u. (virial theorem = 1.999999993) # R. Ahlrichs, Sept. 93 * 8 s 466115.00592 .22487264660E-03 69875.420762 .17435426729E-02 15903.276716 .90691482206E-02 4501.8233453 .36906174685E-01 1466.0570924 .12050167907 527.07841728 .28748641703 205.00395074 .41622321885 81.251596065 .22397845695 4 s 505.74661282 -.25184609291E-01 156.96593744 -.11898929721 25.761448176 .54930135870 11.106654687 .52939309129 2 s 17.272059104 -.22854595728 2.9438289048 .68377930317 1 s 1.2839164916 1.0000000000 1 s .25873337445 1.0000000000 1 s .93524913177E-01 1.0000000000 6 p 2633.9346241 .22143925310E-02 624.00161628 .18140899141E-01 200.58528404 .86632184922E-01 75.097081525 .25649020592 30.214388474 .42658611262 12.440087567 .26200527313 3 p 45.981316002 -.20321767678E-01 6.9945654416 .32013744527 2.9686001327 .59051014555 1 p 1.2320988495 1.0000000000 1 p .28981614974 1.0000000000 1 p .85564606447E-01 1.0000000000 5 d 119.44887581 .10586544521E-01 35.062915293 .69601280945E-01 12.636924529 .22807035287 4.8888672922 .40301067220 1.8453195392 .41304847015 1 d .63571158892 .19639209740 * $end