#908 Second to last step taken from geometry optimization output

2.3.x
open
nobody
None
1
2014-01-07
2014-01-07
No

It's looking as if Open Babel is taking the second to last step from Gaussian geometry optimization output.

For instance, a CCSD(T)/QZVP optimization on the Li_2^+ ion gives a final bond length of 3.133200 Å when you look at the log file, but extracting the geometry from the log file with OpenBabel 2.3.2 I get 3.13236 Å.

Log file attached.

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