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TZV
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README,
README.html,
al,
al.html,
ar,
ar.html,
as,
as.html,
b,
b.html,
be,
be.html,
br,
br.html,
c,
c.html,
ca,
ca.html,
cl,
cl.html,
co,
co.html,
cr,
cr.html,
cu,
cu.html,
f,
f.html,
fe,
fe.html,
ga,
ga.html,
ge,
ge.html,
k,
k.html,
kr,
kr.html,
li,
li.html,
mg,
mg.html,
mn,
mn.html,
n,
n.html,
na,
na.html,
ne,
ne.html,
ni,
ni.html,
o,
o.html,
p,
p.html,
s,
s.html,
sc,
sc.html,
se,
se.html,
si,
si.html,
ti,
ti.html,
v,
v.html,
zn,
zn.html
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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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