$basis * zn TZV # zn (17s10p6d) / [6s3p3d] {842111/631/411} # SCF energy is -1777.8041670399 a.u. (virial theorem = 2.000000005) # R. Ahlrichs, Sept. 93 * 8 s 405924.31028 .22442017483E-03 60846.955735 .17402086626E-02 13847.343092 .90513339565E-02 3919.6158551 .36817341445E-01 1276.3594167 .12004850256 458.67254435 .28576057621 178.28725246 .41087462062 70.612192837 .21816962456 4 s 443.88077950 -.24934274984E-01 137.55875267 -.11817955766 22.268083479 .55367318468 9.5217310606 .52628934936 2 s 14.874114065 -.22929955254 2.4647517612 .71135484742 1 s 1.0113272238 1.0000000000 1 s .14919852089 1.0000000000 1 s .51441872981E-01 1.0000000000 6 p 2205.3508534 .23356240448E-02 522.35300699 .19031022634E-01 167.73055542 .89955758675E-01 62.670045373 .26113248631 25.109749456 .42348448173 10.225142681 .24618926885 3 p 40.713442521 -.30029667592E-01 5.6247090696 .55575254864 2.2279949116 .95581013442 1 p .83354741691 1.0000000000 4 d 88.554315311 .12728170015E-01 25.721525557 .79394499843E-01 9.1278367624 .24491506805 3.4312364064 .40390526479 1 d 1.2308920645 .40158491145 1 d .39031845112 .21579805034 * $end