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#1 Re: Multiwfn and wavefunction analysis » Charge decomposition analysis » 2018-04-19 07:23:51

Hi
Thank you for the quick response and I m really sorry for I made mistake while giving name of the fragment, instead of giving path (examples\CDA\COBH3\CO.fch) I just gave name of the fragment (CO.fch) which ended up in self-termination of the console. Now I could plot for all examples and even for my complexes to be investigated. Thank you for establishing valuable and user-friendly software.

#2 Multiwfn and wavefunction analysis » Charge decomposition analysis » 2018-04-18 06:30:09

anithaa
Replies: 8

Hi
I am trying to obtain charge decomposition for my complex in wb97XD/6-31g* but after loading name of fragment one file console terminates itself with error (which couldn't be seen) even trying with given examples (COBH3, CH3NH2) I get the same problem.

Thank you in advance

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