Recommendation

Here is an easy way to get internal coordinates, which should work.

Have coord ready before calling define. In the main geometry menu proceed as follows to define redundant internals:

a coord

read coord

desy

determine symmetry, if you expect a higher symmetry, repeat with increased tolerance desy 0.1 , you may go up to desy 1..

ired

get redundant internals

*

quit main geometry menu

To define internals:

a coord

read coord

desy

determine symmetry

i

go to internal coordinate menu

iaut

automatic assignment of bends etc.

q

to quit bond analysis

imet

to get the metric, unnecessary internals are marked d now. If #ideg = #k in the head line you are done. Otherwise this did not work.

<enter>

go back to main geometry menu

*

quit main geometry menu

To define cartesians:

a coord

read coord

desy

determine symmetry

*

quit main geometry menu