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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
*
o TZV
# o (11s6p) / [5s3p] {62111/411}
# SCF energy is -74.8066858170 a.u. (virial theorem = 2.000000001)
# A. Schaefer, Aug. 93
*
6 s
27032.382631 .21726302465E-03
4052.3871392 .16838662199E-02
922.32722710 .87395616265E-02
261.24070989 .35239968808E-01
85.354641351 .11153519115
31.035035245 .25588953961
2 s
12.260860728 .39768730901
4.9987076005 .24627849430
1 s
1.1703108158 1.0000000000
1 s
.46474740994 1.0000000000
1 s
.18504536357 1.0000000000
4 p
63.274954801 .60685103418E-02
14.627049379 .41912575824E-01
4.4501223456 .16153841088
1.5275799647 .35706951311
1 p
.52935117943 .44794207502
1 p
.17478421270 .24446069663
*
$end
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