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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
*
ar TZV
# ar (14s9p) / [5s4p] {73211/6111}
# SCF energy is -526.8026635908 a.u. (virial theorem = 1.999999993)
# A. Schaefer, Aug. 93
*
7 s
79111.422998 .51029325002E-03
11864.746009 .39463036981E-02
2700.1642973 .20307073910E-01
763.95943485 .79691825214E-01
248.45150561 .23420623836
88.283581000 .44833849481
32.948607069 .36408167400
3 s
142.55358000 .26387407001E-01
44.163688009 .11226433999
8.9524995000 -.26178922001
2 s
4.5546920941 1.3002484998
2.1444079001 .67197237009
1 s
.60708777004 1.0000000000
1 s
.21651431999 1.0000000000
6 p
776.77541998 .22028005003E-02
183.80107018 .17694180008E-01
58.694003175 .82431293717E-01
21.701591695 .24207278863
8.5821489635 .42263558251
3.4922679161 .34151806086
1 p
1.2637426998 1.0000000000
1 p
.46607870005 1.0000000000
1 p
.15766003000 1.0000000000
*
ar TZVE
# ar (15s9p) / [6s4p] {732111/6111}
# SCF energy is -526.8028901060 a.u. (virial theorem = 2.000041627)
# A. Schaefer, Aug. 93
*
7 s
79111.422998 .51029325002E-03
11864.746009 .39463036981E-02
2700.1642973 .20307073910E-01
763.95943485 .79691825214E-01
248.45150561 .23420623836
88.283581000 .44833849481
32.948607069 .36408167400
3 s
142.55358000 .26387407001E-01
44.163688009 .11226433999
8.9524995000 -.26178922001
2 s
4.5546920941 1.3002484998
2.1444079001 .67197237009
1 s
.65888710823 1.0000000000
1 s
.29247275624 1.0000000000
1 s
.13809054729 1.0000000000
6 p
776.77541998 .22028005003E-02
183.80107018 .17694180008E-01
58.694003175 .82431293717E-01
21.701591695 .24207278863
8.5821489635 .42263558251
3.4922679161 .34151806086
1 p
1.2637426998 1.0000000000
1 p
.46607870005 1.0000000000
1 p
.15766003000 1.0000000000
*
$end
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