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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
*
ne TZV
# ne (11s6p) / [5s3p] {62111/411}
# SCF energy is -128.5414927586 a.u. (virial theorem = 2.000000000)
# A. Schaefer, Aug. 93
*
6 s
45069.464022 .21687155182E-03
6755.9768656 .16812736757E-02
1537.6502864 .87356062782E-02
435.51697667 .35361266922E-01
142.28655638 .11321521454
51.692153804 .26654653104
2 s
20.315870490 .39631959951
8.2021942646 .25582811251
1 s
1.9681276278 1.0000000000
1 s
.77904756001 1.0000000000
1 s
.30229502043 1.0000000000
4 p
99.782996032 .65569234163E-02
23.176124101 .45888009138E-01
7.1163945872 .17331287812
2.4418711435 .36475267512
1 p
.83389605766 .43831075171
1 p
.26607311301 .24160029835
*
$end
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