The text file is also avilable here
$basis
*
li TZV
# li (11s) / [5s] {62111}
# SCF energy is -7.4326517923 a.u. (virial theorem = 1.999999958)
# R. Ahlrichs, Sept. 93
*
6 s
6269.2628010 .20540968826E-03
940.31612431 .15916554089E-02
214.22107528 .82869829707E-02
60.759840184 .33856374249E-01
19.915152032 .11103225876
7.3171509797 .27449383329
2 s
2.9724674216 .23792456411
1.2639852314 .30765411924
1 s
.51427489953 1.0000000000
1 s
.77030885901E-01 1.0000000000
1 s
.28938896433E-01 1.0000000000
*
$end
back to up
page