$basis * s TZV # s (14s9p) / [5s4p] {73211/6111} # SCF energy is -397.4940864204 a.u. (virial theorem = 1.999999999) # A. Schaefer, Aug. 93 * 7 s 60700.928104 .54695944225E-03 9102.6106854 .42297224557E-02 2071.4166009 .21747824159E-01 586.02476821 .85100053589E-01 190.55395021 .24799128459 67.630384260 .46703640406 25.127306905 .36434587550 3 s 112.57463010 .21670040240E-01 34.795554217 .93602301760E-01 6.5115556215 -.26068001422 2 s 3.2399032261 1.2842089435 1.5477160881 .66036416584 1 s .40541030112 1.0000000000 1 s .14550651059 1.0000000000 6 p 564.36716027 .24796796317E-02 133.42624379 .19677930250E-01 42.468271189 .89980008258E-01 15.616527580 .25705880575 6.1093988469 .43515167292 2.4404160198 .34883240595 1 p .83882201296 1.0000000000 1 p .31288746900 1.0000000000 1 p .10770109004 1.0000000000 * s TZVE # s (15s9p) / [6s4p] {732111/6111} # SCF energy is -397.4942215504 a.u. (virial theorem = 2.000022654) # A. Schaefer, Aug. 93 * 7 s 60700.928104 .54695944225E-03 9102.6106854 .42297224557E-02 2071.4166009 .21747824159E-01 586.02476821 .85100053589E-01 190.55395021 .24799128459 67.630384260 .46703640406 25.127306905 .36434587550 3 s 112.57463010 .21670040240E-01 34.795554217 .93602301760E-01 6.5115556215 -.26068001422 2 s 3.2399032261 1.2842089435 1.5477160881 .66036416584 1 s .43815094430 1.0000000000 1 s .19738673784 1.0000000000 1 s .96358704319E-01 1.0000000000 6 p 564.36716027 .24796796317E-02 133.42624379 .19677930250E-01 42.468271189 .89980008258E-01 15.616527580 .25705880575 6.1093988469 .43515167292 2.4404160198 .34883240595 1 p .83882201296 1.0000000000 1 p .31288746900 1.0000000000 1 p .10770109004 1.0000000000 * $end