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

Type

g09
Gaussian 09 (ECenter. NECenter, CnvOrbSel) In Gaussian one should use the "6D 10F Gfinput PUNCH=MO" options with "cat fort.7" run after Gaussian.
g03
Gaussian 03 (ECenter. NECenter, CnvOrbSel) In Gaussian one should use the "6D 10F Gfinput PUNCH=MO" options with "cat fort.7" run after Gaussian.
g98
Gaussian 98 (ECenter, NECenter, CnvOrbSel) In Gaussian one should use the "6D 10F Gfinput PUNCH=MO" options with "cat fort.7" run after Gaussian.
molden
MOLPRO molden data file (ECenter, NECenter, CnvOrbSel)
molden2006
MOLPRO (starting with 2006 version) molden data file (ECenter, NECenter, CnvOrbSel)
molden2012
MOLPRO (starting with 2012 version) molden data file (ECenter, NECenter, 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