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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
*
zn TZV
# zn (17s10p6d) / [6s3p3d] {842111/631/411}
# SCF energy is -1777.8041670399 a.u. (virial theorem = 2.000000005)
# R. Ahlrichs, Sept. 93
*
8 s
405924.31028 .22442017483E-03
60846.955735 .17402086626E-02
13847.343092 .90513339565E-02
3919.6158551 .36817341445E-01
1276.3594167 .12004850256
458.67254435 .28576057621
178.28725246 .41087462062
70.612192837 .21816962456
4 s
443.88077950 -.24934274984E-01
137.55875267 -.11817955766
22.268083479 .55367318468
9.5217310606 .52628934936
2 s
14.874114065 -.22929955254
2.4647517612 .71135484742
1 s
1.0113272238 1.0000000000
1 s
.14919852089 1.0000000000
1 s
.51441872981E-01 1.0000000000
6 p
2205.3508534 .23356240448E-02
522.35300699 .19031022634E-01
167.73055542 .89955758675E-01
62.670045373 .26113248631
25.109749456 .42348448173
10.225142681 .24618926885
3 p
40.713442521 -.30029667592E-01
5.6247090696 .55575254864
2.2279949116 .95581013442
1 p
.83354741691 1.0000000000
4 d
88.554315311 .12728170015E-01
25.721525557 .79394499843E-01
9.1278367624 .24491506805
3.4312364064 .40390526479
1 d
1.2308920645 .40158491145
1 d
.39031845112 .21579805034
*
$end
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