$basis * na TZV # na (14s6p) / [5s2p] {73211/51} # SCF energy is -161.8514841731 a.u. (virial theorem = 1.999999986) # R. Ahlrichs, Sept. 93 * 7 s 26041.109927 .61806342811E-03 3906.1268548 .47748604414E-02 888.97454993 .24471684829E-01 251.45497961 .94755394977E-01 81.650143512 .26867496920 28.904158401 .47925475440 10.625782932 .33248591469 3 s 53.769410179 .19527731872E-01 16.308243025 .92648010794E-01 2.3730384125 -.39938670172 2 s .95730772603 1.6428595391 .40806460959 .55692596966 1 s .49967582329E-01 1.0000000000 1 s .19268616250E-01 1.0000000000 5 p 138.07979989 .57951891929E-02 32.232700393 .41620846251E-01 9.9816075360 .16281916885 3.4822033928 .36011784647 1.2299134620 .44858979889 1 p .41743959423 .23040759559 * $end