TZV
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README,
al,
ar,
as,
b,
be,
br,
c,
ca,
cl,
co,
cr,
cu,
f,
fe,
ga,
ge,
k,
kr,
li,
mg,
mn,
n,
na,
ne,
ni,
o,
p,
s,
sc,
se,
si,
ti,
v,
zn
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$basis
*
k TZV
# k (17s10p) / [6s3p] {842111/631}
# SCF energy is -599.1530135224 a.u. (virial theorem = 2.000000029)
# R. Ahlrichs, Sept. 93
*
8 s
153976.18325 .23662636107E-03
23082.497672 .18342929137E-02
5253.2344745 .95310527769E-02
1486.9550133 .38638406980E-01
484.06333726 .12480768502
173.56653980 .29278861009
67.116381464 .40633425860
26.339502054 .20077215860
4 s
172.87693567 -.24200960936E-01
53.058649063 -.11553095040
7.9212753964 .57455545175
3.2108880472 .57023185107
2 s
4.5662070895 -.22615763466
.70209907282 .75528392045
1 s
.28258942635 1.0000000000
1 s
.35805824617E-01 1.0000000000
1 s
.15819213245E-01 1.0000000000
6 p
728.18449873 .26150689792E-02
172.13265061 .20673630835E-01
54.829847075 .93205603870E-01
20.166266494 .25436518210
7.8610728806 .39131132810
3.1105213132 .22481345943
3 p
11.757337492 -.25777289217E-01
1.5139617411 .57359428604
.58328591795 1.0798320002
1 p
.21570478076 1.0000000000
*
$end
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