$basis * kr TZV # kr (17s13p6d) / [6s5p2d] {842111/64111/51} # SCF energy is -2752.0009217963 a.u. (virial theorem = 2.000000010) # R. Ahlrichs, Sept. 93 * 8 s 600250.97575 .23740610399E-03 89976.650781 .18410240539E-02 20476.814225 .95795580699E-02 5796.1554078 .39020650488E-01 1887.5913196 .12772645628 679.11458519 .30596521300 264.38244511 .44857474437 104.88368574 .24722957327 4 s 641.47370764 -.26745279805E-01 199.57524820 -.12571122567 33.545462954 .56483736390 14.683955144 .55972765539 2 s 22.603101860 -.25298771800 4.0650682991 .70992159965 1 s 1.9611027060 1.0000000000 1 s .52465147979 1.0000000000 1 s .19332399511 1.0000000000 6 p 3232.9589614 .24885607974E-02 765.96442694 .20379007428E-01 246.33940810 .96977188584E-01 92.365283041 .28199960954 37.199509551 .45116254358 15.172166534 .24917131496 4 p 60.931321698 -.22173603519E-01 9.4792600646 .32838462778 4.2564686326 .58124997120 1.9729313762 .32863541783 1 p .76337108716 1.0000000000 1 p .30943625526 1.0000000000 1 p .11569704458 1.0000000000 5 d 186.41760904 .86120284601E-02 55.274124345 .60394406304E-01 20.283219120 .21181331869 8.0884536976 .40366293413 3.2214033853 .42402860686 1 d 1.1952170102 .17441742274 * $end