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
*
b TZV
# b (11s6p) / [5s3p] {62111/411}
# SCF energy is -24.5283415585 a.u. (virial theorem = 2.000000001)
# A. Schaefer, Aug. 93
*
6 s
8564.8660687 .22837198155E-03
1284.1516263 .17682576447E-02
292.27871604 .91407080516E-02
82.775469176 .36342638989E-01
27.017939269 .11063458441
9.8149619660 .23367344321
2 s
3.9318559059 .41818777978
1.6595599712 .22325473798
1 s
.35762965239 1.0000000000
1 s
.14246277496 1.0000000000
1 s
.60560594768E-01 1.0000000000
4 p
22.453875803 .50265575179E-02
5.1045058330 .32801738965E-01
1.4986081344 .13151230768
.50927831315 .33197167769
1 p
.18147077798 .47314319570
1 p
.64621893904E-01 .25802783943
*
$end
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