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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Electrostatics > Dipole > Dipole | |
| x | y | z | Total | |
|---|---|---|---|---|
| -1.294 | -0.785 | 0.000 | 1.513 | |
| a | b | c | Total | |
|---|---|---|---|---|
| -1.378 | -0.625 | 0.000 | 1.513 |
| Atom number | Atom type | x | y | z |
|---|---|---|---|---|
| 1 | O | -1.112428 | 0.309929 | 0.000000 |
| 2 | C | 0.000000 | 1.099859 | 0.000000 |
| 3 | N | 1.134370 | 0.464202 | 0.000000 |
| 4 | C | 0.760093 | -0.877067 | 0.000000 |
| 5 | C | -0.600522 | -0.965429 | 0.000000 |
| 6 | H | -0.172692 | 2.172907 | 0.000000 |
| 7 | H | 1.500130 | -1.673812 | 0.000000 |
| 8 | H | -1.326026 | -1.772124 | 0.000000 |
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The molecular picture below may not be oriented.
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