Command Convert

Command format

Convert Source Type

Where Source is the output file from the Quantum Chemistry program and Type is one of the following Quantum Chemistry programs


Gaussian 03 (ECenter, CnvOrbSel) In Gaussian one should use the "6D 10F Gfinput PUNCH=MO" options with "cat fort.7" run after Gaussian.
MOLPRO molden data file (ECenter, CnvOrbSel)

In the above list of Type, the data record names given in the parenthases are the ones used with a particular conversion program.

Optional data records used

Examples of use