$basis * se TZV # se (17s13p6d) / [6s5p2d] {842111/64111/51} # SCF energy is -2399.8183560388 a.u. (virial theorem = 1.999999979) # R. Ahlrichs, Sept. 93 * 8 s 531071.66696 .24108973168E-03 79603.044117 .18696431441E-02 18115.844240 .97271616536E-02 5127.8923194 .39604793031E-01 1669.9130839 .12948855136 600.57534527 .30959437289 233.70021247 .45115769216 92.672443932 .24579189033 4 s 571.57513675 -.26895707881E-01 177.63686375 -.12670989353 29.517767052 .57699001719 12.824399795 .56369075408 2 s 19.848235841 -.25132415534 3.4744018486 .72905416980 1 s 1.5988910849 1.0000000000 1 s .38333469387 1.0000000000 1 s .14049742459 1.0000000000 6 p 2815.3500566 .25569026854E-02 666.92558298 .20874026901E-01 214.34213188 .98772096250E-01 80.246687942 .28471821221 32.251081288 .45003584934 13.106432562 .24416091055 4 p 53.366108516 -.21558456273E-01 8.1827777195 .32662310638 3.6239945672 .57740499319 1.6341591401 .34301320826 1 p .58418320228 1.0000000000 1 p .23966269279 1.0000000000 1 p .88785134803E-01 1.0000000000 5 d 151.82910279 .93970276988E-02 44.839992523 .64086503991E-01 16.328999510 .21834238004 6.4305057612 .40314789649 2.5048025169 .41966491490 1 d .90271148434 .18366663432 * $end