$basis * mg TZV # mg (14s6p) / [5s2p] {73211/51} # SCF energy is -199.6063103433 a.u. (virial theorem = 1.999999977) # R. Ahlrichs, Sept. 93 * 7 s 31438.349555 .60912311326E-03 4715.5153354 .47066196465E-02 1073.1629247 .24135820657E-01 303.57238768 .93628959834E-01 98.626251042 .26646742093 34.943808417 .47890929917 12.859785199 .33698490286 3 s 64.876913004 .19180889307E-01 19.725520777 .90913704392E-01 2.8951804339 -.39563756125 2 s 1.1960454710 1.6827603373 .54329451156 .52141091954 1 s .10099104092 1.0000000000 1 s .36865728085E-01 1.0000000000 5 p 179.87189612 .53799549018E-02 42.120069376 .39318014098E-01 13.120503032 .15740129476 4.6257503609 .35919094128 1.6695211016 .45533379310 1 p .58551012105 .21986432910 * $end