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TZV
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README,
README.html,
al,
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as,
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li,
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o,
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p,
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s,
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The text file is also avilable here
$basis
*
ga TZV
# ga (17s12p6d) / [6s5p2d] {842111/63111/51}
# only 2 p GTOs for 4p AO
# SCF energy is -1923.2179912187 a.u. (virial theorem = 1.999999998)
# R. Ahlrichs, Sept. 93
*
8 s
435548.66254 .23646329650E-03
65289.589031 .18335271776E-02
14858.784256 .95371863081E-02
4205.9734729 .38803412468E-01
1369.6416431 .12661604848
492.30348905 .30175310292
191.41923233 .43543934218
75.840558665 .23282363780
4 s
474.30810613 -.26743707958E-01
147.10297560 -.12654657542
23.982599435 .58840346839
10.298230094 .56324271589
2 s
16.050381430 -.24516439508
2.6988468784 .74578049593
1 s
1.1428588736 1.0000000000
1 s
.20217652251 1.0000000000
1 s
.71980152032E-01 1.0000000000
6 p
2432.0171070 .22434065928E-02
576.12049582 .18342265336E-01
185.11584354 .87279697167E-01
69.246572556 .25684868351
27.818107777 .42398378107
11.420229938 .25701340043
3 p
42.819661530 -.19326519119E-01
6.3885901000 .31571386917
2.6698993326 .57617792822
1 p
1.0781783834 1.0000000000
1 p
.22796559371 1.0000000000
1 p
.62836234833E-01 1.0000000000
5 d
103.92331829 .11464613652E-01
30.371094389 .73625747383E-01
10.872078097 .23505107382
4.1549137954 .40318563513
1.5345659145 .40824748152
1 d
.51114263830 .20502439263
*
$end
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