YIV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.35Å | 1.24Å | |
| O1 | C | doub | 1.21Å | 1.34Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| N | C1 | sing | 1.46Å | 1.45Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| H1 | C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| H2 | C2 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| H3 | C3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| H4 | C4 | sing | 1.09Å | 1.10Å | |
| H4A | C4 | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | O1 | 121.1° | 120.0° |
| N | C | H | 119.5° | 120.0° |
| C | N | C1 | 124.1° | 120.0° |
| C | N | HN | 118.0° | 119.9° |
| O1 | C | H | 119.5° | 120.0° |
| C1 | N | HN | 117.9° | 120.1° |
| N | C1 | C2 | 106.9° | 109.4° |
| N | C1 | H1 | 110.4° | 109.5° |
| N | C1 | H1A | 110.9° | 109.4° |
| C2 | C1 | H1 | 110.3° | 109.5° |
| C2 | C1 | H1A | 110.9° | 109.5° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| C1 | C2 | C3 | 111.9° | 109.4° |
| C1 | C2 | H2A | 108.1° | 109.5° |
| H1 | C1 | H1A | 107.5° | 109.5° |
| H2 | C2 | C3 | 108.6° | 109.4° |
| H2 | C2 | H2A | 111.4° | 109.5° |
| C3 | C2 | H2A | 108.1° | 109.5° |
| C2 | C3 | C4 | 111.2° | 109.4° |
| C2 | C3 | H3 | 108.9° | 109.4° |
| C2 | C3 | H3A | 108.5° | 109.5° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C4 | C3 | H3A | 108.5° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| H3 | C3 | H3A | 110.8° | 109.5° |
| H4 | C4 | H4A | 109.4° | 109.5° |
| H4 | C4 | H4B | 109.4° | 109.4° |
| H4A | C4 | H4B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | O1 | H | 180.0° | 179.7° |
| C | N | C1 | HN | 180.0° | 180.0° |
| C | N | C1 | C2 | 140.9° | 180.0° |
| C | N | C1 | H1 | 20.9° | 60.0° |
| C | N | C1 | H1A | 98.1° | 60.1° |
| O1 | C | N | C1 | 179.9° | 0.3° |
| O1 | C | N | HN | 0.1° | 179.7° |
| H | C | N | C1 | 0.1° | 180.0° |
| H | C | N | HN | 179.9° | 0.0° |
| N | C1 | C2 | H1 | 120.0° | 120.0° |
| N | C1 | C2 | H1A | 121.0° | 120.0° |
| N | C1 | H1 | H1A | 121.1° | 120.0° |
| N | C1 | C2 | H2 | 40.7° | 60.0° |
| N | C1 | C2 | C3 | 160.7° | 180.0° |
| N | C1 | C2 | H2A | 80.3° | 60.0° |
| HN | N | C1 | C2 | 39.1° | 0.0° |
| HN | N | C1 | H1 | 159.1° | 120.0° |
| HN | N | C1 | H1A | 81.9° | 120.0° |
| C2 | C1 | H1 | H1A | 121.1° | 120.0° |
| C1 | C2 | H2 | C3 | 122.0° | 119.9° |
| C1 | C2 | H2 | H2A | 119.0° | 120.0° |
| C1 | C2 | C3 | H2A | 119.0° | 120.0° |
| C1 | C2 | C3 | C4 | 169.0° | 180.0° |
| C1 | C2 | C3 | H3 | 71.0° | 60.0° |
| C1 | C2 | C3 | H3A | 49.7° | 60.0° |
| H1 | C1 | C2 | H2 | 160.7° | 180.0° |
| H1 | C1 | C2 | C3 | 79.3° | 60.0° |
| H1 | C1 | C2 | H2A | 39.7° | 60.0° |
| H1A | C1 | C2 | H2 | 80.3° | 59.9° |
| H1A | C1 | C2 | C3 | 39.7° | 60.0° |
| H1A | C1 | C2 | H2A | 158.7° | 180.0° |
| H2 | C2 | C3 | H2A | 121.0° | 120.0° |
| H2 | C2 | C3 | C4 | 49.0° | 60.0° |
| H2 | C2 | C3 | H3 | 169.0° | 180.0° |
| H2 | C2 | C3 | H3A | 70.3° | 60.0° |
| C2 | C3 | C4 | H3 | 120.0° | 119.9° |
| C2 | C3 | C4 | H3A | 119.3° | 120.0° |
| C2 | C3 | H3 | H3A | 119.3° | 120.0° |
| C2 | C3 | C4 | H4 | 73.3° | 60.1° |
| C2 | C3 | C4 | H4A | 46.7° | 60.0° |
| C2 | C3 | C4 | H4B | 166.7° | 180.0° |
| H2A | C2 | C3 | C4 | 72.0° | 60.0° |
| H2A | C2 | C3 | H3 | 48.0° | 60.0° |
| H2A | C2 | C3 | H3A | 168.7° | 180.0° |
| C4 | C3 | H3 | H3A | 119.3° | 120.0° |
| C3 | C4 | H4 | H4A | 120.0° | 120.1° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 166.8° | 180.0° |
| H3 | C3 | C4 | H4A | 73.2° | 59.9° |
| H3 | C3 | C4 | H4B | 46.7° | 60.0° |
| H3A | C3 | C4 | H4 | 46.0° | 60.0° |
| H3A | C3 | C4 | H4A | 166.0° | 180.0° |
| H3A | C3 | C4 | H4B | 74.0° | 60.0° |
| H4 | C4 | H4A | H4B | 120.0° | 119.9° |
