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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
*
mg TZV
# mg (14s6p) / [5s2p] {73211/51}
# SCF energy is -199.6063103433 a.u. (virial theorem = 1.999999977)
# R. Ahlrichs, Sept. 93
*
7 s
31438.349555 .60912311326E-03
4715.5153354 .47066196465E-02
1073.1629247 .24135820657E-01
303.57238768 .93628959834E-01
98.626251042 .26646742093
34.943808417 .47890929917
12.859785199 .33698490286
3 s
64.876913004 .19180889307E-01
19.725520777 .90913704392E-01
2.8951804339 -.39563756125
2 s
1.1960454710 1.6827603373
.54329451156 .52141091954
1 s
.10099104092 1.0000000000
1 s
.36865728085E-01 1.0000000000
5 p
179.87189612 .53799549018E-02
42.120069376 .39318014098E-01
13.120503032 .15740129476
4.6257503609 .35919094128
1.6695211016 .45533379310
1 p
.58551012105 .21986432910
*
$end
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