| Energy
(a.u.) |
Bond
|
|
| 2.3685 |
![]() |
anti-bonding |
| 1.8996 |
![]() |
anti-bonding |
| 1.8996 |
![]() |
anti-bonding |
| 1.5623 |
![]() |
anti-bonding |
| 1.116 |
![]() |
anti-bonding |
| 1.062 |
![]() |
anti-bonding |
| 1.0162 |
![]() |
anti-bonding |
| 1.0162 |
![]() |
anti-bonding |
| 0.3018 |
![]() |
anti-bonding |
| 0.0575 |
![]() |
anti-bonding |
| -0.6436 |
![]() |
anti-bonding |
| -0.6436 |
![]() |
anti-bonding |
| -0.764 |
![]() |
anti-bonding |
| -1.5975 |
![]() |
bonding |
| -26.2874 |
![]() |
non-bonding |