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