$basis * ca TZV # ca (17s10p) / [6s3p] {842111/631} # SCF energy is -676.7454954063 a.u. (virial theorem = 2.000000006) # R. Ahlrichs, Sept. 93 * 8 s 172517.32685 .23317502546E-03 25861.519275 .18076521980E-02 5885.6618668 .93943844255E-02 1665.9730031 .38108409009E-01 542.36718148 .12331203853 194.57803492 .29004470954 75.303597636 .40587151157 29.574062589 .20398410743 4 s 191.20074660 -.24419759759E-01 58.840299883 -.11547027448 8.9642540845 .56356636717 3.6856960541 .56709682704 2 s 5.2464289726 -.22825334325 .84862621528 .72625219172 1 s .36743300538 1.0000000000 1 s .66821582613E-01 1.0000000000 1 s .26759730445E-01 1.0000000000 6 p 836.97262058 .25258346092E-02 197.93040142 .20076506686E-01 63.135558054 .91302987366E-01 23.282687170 .25247029915 9.1176444932 .39426326344 3.6336120139 .23011559492 3 p 13.494163120 -.26495021951E-01 1.8139259790 .55088108210 .71981826006 1.0280616620 1 p .27629576992 1.0000000000 * $end