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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
*
mn TZV
# mn (17s10p6d) / [6s3p3d] {842111/631/411}
# SCF energy is -1149.8425787274 a.u. (virial theorem = 2.000000010)
# A. Schaefer, Sept. 93
*
8 s
277185.00153 .22838385133E-03
41550.769890 .17707650375E-02
9455.9700152 .92077209994E-02
2676.5206482 .37415971825E-01
871.46687530 .12164861426
312.98306420 .28824392499
121.44454051 .41041600847
47.922598829 .21372375145
4 s
303.66723163 -.24589926140E-01
93.881403187 -.11602608038
14.879421214 .55112059677
6.2865200745 .53707560756
2 s
9.4858591337 -.22889262695
1.5698706158 .71196169587
1 s
.65903213608 1.0000000000
1 s
.10686292371 1.0000000000
1 s
.39267435433E-01 1.0000000000
6 p
1444.7978182 .23994136455E-02
342.06551197 .19369286864E-01
109.58400891 .90236108988E-01
40.747988173 .25745467851
16.188626566 .41272351958
6.5484505964 .24087700007
3 p
25.357086437 -.28707174058E-01
3.4830168782 .55208100712
1.3858800906 .97226901379
1 p
.52555094893 1.0000000000
4 d
56.563189119 .11543245294532D-01
16.278734711 .70299845987196D-01
5.6964273914 .22450770821295
2.1411147942 .39703065434226
1 d
.78291801938 .41941039165375
1 d
.25952311214 .21887261672743
*
$end
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