Determine point group
| Number of atoms | 3 |
| Sum formula | H2 O |
| Molecular weight | 18.01 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 761.8386 |
| Rotational Constant B (GHz) | 398.3636 |
| Rotational Constant C (GHz) | 261.5826 |
| Ray's asymmetry parameter | -0.4532 |
| Classification : Asymmetric top | |
| Symmetry adapted cartesian coordinates | |||||
|---|---|---|---|---|---|
| Atom Number | Atomic Symbol | Atomic Number | x-Coordinate (Angstrom) | y-Coordinate (Angstrom) | z-Coordinate (Angstrom) |
| 1 | H | 1 | -0.793353 | 0.000000 | 0.540633 |
| 2 | O | 8 | 0.000000 | 0.000000 | -0.068128 |
| 3 | H | 1 | 0.793353 | 0.000000 | 0.540633 |
| Determined point group | C2v |
|---|---|
| Subgroups
(Number of different orientations) |
Cs (2) , C2 |
 3N representation |
|||||
|---|---|---|---|---|---|
| group | E | C2 (z) |  v(xz) |
v(yz) |
- |
| C2v | 9 | -1 | 3 | 1 | Submit |
| Cs | 9 | - | 3 | - | Submit |
| Cs | 9 | - | - | 1 | Submit |
| C2 | 9 | -1 | - | - | Submit |
