TZV
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README,
al,
ar,
as,
b,
be,
br,
c,
ca,
cl,
co,
cr,
cu,
f,
fe,
ga,
ge,
k,
kr,
li,
mg,
mn,
n,
na,
ne,
ni,
o,
p,
s,
sc,
se,
si,
ti,
v,
zn
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$basis
*
sc TZV
# sc (17s10p6d) / [6s3p3d] {842111/631/411}
# SCF energy is -759.7212876457 a.u. (virial theorem = 1.999999996)
# R. Ahlrichs, Sept. 93
*
8 s
191612.91874 .23076475942E-03
28723.850363 .17890329946E-02
6537.0116490 .92990401140E-02
1850.3097171 .37739438011E-01
602.38855156 .12227148359
216.17324766 .28814821470
83.712517880 .40517543099
32.908707189 .20566019623
4 s
211.34393234 -.24527991462E-01
65.128920139 -.11570158142
10.034311535 .55995283317
4.1596884597 .56087765073
2 s
6.0009041613 -.22840494325
.98255784150 .71948970378
1 s
.42483192773 1.0000000000
1 s
.77185462096E-01 1.0000000000
1 s
.30147219702E-01 1.0000000000
6 p
947.34122823 .24737208744E-02
224.09699732 .19742967060E-01
71.560334882 .90357147549E-01
26.444824490 .25201602503
10.393798285 .39675535929
4.1606304559 .23208624517
3 p
15.565737135 -.27129423974E-01
2.1121544865 .55109256629
.84184709021 1.0090635806
1 p
.32297542652 1.0000000000
4 d
30.989390993 .11902837431E-01
8.6905465069 .67655856850E-01
2.9520256337 .21332539722
1.0761910745 .38391075578
1 d
.38338915095 .43354716259
1 d
.12534686113 .24509263822
*
$end
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