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
*
v TZV
# v (17s10p6d) / [6s3p3d] {842111/631/411}
# SCF energy is -942.8658162122 a.u. (virial theorem = 2.000000031)
# calculation performed in Oh-symmetry with 3d-occupation t2g**3
# R. Ahlrichs, Sept. 93
*
8 s
232340.65058 .23072410092E-03
34828.841170 .17888178962E-02
7926.5448691 .92992490131E-02
2243.7733046 .37761463347E-01
730.59322944 .12255909662
262.32219631 .28963508811
101.70403805 .41004702955
40.064784617 .21113610858
4 s
255.24014968 -.24458116338E-01
78.804646961 -.11527205366
12.340598946 .55174749453
5.1742019219 .54504528489
2 s
7.6513894469 -.22967638286
1.2639759898 .71683769077
1 s
.53861761721 1.0000000000
1 s
.92719296124E-01 1.0000000000
1 s
.34998055176E-01 1.0000000000
6 p
1184.2369151 .24449826729E-02
280.23075192 .19643454466E-01
89.643627137 .90796949190E-01
33.242411253 .25650768222
13.144514452 .40815393750
5.2948534140 .23860378268
3 p
20.175586851 -.28241489023E-01
2.7605865197 .55574635619
1.1008900902 .99319919270
1 p
.42013310739 1.0000000000
4 d
43.861134864 .11487174238E-01
12.516021891 .68247153977E-01
4.3313854957 .21837784195
1.6138855773 .39245212296
1 d
.58749573961 .42634466786
1 d
.19515723011 .22646562601
*
$end
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