HYN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.30Å | |
| C | C1 | sing | 1.52Å | 1.49Å | |
| C | N1 | sing | 1.35Å | 1.32Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| N | C2 | sing | 1.34Å | 1.36Å | |
| N1 | C2 | sing | 1.34Å | 1.36Å | |
| C2 | O1 | doub | 1.22Å | 1.29Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 119.9° | 127.2° |
| O | C | N1 | 120.0° | 127.2° |
| C1 | C | N1 | 120.0° | 105.7° |
| C | C1 | N | 96.5° | 103.6° |
| C | C1 | H1 | 114.0° | 110.6° |
| C | C1 | H1A | 116.6° | 110.6° |
| C | N1 | C2 | 98.7° | 111.6° |
| C | N1 | HN1 | 130.7° | 124.2° |
| C1 | N | C2 | 106.7° | 106.6° |
| N | C1 | H1 | 114.0° | 110.6° |
| N | C1 | H1A | 116.6° | 110.6° |
| C1 | N | HN | 126.6° | 126.7° |
| N | C2 | N1 | 118.1° | 112.4° |
| N | C2 | O1 | 119.8° | 123.8° |
| C2 | N | HN | 126.7° | 126.7° |
| N1 | C2 | O1 | 122.0° | 123.8° |
| C2 | N1 | HN1 | 130.7° | 124.2° |
| H1 | C1 | H1A | 100.0° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | N1 | 177.5° | 179.7° |
| O | C | C1 | N | 177.6° | 180.0° |
| O | C | N1 | C2 | 178.4° | 179.9° |
| O | C | C1 | H1 | 57.6° | 61.5° |
| O | C | C1 | H1A | 58.3° | 61.4° |
| O | C | N1 | HN1 | 1.6° | 0.0° |
| C | C1 | N | H1 | 120.0° | 118.5° |
| C | C1 | N | H1A | 124.2° | 118.6° |
| C | C1 | N | C2 | 0.8° | 0.0° |
| C1 | C | N1 | C2 | 0.9° | 0.4° |
| C | C1 | H1 | H1A | 125.2° | 122.9° |
| C | C1 | N | HN | 179.2° | 179.9° |
| C1 | C | N1 | HN1 | 179.1° | 179.7° |
| N1 | C | C1 | N | 0.0° | 0.2° |
| C | N1 | C2 | N | 1.5° | 0.4° |
| C | N1 | C2 | HN1 | 180.0° | 179.9° |
| C | N1 | C2 | O1 | 178.4° | 179.8° |
| N1 | C | C1 | H1 | 120.0° | 118.7° |
| N1 | C | C1 | H1A | 124.2° | 118.3° |
| C1 | N | C2 | HN | 180.0° | 179.9° |
| C1 | N | C2 | N1 | 1.6° | 0.2° |
| C1 | N | C2 | O1 | 178.6° | 180.0° |
| N | C1 | H1 | H1A | 125.2° | 122.9° |
| N | C2 | N1 | O1 | 176.9° | 179.8° |
| C2 | N | C1 | H1 | 120.8° | 118.5° |
| C2 | N | C1 | H1A | 123.3° | 118.6° |
| N | C2 | N1 | HN1 | 178.5° | 179.7° |
| N1 | C2 | N | HN | 178.4° | 179.8° |
| O1 | C2 | N | HN | 1.5° | 0.1° |
| O1 | C2 | N1 | HN1 | 1.6° | 0.1° |
| H1 | C1 | N | HN | 59.2° | 61.4° |
| H1A | C1 | N | HN | 56.6° | 61.5° |
