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
*
n TZV
# n (11s6p) / [5s3p] {62111/411}
# SCF energy is -54.3991753741 a.u. (virial theorem = 2.000000003)
# A. Schaefer, Aug. 93
*
6 s
19730.800647 .21887984991E-03
2957.8958745 .16960708803E-02
673.22133595 .87954603538E-02
190.68249494 .35359382605E-01
62.295441898 .11095789217
22.654161182 .24982972552
2 s
8.9791477428 .40623896148
3.6863002370 .24338217176
1 s
.84660076805 1.0000000000
1 s
.33647133771 1.0000000000
1 s
.13647653675 1.0000000000
4 p
49.200380510 .55552416751E-02
11.346790537 .38052379723E-01
3.4273972411 .14953671029
1.1785525134 .34949305230
1 p
.41642204972 .45843153697
1 p
.14260826011 .24428771672
*
$end
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