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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 | |
|---|---|---|---|---|
| -1.299 | -0.788 | 0.000 | 1.519 | |
| a | b | c | Total | |
|---|---|---|---|---|
| -1.387 | -0.621 | 0.000 | 1.519 |
| Atom number | Atom type | x | y | z |
|---|---|---|---|---|
| 1 | O | -1.114256 | 0.310584 | 0.000000 |
| 2 | C | 0.000000 | 1.101857 | 0.000000 |
| 3 | N | 1.137900 | 0.464321 | 0.000000 |
| 4 | C | 0.761101 | -0.877976 | 0.000000 |
| 5 | C | -0.603124 | -0.966844 | 0.000000 |
| 6 | H | -0.171527 | 2.176355 | 0.000000 |
| 7 | H | 1.499623 | -1.677364 | 0.000000 |
| 8 | H | -1.327210 | -1.776138 | 0.000000 |
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The molecular picture below may not be oriented.
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