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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
*
se TZV
# se (17s13p6d) / [6s5p2d] {842111/64111/51}
# SCF energy is -2399.8183560388 a.u. (virial theorem = 1.999999979)
# R. Ahlrichs, Sept. 93
*
8 s
531071.66696 .24108973168E-03
79603.044117 .18696431441E-02
18115.844240 .97271616536E-02
5127.8923194 .39604793031E-01
1669.9130839 .12948855136
600.57534527 .30959437289
233.70021247 .45115769216
92.672443932 .24579189033
4 s
571.57513675 -.26895707881E-01
177.63686375 -.12670989353
29.517767052 .57699001719
12.824399795 .56369075408
2 s
19.848235841 -.25132415534
3.4744018486 .72905416980
1 s
1.5988910849 1.0000000000
1 s
.38333469387 1.0000000000
1 s
.14049742459 1.0000000000
6 p
2815.3500566 .25569026854E-02
666.92558298 .20874026901E-01
214.34213188 .98772096250E-01
80.246687942 .28471821221
32.251081288 .45003584934
13.106432562 .24416091055
4 p
53.366108516 -.21558456273E-01
8.1827777195 .32662310638
3.6239945672 .57740499319
1.6341591401 .34301320826
1 p
.58418320228 1.0000000000
1 p
.23966269279 1.0000000000
1 p
.88785134803E-01 1.0000000000
5 d
151.82910279 .93970276988E-02
44.839992523 .64086503991E-01
16.328999510 .21834238004
6.4305057612 .40314789649
2.5048025169 .41966491490
1 d
.90271148434 .18366663432
*
$end
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