03 May 2012

132. Ecce v 6.2 -- minor bug: nosymm in g09 input

Ecce 6.2 doesn't officially support Gaussian 09 as far as I know. However, they are compatible enough for a wide range of tasks.

However, if you use nosymm you will not be able to see orbital occupancy:

#P rb3lyp/6-31++g** 5D 7F Opt=()  Freq=()  Punch=(MO) Pop=() scrf=(pcm,         solvent=dichloromethane)


 #P rB3LYP/6-31++g** 5D 7F Opt=()  Freq=()  Punch=(MO) Pop=() scrf=(pcm,         solvent=Dichloromethane) nosymm

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