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
*
f TZV
# f (11s6p) / [5s3p] {62111/411}
# SCF energy is -99.4053675904 a.u. (virial theorem = 1.999999999)
# A. Schaefer, Aug. 93
*
6 s
35479.100441 .21545014888E-03
5318.4728983 .16700686527E-02
1210.4810975 .86733211476E-02
342.85518140 .35049933175E-01
112.01943181 .11165320133
40.714740248 .25988506647
2 s
16.039678111 .39422966880
6.5038186740 .24998238551
1 s
1.5440477509 1.0000000000
1 s
.61223452862 1.0000000000
1 s
.24027979698 1.0000000000
4 p
80.233900483 .63685999134E-02
18.594010743 .44303143530E-01
5.6867902653 .16867248708
1.9511006294 .36166346255
1 p
.66970211298 .44202901491
1 p
.21651300410 .24319875730
*
$end
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