$basis * cl TZV # cl (14s9p) / [5s4p] {73211/6111} # SCF energy is -459.4694074024 a.u. (virial theorem = 2.000000000) # A. Schaefer, Aug. 93 * 7 s 69507.990945 .54314897497E-03 10426.156880 .41990463961E-02 2373.2334061 .21592141679E-01 671.56420071 .84598850094E-01 218.41999790 .24757249724 77.572249714 .47016930228 28.888815277 .37436370716 3 s 127.10527185 .25182166603E-01 39.339582961 .10786112456 7.6740679989 -.27408821574 2 s 3.8745627630 1.3213875014 1.8385832573 .68636955368 1 s .50229057542 1.0000000000 1 s .17962723420 1.0000000000 6 p 666.50423284 .23632663836E-02 157.64241690 .18879300374E-01 50.262520978 .87206341273E-01 18.536078105 .25285612970 7.2940532777 .43507154820 2.9433248995 .35026513165 1 p 1.0404970818 1.0000000000 1 p .38456415080 1.0000000000 1 p .13069642732 1.0000000000 * cl TZVE # cl (15s9p) / [6s4p] {732111/6111} # SCF energy is -459.4695875188 a.u. (virial theorem = 2.000032359) # A. Schaefer, Aug. 93 * 7 s 69507.990945 .54314897497E-03 10426.156880 .41990463961E-02 2373.2334061 .21592141679E-01 671.56420071 .84598850094E-01 218.41999790 .24757249724 77.572249714 .47016930228 28.888815277 .37436370716 3 s 127.10527185 .25182166603E-01 39.339582961 .10786112456 7.6740679989 -.27408821574 2 s 3.8745627630 1.3213875014 1.8385832573 .68636955368 1 s .54448582516 1.0000000000 1 s .24338267375 1.0000000000 1 s .11637838765 1.0000000000 6 p 666.50423284 .23632663836E-02 157.64241690 .18879300374E-01 50.262520978 .87206341273E-01 18.536078105 .25285612970 7.2940532777 .43507154820 2.9433248995 .35026513165 1 p 1.0404970818 1.0000000000 1 p .38456415080 1.0000000000 1 p .13069642732 1.0000000000 * $end