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Example 10.41 HF/def2-SVPD static polarizability calculation for water cation, computed analytically using the MOProp module
$molecule 1 2 O 0.003 1.517 0.000 H 0.913 1.819 0.000 H 0.081 0.555 0.000 $end $rem METHOD hf BASIS def2-svpd SCF_CONVERGENCE 11 THRESH 14 integral_symmetry false point_group_symmetry False MOPROP 2 MOPROP_CONV_1ST 8 MOPROP_MAXITER_1ST 200 $end