$basis * sc TZV # sc (17s10p6d) / [6s3p3d] {842111/631/411} # SCF energy is -759.7212876457 a.u. (virial theorem = 1.999999996) # R. Ahlrichs, Sept. 93 * 8 s 191612.91874 .23076475942E-03 28723.850363 .17890329946E-02 6537.0116490 .92990401140E-02 1850.3097171 .37739438011E-01 602.38855156 .12227148359 216.17324766 .28814821470 83.712517880 .40517543099 32.908707189 .20566019623 4 s 211.34393234 -.24527991462E-01 65.128920139 -.11570158142 10.034311535 .55995283317 4.1596884597 .56087765073 2 s 6.0009041613 -.22840494325 .98255784150 .71948970378 1 s .42483192773 1.0000000000 1 s .77185462096E-01 1.0000000000 1 s .30147219702E-01 1.0000000000 6 p 947.34122823 .24737208744E-02 224.09699732 .19742967060E-01 71.560334882 .90357147549E-01 26.444824490 .25201602503 10.393798285 .39675535929 4.1606304559 .23208624517 3 p 15.565737135 -.27129423974E-01 2.1121544865 .55109256629 .84184709021 1.0090635806 1 p .32297542652 1.0000000000 4 d 30.989390993 .11902837431E-01 8.6905465069 .67655856850E-01 2.9520256337 .21332539722 1.0761910745 .38391075578 1 d .38338915095 .43354716259 1 d .12534686113 .24509263822 * $end