Rep:Mod:test
| E(NH3) | 2*E(NH3) | E(N2) | E(H2) | 3*E(H2) | ΔE=2*E(NH3)-[E(N2)+3*E(H2)]= | |
|---|---|---|---|---|---|---|
| Energy (au) | -56.55776873 | -113.11553746 | -109.52412868 | -1.17853936 | -3.53561808 | -0.05579070 |
| Energy (kJ mol -1) | -148492.4 | -296984.8 | -287555.6 | -3094.3 | -9282.8 | -146.5 |
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| Complex | Average bond length |
|---|---|
| column 1.1 | column 2.1 |
| column 1.2 | column 2.2 |
| column 1.3 | column 2.3 |