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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
*
be TZV
# be (11s) / [5s] {62111}
# SCF energy is -14.5725798674 a.u. (virial theorem = 1.999999986)
# R. Ahlrichs, Sept. 93
*
6 s
4700.2365626 .23584389316E-03
704.82845622 .18243791019E-02
160.43110478 .93966148224E-02
45.425347336 .36908924159E-01
14.798334125 .10897561281
5.3512452537 .21694284551
2 s
2.1542044819 .44695408857
.93363744400 .20866985771
1 s
.18791432989 1.0000000000
1 s
.74648267947E-01 1.0000000000
1 s
.32650484598E-01 1.0000000000
*
$end
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