XH4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | sing | 1.43Å | 1.40Å | |
| C03 | C02 | sing | 1.53Å | 1.49Å | |
| C04 | C03 | sing | 1.54Å | 1.53Å | |
| C05 | C04 | sing | 1.55Å | 1.29Å | |
| N06 | C05 | sing | 1.49Å | 1.49Å | |
| N07 | N06 | sing | 1.46Å | 1.29Å | |
| C03 | N07 | sing | 1.48Å | 1.54Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 1.01Å | 1.00Å | |
| N07 | H071 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 101.9° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| O01 | C02 | H021 | 111.3° | 109.5° |
| O01 | C02 | H022 | 111.3° | 109.4° |
| C02 | C03 | C04 | 112.6° | 110.2° |
| C02 | C03 | N07 | 113.7° | 110.2° |
| C03 | C02 | H021 | 111.4° | 109.5° |
| C03 | C02 | H022 | 111.3° | 109.5° |
| C02 | C03 | H031 | 108.7° | 110.1° |
| C03 | C04 | C05 | 104.2° | 102.5° |
| C04 | C03 | N07 | 105.4° | 105.9° |
| C04 | C03 | H031 | 108.2° | 110.2° |
| C03 | C04 | H042 | 110.8° | 110.8° |
| C03 | C04 | H041 | 110.8° | 110.8° |
| C04 | C05 | N06 | 113.6° | 102.2° |
| C05 | C04 | H042 | 110.8° | 110.8° |
| C05 | C04 | H041 | 110.8° | 110.9° |
| C04 | C05 | H052 | 108.4° | 110.8° |
| C04 | C05 | H051 | 108.4° | 110.8° |
| C05 | N06 | N07 | 109.9° | 105.8° |
| N06 | C05 | H052 | 108.4° | 110.8° |
| N06 | C05 | H051 | 108.4° | 111.0° |
| C05 | N06 | H061 | 109.4° | 111.0° |
| N06 | N07 | C03 | 106.2° | 108.4° |
| N07 | N06 | H061 | 109.4° | 111.0° |
| N06 | N07 | H071 | 110.3° | 111.0° |
| N07 | C03 | H031 | 108.0° | 110.2° |
| C03 | N07 | H071 | 110.3° | 111.0° |
| H021 | C02 | H022 | 109.5° | 109.4° |
| H042 | C04 | H041 | 109.5° | 110.7° |
| H052 | C05 | H051 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | H021 | 118.8° | 120.0° |
| O01 | C02 | C03 | H022 | 118.8° | 120.0° |
| O01 | C02 | C03 | C04 | 100.1° | 177.0° |
| O01 | C02 | C03 | N07 | 140.1° | 66.5° |
| O01 | C02 | H021 | H022 | 123.5° | 119.9° |
| O01 | C02 | C03 | H031 | 19.8° | 55.2° |
| C02 | C03 | C04 | N07 | 124.4° | 119.1° |
| C02 | C03 | C04 | H031 | 120.2° | 121.7° |
| C02 | C03 | C04 | C05 | 130.4° | 140.5° |
| C02 | C03 | N07 | N06 | 131.7° | 117.6° |
| C02 | C03 | N07 | H031 | 120.7° | 121.7° |
| C03 | C02 | O01 | H011 | 180.0° | 180.0° |
| C03 | C02 | H021 | H022 | 123.5° | 120.0° |
| C02 | C03 | C04 | H042 | 11.2° | 22.2° |
| C02 | C03 | C04 | H041 | 110.5° | 101.1° |
| C02 | C03 | N07 | H071 | 12.2° | 4.6° |
| C03 | C04 | C05 | H042 | 119.2° | 118.3° |
| C03 | C04 | C05 | H041 | 119.2° | 118.3° |
| C03 | C04 | C05 | N06 | 2.3° | 36.0° |
| C04 | C03 | N07 | N06 | 7.9° | 1.6° |
| C04 | C03 | N07 | H031 | 115.5° | 119.2° |
| C04 | C03 | C02 | H021 | 141.1° | 63.0° |
| C04 | C03 | C02 | H022 | 18.7° | 57.0° |
| C03 | C04 | H042 | H041 | 122.4° | 123.3° |
| C03 | C04 | C05 | H052 | 122.9° | 154.1° |
| C03 | C04 | C05 | H051 | 118.3° | 82.4° |
| C04 | C03 | N07 | H071 | 111.6° | 123.7° |
| C04 | C05 | N06 | H052 | 120.6° | 118.1° |
| C04 | C05 | N06 | H051 | 120.6° | 118.2° |
| C04 | C05 | N06 | N07 | 3.0° | 38.1° |
| C05 | C04 | C03 | N07 | 5.9° | 21.4° |
| C05 | C04 | C03 | H031 | 109.4° | 97.8° |
| C05 | C04 | H042 | H041 | 122.4° | 123.5° |
| C04 | C05 | H052 | H051 | 118.1° | 123.5° |
| C04 | C05 | N06 | H061 | 123.1° | 82.4° |
| C05 | N06 | N07 | H061 | 120.1° | 120.5° |
| C05 | N06 | N07 | C03 | 6.6° | 25.3° |
| N06 | C05 | C04 | H042 | 116.9° | 82.3° |
| N06 | C05 | C04 | H041 | 121.5° | 154.3° |
| N06 | C05 | H052 | H051 | 118.1° | 123.7° |
| C05 | N06 | N07 | H071 | 112.8° | 147.5° |
| N06 | N07 | C03 | H071 | 119.5° | 122.2° |
| N06 | N07 | C03 | H031 | 107.6° | 120.7° |
| N07 | N06 | C05 | H052 | 117.6° | 156.2° |
| N07 | N06 | C05 | H051 | 123.6° | 80.1° |
| N07 | C03 | C02 | H021 | 21.3° | 53.6° |
| N07 | C03 | C02 | H022 | 101.1° | 173.6° |
| N07 | C03 | C04 | H042 | 113.2° | 96.9° |
| N07 | C03 | C04 | H041 | 125.1° | 139.8° |
| C03 | N07 | N06 | H061 | 126.7° | 95.2° |
| H011 | O01 | C02 | H021 | 61.2° | 59.9° |
| H011 | O01 | C02 | H022 | 61.2° | 60.0° |
| H021 | C02 | C03 | H031 | 99.0° | 175.3° |
| H022 | C02 | C03 | H031 | 138.5° | 64.7° |
| H031 | C03 | C04 | H042 | 131.4° | 143.9° |
| H031 | C03 | C04 | H041 | 9.7° | 20.7° |
| H031 | C03 | N07 | H071 | 132.9° | 117.1° |
| H042 | C04 | C05 | H052 | 3.8° | 35.8° |
| H042 | C04 | C05 | H051 | 122.5° | 159.3° |
| H041 | C04 | C05 | H052 | 117.9° | 87.6° |
| H041 | C04 | C05 | H051 | 0.9° | 36.0° |
| H052 | C05 | N06 | H061 | 2.5° | 35.7° |
| H051 | C05 | N06 | H061 | 116.3° | 159.4° |
| H061 | N06 | N07 | H071 | 7.2° | 27.0° |
