Home   Manual

Change In Chemical Bonding After Importing of MOPAC 2016 Output File


I was recently viewing an imported (from MOPAC 2016) vibrational spectra of nitrous oxide (N2O), to only come to realize that the number of bonds between the three atoms had surprisingly changed without anything specified in the output file from which the chemical structure was imported.

To explain, I used MOPAC to generate output files with vibrational information on the nitrous oxide molecule that I had created, consisting of 3 bonds between the two nitrogens and 1 bond between the oxygen and the corresponding (center atom) nitrogen. Opening the output file to view vibrations allowed me to notice that the bonds between the atoms had now change to 1 each between all molecules, for a total of 2 bonds in the molecule…

I would greatly appreciate any help in my understanding a possible/definite reason behind this change in the chemical structure of nitrous oxide, even if the assumed molecule is to have 3 + 1 bonds between the nitrogen and nitrogen and the oxygen and nitrogen, respectively.


P.S. Another topic-related post was also made by myself last month: Viewing Vibrational Spectra of van der Waals Clusters