| |
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 | |
|---|---|---|---|---|
| -1.321 | -0.803 | 0.000 | 1.546 | |
| a | b | c | Total | |
|---|---|---|---|---|
| 1.386 | 0.684 | 0.000 | 1.546 |
| Atom number | Atom type | x | y | z |
|---|---|---|---|---|
| 1 | O | -1.099426 | 0.308094 | 0.000000 |
| 2 | C | 0.000000 | 1.094233 | 0.000000 |
| 3 | N | 1.122786 | 0.461986 | 0.000000 |
| 4 | C | 0.751993 | -0.872713 | 0.000000 |
| 5 | C | -0.596287 | -0.960000 | 0.000000 |
| 6 | H | -0.169131 | 2.159416 | 0.000000 |
| 7 | H | 1.484247 | -1.664629 | 0.000000 |
| 8 | H | -1.313444 | -1.762566 | 0.000000 |
| click to DISPLAY dipole | click to HIDE dipole |
| click to scale dipole by 10 | click to scale dipole by 1 |
|
The molecular picture below may not be oriented.
|