Bond length shown on best optimized geometry being 6-311G.
This is
the "best" because it is the highest level of theory and has the lowest
potential energy.
The bond length is 1.09 Angstroms and the angle is 180 degrees. When comparing our calculated value of 1.09 Angstroms to the experimental value of 1.09 Angstroms it helps to prove that 6-311G level of theory calculations is accurate. |
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A display of the HOMO of N2 is shown below on the best optimized
geometry.
The HOMO occurs at (7A) which is a value of -0.627. |
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