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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 | #! RHF-CC2-LR/cc-pVDZ static polarizabilities of HOF molecule.
memory 250 mb
molecule hof {
0 1
O
H 1 0.97
F 1 0.97 2 103.0
}
set {
basis "cc-pVDZ"
}
property('cc2',properties=['polarizability'])
|