I need to run opt and freq with dioxane solvent but I did not do. because dioxane isn't in solvent list in G09W. However I try CPCM-other button and write 2.2099. but I did't work it. Can anyone help me ?
Serdar Badoğlu
1,4-dioxane is already defined in G09W. A command line like
# opt freq hf/6-311++g(d,p) scrf=(solvent=1,4-dioxane) geom=connectivity
would work perfectly.
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