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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
*
c TZV
# c (11s6p) / [5s3p] {62111/411}
# SCF energy is -37.6874747896 a.u. (virial theorem = 2.000000001)
# A. Schaefer, Aug. 93
*
6 s
13575.349682 .22245814352E-03
2035.2333680 .17232738252E-02
463.22562359 .89255715314E-02
131.20019598 .35727984502E-01
42.853015891 .11076259931
15.584185766 .24295627626
2 s
6.2067138508 .41440263448
2.5764896527 .23744968655
1 s
.57696339419 1.0000000000
1 s
.22972831358 1.0000000000
1 s
.95164440028E-01 1.0000000000
4 p
34.697232244 .53333657805E-02
7.9582622826 .35864109092E-01
2.3780826883 .14215873329
.81433208183 .34270471845
1 p
.28887547253 .46445822433
1 p
.10056823671 .24955789874
*
$end
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