Den 2018-03-07 kl. 04:15, skrev spamidig:
Geoffrey, David:

Here is what I have for the openbabel on the g09 output file. Please let me
know if you can not get the file as uploaded.

Thanks,
Sudhakar.

../openbabel-2.3.2/build/bin/obabel -i g09 gaussian.log -o copy -O obab.copy
--errorlevel=2
0 molecules converted
root@2d3f3e9bd2f0:/datacat/working-dir# ../openbabel-2.3.1/build/bin/obabel
-i g09 gaussian.log -o copy -O obab.copy  --errorlevel=2
0 molecules converted
gaussian.log <http://forums.openbabel.org/file/t375565/gaussian.log>


I can reproduce the issue als with version 2.4.1 of OB.
Apparently no atoms can be read as it leaves the routine for readin gaussian files at this point:
            // done with reading atoms
            natoms = mol.NumAtoms();
            if(natoms==0)
              return false;





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