TAS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
AS | O1 | sing | 1.84Å | 1.83Å | |
AS | O2 | sing | 1.84Å | 1.83Å | |
AS | O3 | sing | 1.84Å | 1.83Å | |
O1 | H11 | sing | 0.97Å | 0.95Å | |
O2 | H21 | sing | 0.97Å | 0.95Å | |
O3 | H31 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | AS | O2 | 111.8° | 109.5° |
O1 | AS | O3 | 112.7° | 109.5° |
AS | O1 | H11 | 111.8° | 106.8° |
O2 | AS | O3 | 112.8° | 109.5° |
AS | O2 | H21 | 111.8° | 106.8° |
AS | O3 | H31 | 112.7° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | AS | O2 | O3 | 128.3° | 120.0° |
O1 | AS | O2 | H21 | 180.0° | 180.0° |
O1 | AS | O3 | H31 | 180.0° | 180.0° |
O2 | AS | O1 | H11 | 180.0° | 179.9° |
O2 | AS | O3 | H31 | 52.2° | 60.0° |
O3 | AS | O1 | H11 | 51.6° | 60.1° |
O3 | AS | O2 | H21 | 51.7° | 60.0° |