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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
*
na TZV
# na (14s6p) / [5s2p] {73211/51}
# SCF energy is -161.8514841731 a.u. (virial theorem = 1.999999986)
# R. Ahlrichs, Sept. 93
*
7 s
26041.109927 .61806342811E-03
3906.1268548 .47748604414E-02
888.97454993 .24471684829E-01
251.45497961 .94755394977E-01
81.650143512 .26867496920
28.904158401 .47925475440
10.625782932 .33248591469
3 s
53.769410179 .19527731872E-01
16.308243025 .92648010794E-01
2.3730384125 -.39938670172
2 s
.95730772603 1.6428595391
.40806460959 .55692596966
1 s
.49967582329E-01 1.0000000000
1 s
.19268616250E-01 1.0000000000
5 p
138.07979989 .57951891929E-02
32.232700393 .41620846251E-01
9.9816075360 .16281916885
3.4822033928 .36011784647
1.2299134620 .44858979889
1 p
.41743959423 .23040759559
*
$end
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