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 |