NF2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C2 | sing | 1.34Å | 1.31Å | |
| C2 | C3 | doub | 1.40Å | 1.27Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.27Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | F4 | sing | 1.34Å | 1.33Å | |
| C4 | C5 | doub | 1.39Å | 1.45Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.27Å | Aromatic |
| C1 | C1' | sing | 1.50Å | 1.53Å | |
| C6 | C5 | sing | 1.40Å | 1.27Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C5 | CM | sing | 1.49Å | 1.50Å | |
| CM | HM1 | sing | 1.10Å | 1.10Å | |
| CM | HM2 | sing | 1.10Å | 1.10Å | |
| CM | HM3 | sing | 1.10Å | 1.10Å | |
| C1' | O4' | sing | 1.45Å | 1.44Å | |
| C1' | C2' | sing | 1.53Å | 1.52Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| O4' | C4' | sing | 1.45Å | 1.45Å | |
| C2' | O2' | sing | 1.41Å | 1.42Å | |
| C2' | C3' | sing | 1.52Å | 1.52Å | |
| C2' | H2' | sing | 1.10Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.52Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | C5' | sing | 1.52Å | 1.52Å | |
| C4' | H4' | sing | 1.10Å | 1.10Å | |
| C5' | O5' | sing | 1.42Å | 1.44Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| O5' | P | sing | 1.62Å | 1.62Å | |
| P | OP1 | doub | 1.50Å | 1.48Å | |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| P | OP3 | sing | 1.62Å | 11.93Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C2 | C3 | 118.7° | 119.5° |
| F2 | C2 | C1 | 118.0° | 120.4° |
| C3 | C2 | C1 | 123.3° | 120.1° |
| C2 | C3 | C4 | 119.6° | 120.0° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C2 | C1 | C6 | 119.0° | 119.9° |
| C2 | C1 | C1' | 120.0° | 120.2° |
| C4 | C3 | H3 | 120.2° | 120.0° |
| C3 | C4 | F4 | 123.4° | 119.5° |
| C3 | C4 | C5 | 118.1° | 120.0° |
| F4 | C4 | C5 | 118.5° | 120.5° |
| C4 | C5 | C6 | 118.8° | 120.1° |
| C4 | C5 | CM | 118.4° | 120.1° |
| C6 | C1 | C1' | 121.0° | 119.9° |
| C1 | C6 | C5 | 121.2° | 120.0° |
| C1 | C6 | H6 | 119.4° | 120.0° |
| C1 | C1' | O4' | 111.2° | 112.7° |
| C1 | C1' | C2' | 111.9° | 113.3° |
| C1 | C1' | H1' | 105.7° | 106.9° |
| C5 | C6 | H6 | 119.4° | 120.0° |
| C6 | C5 | CM | 122.7° | 119.8° |
| C5 | CM | HM1 | 109.5° | 110.3° |
| C5 | CM | HM2 | 109.5° | 111.2° |
| C5 | CM | HM3 | 109.5° | 111.2° |
| HM1 | CM | HM2 | 109.5° | 108.5° |
| HM1 | CM | HM3 | 109.5° | 108.6° |
| HM2 | CM | HM3 | 109.5° | 106.9° |
| O4' | C1' | C2' | 106.7° | 105.7° |
| O4' | C1' | H1' | 111.0° | 107.3° |
| C1' | O4' | C4' | 106.2° | 109.5° |
| C2' | C1' | H1' | 110.4° | 110.8° |
| C1' | C2' | O2' | 117.2° | 112.0° |
| C1' | C2' | C3' | 99.6° | 102.5° |
| C1' | C2' | H2' | 110.9° | 110.8° |
| O4' | C4' | C3' | 104.9° | 106.3° |
| O4' | C4' | C5' | 111.2° | 108.3° |
| O4' | C4' | H4' | 114.5° | 107.6° |
| O2' | C2' | C3' | 108.6° | 112.8° |
| O2' | C2' | H2' | 102.2° | 108.7° |
| C2' | O2' | HO2' | 109.5° | 107.2° |
| C3' | C2' | H2' | 119.2° | 109.9° |
| C2' | C3' | O3' | 111.3° | 110.8° |
| C2' | C3' | C4' | 97.9° | 102.4° |
| C2' | C3' | H3' | 116.7° | 113.2° |
| O3' | C3' | C4' | 112.3° | 109.4° |
| O3' | C3' | H3' | 103.3° | 107.2° |
| C3' | O3' | HO3' | 109.5° | 106.4° |
| C4' | C3' | H3' | 115.7° | 113.9° |
| C3' | C4' | C5' | 117.1° | 113.0° |
| C3' | C4' | H4' | 108.1° | 112.1° |
| C5' | C4' | H4' | 101.4° | 109.3° |
| C4' | C5' | O5' | 108.8° | 108.7° |
| C4' | C5' | H5' | 109.8° | 110.1° |
| C4' | C5' | H5'' | 109.7° | 110.1° |
| O5' | C5' | H5' | 109.8° | 109.1° |
| O5' | C5' | H5'' | 109.7° | 109.1° |
| C5' | O5' | P | 121.9° | 118.5° |
| H5' | C5' | H5'' | 108.9° | 109.6° |
| O5' | P | OP1 | 109.2° | 115.0° |
| O5' | P | OP2 | 105.0° | 103.7° |
| O5' | P | OP3 | 135.7° | 103.0° |
| OP1 | P | OP2 | 120.3° | 115.3° |
| OP1 | P | OP3 | 26.9° | 115.0° |
| OP2 | P | OP3 | 107.6° | 103.3° |
| P | OP2 | HOP2 | 109.5° | 118.9° |
| P | OP3 | HOP3 | 135.7° | 118.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C2 | C3 | C1 | 177.1° | 180.0° |
| F2 | C2 | C3 | C4 | 178.3° | 180.0° |
| F2 | C2 | C3 | H3 | 1.7° | 0.0° |
| F2 | C2 | C1 | C6 | 178.7° | 180.0° |
| F2 | C2 | C1 | C1' | 0.8° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | F4 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | C6 | 1.5° | 0.0° |
| C3 | C2 | C1 | C1' | 176.4° | 180.0° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C1 | C2 | C3 | H3 | 178.9° | 180.0° |
| C2 | C1 | C6 | C1' | 177.8° | 179.9° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C2 | C1 | C6 | H6 | 179.6° | 179.9° |
| C2 | C1 | C1' | O4' | 158.5° | 147.6° |
| C2 | C1 | C1' | C2' | 82.2° | 92.4° |
| C2 | C1 | C1' | H1' | 38.0° | 30.0° |
| C3 | C4 | F4 | C5 | 179.6° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C3 | C4 | C5 | CM | 178.4° | 180.0° |
| H3 | C3 | C4 | F4 | 0.1° | 0.0° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| F4 | C4 | C5 | C6 | 179.1° | 180.0° |
| F4 | C4 | C5 | CM | 2.0° | 0.0° |
| C4 | C5 | C6 | C1 | 0.9° | 0.0° |
| C4 | C5 | C6 | CM | 177.1° | 180.0° |
| C4 | C5 | C6 | H6 | 179.1° | 180.0° |
| C4 | C5 | CM | HM1 | 138.2° | 2.5° |
| C4 | C5 | CM | HM2 | 101.8° | 118.0° |
| C4 | C5 | CM | HM3 | 18.2° | 123.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | CM | 177.9° | 180.0° |
| C6 | C1 | C1' | O4' | 23.7° | 32.3° |
| C6 | C1 | C1' | C2' | 95.6° | 87.7° |
| C6 | C1 | C1' | H1' | 144.2° | 150.0° |
| C1' | C1 | C6 | C5 | 177.4° | 180.0° |
| C1' | C1 | C6 | H6 | 2.6° | 0.0° |
| C1 | C1' | O4' | C2' | 122.3° | 124.2° |
| C1 | C1' | O4' | H1' | 117.4° | 117.4° |
| C1 | C1' | C2' | H1' | 117.4° | 120.2° |
| C1 | C1' | O4' | C4' | 114.8° | 137.4° |
| C1 | C1' | C2' | O2' | 156.6° | 83.8° |
| C1 | C1' | C2' | C3' | 86.7° | 155.0° |
| C1 | C1' | C2' | H2' | 39.7° | 37.8° |
| C6 | C5 | CM | HM1 | 38.9° | 177.5° |
| C6 | C5 | CM | HM2 | 81.1° | 62.1° |
| C6 | C5 | CM | HM3 | 158.9° | 57.0° |
| H6 | C6 | C5 | CM | 2.1° | 0.1° |
| C5 | CM | HM1 | HM2 | 120.0° | 122.1° |
| C5 | CM | HM1 | HM3 | 120.0° | 122.2° |
| C5 | CM | HM2 | HM3 | 120.0° | 121.6° |
| HM1 | CM | HM2 | HM3 | 120.0° | 116.9° |
| O4' | C1' | C2' | H1' | 120.7° | 116.0° |
| O4' | C1' | C2' | O2' | 81.5° | 152.3° |
| O4' | C1' | C2' | C3' | 35.2° | 31.1° |
| O4' | C1' | C2' | H2' | 161.6° | 86.1° |
| C1' | O4' | C4' | C3' | 23.5° | 10.2° |
| C1' | O4' | C4' | C5' | 151.0° | 111.5° |
| C1' | O4' | C4' | H4' | 94.8° | 130.5° |
| C2' | C1' | O4' | C4' | 7.5° | 13.2° |
| C1' | C2' | O2' | C3' | 111.7° | 115.0° |
| C1' | C2' | O2' | H2' | 121.5° | 122.8° |
| C1' | C2' | C3' | H2' | 120.6° | 117.9° |
| C1' | C2' | O2' | HO2' | 67.6° | 113.5° |
| C1' | C2' | C3' | O3' | 164.5° | 80.2° |
| C1' | C2' | C3' | C4' | 46.8° | 36.3° |
| C1' | C2' | C3' | H3' | 77.3° | 159.3° |
| H1' | C1' | O4' | C4' | 127.8° | 105.1° |
| H1' | C1' | C2' | O2' | 39.1° | 36.3° |
| H1' | C1' | C2' | C3' | 155.9° | 84.9° |
| H1' | C1' | C2' | H2' | 77.7° | 157.9° |
| O4' | C4' | C3' | C2' | 44.6° | 29.4° |
| O4' | C4' | C3' | O3' | 161.6° | 88.2° |
| O4' | C4' | C3' | C5' | 123.8° | 118.7° |
| O4' | C4' | C3' | H4' | 122.5° | 117.3° |
| O4' | C4' | C3' | H3' | 80.1° | 151.9° |
| O4' | C4' | C5' | H4' | 122.1° | 116.9° |
| O4' | C4' | C5' | O5' | 62.5° | 62.0° |
| O4' | C4' | C5' | H5' | 177.2° | 57.5° |
| O4' | C4' | C5' | H5'' | 57.5° | 178.5° |
| O2' | C2' | C3' | H2' | 116.3° | 121.5° |
| O2' | C2' | C3' | O3' | 41.4° | 40.4° |
| O2' | C2' | C3' | C4' | 76.3° | 156.9° |
| O2' | C2' | C3' | H3' | 159.6° | 80.0° |
| C3' | C2' | O2' | HO2' | 44.1° | 131.5° |
| C2' | C3' | O3' | C4' | 108.6° | 112.1° |
| C2' | C3' | O3' | H3' | 126.0° | 123.9° |
| C2' | C3' | C4' | H3' | 124.7° | 122.5° |
| C2' | C3' | O3' | HO3' | 14.7° | 32.3° |
| C2' | C3' | C4' | C5' | 168.4° | 89.3° |
| C2' | C3' | C4' | H4' | 77.9° | 146.7° |
| H2' | C2' | O2' | HO2' | 170.9° | 9.3° |
| H2' | C2' | C3' | O3' | 74.9° | 161.9° |
| H2' | C2' | C3' | C4' | 167.4° | 81.6° |
| H2' | C2' | C3' | H3' | 43.3° | 41.4° |
| O3' | C3' | C4' | H3' | 118.3° | 119.9° |
| O3' | C3' | C4' | C5' | 74.6° | 153.2° |
| O3' | C3' | C4' | H4' | 39.1° | 29.1° |
| C4' | C3' | O3' | HO3' | 123.4° | 144.4° |
| C3' | C4' | C5' | H4' | 117.3° | 125.5° |
| C3' | C4' | C5' | O5' | 58.1° | 179.5° |
| C3' | C4' | C5' | H5' | 62.2° | 60.0° |
| C3' | C4' | C5' | H5'' | 178.1° | 61.0° |
| H3' | C3' | O3' | HO3' | 111.2° | 91.6° |
| H3' | C3' | C4' | C5' | 43.7° | 33.2° |
| H3' | C3' | C4' | H4' | 157.4° | 90.8° |
| C4' | C5' | O5' | H5' | 120.3° | 120.1° |
| C4' | C5' | O5' | H5'' | 120.0° | 120.1° |
| C4' | C5' | H5' | H5'' | 120.2° | 121.3° |
| C4' | C5' | O5' | P | 166.9° | 180.0° |
| H4' | C4' | C5' | O5' | 175.4° | 54.9° |
| H4' | C4' | C5' | H5' | 55.2° | 174.4° |
| H4' | C4' | C5' | H5'' | 64.6° | 64.6° |
| O5' | C5' | H5' | H5'' | 120.2° | 119.5° |
| C5' | O5' | P | OP1 | 43.1° | 180.0° |
| C5' | O5' | P | OP2 | 173.4° | 53.2° |
| C5' | O5' | P | OP3 | 37.0° | 54.2° |
| H5' | C5' | O5' | P | 72.8° | 59.9° |
| H5'' | C5' | O5' | P | 46.9° | 59.8° |
| O5' | P | OP1 | OP2 | 121.5° | 120.6° |
| O5' | P | OP1 | OP3 | 170.6° | 119.3° |
| O5' | P | OP2 | OP3 | 149.6° | 107.2° |
| O5' | P | OP2 | HOP2 | 2.5° | 175.3° |
| O5' | P | OP3 | HOP3 | 180.0° | 173.8° |
| OP1 | P | OP2 | OP3 | 26.1° | 126.3° |
| OP1 | P | OP2 | HOP2 | 121.0° | 48.8° |
| OP1 | P | OP3 | HOP3 | 167.3° | 48.0° |
| OP2 | P | OP3 | HOP3 | 44.4° | 78.4° |
| OP3 | P | OP2 | HOP2 | 147.2° | 77.5° |
