F3I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | RH3 | sing | 1.81Å | 2.09Å | |
| RH3 | O12 | sing | 1.80Å | 2.09Å | |
| RH3 | O14 | sing | 1.81Å | 2.09Å | |
| RH3 | O10 | sing | 1.81Å | 2.09Å | |
| O12 | C1 | sing | 1.39Å | 1.24Å | |
| O15 | RH4 | sing | 1.81Å | 2.10Å | |
| RH4 | O13 | sing | 1.81Å | 2.04Å | |
| RH4 | O11 | sing | 1.82Å | 2.15Å | |
| RH4 | O16 | sing | 1.79Å | 2.09Å | |
| O11 | C1 | sing | 1.43Å | 1.24Å | |
| C1 | C2 | sing | 1.54Å | 1.63Å | |
| C1 | H5 | sing | 1.11Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| O14 | H1 | sing | 0.97Å | 0.95Å | |
| O10 | H9 | sing | 0.97Å | 0.95Å | |
| O9 | H10 | sing | 0.97Å | 0.95Å | |
| O16 | H4 | sing | 0.97Å | 0.95Å | |
| O15 | H3 | sing | 0.97Å | 0.95Å | |
| O13 | H2 | sing | 0.97Å | 0.95Å | |
| RH3 | RH4 | sing | 2.36Å | 2.50Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | RH3 | O12 | 92.0° | 91.8° |
| O9 | RH3 | O14 | 81.8° | 91.7° |
| O9 | RH3 | O10 | 171.1° | 119.6° |
| RH3 | O9 | H10 | 109.5° | 114.0° |
| O9 | RH3 | RH4 | 87.1° | 120.1° |
| O12 | RH3 | O14 | 171.9° | 172.9° |
| O12 | RH3 | O10 | 84.6° | 91.9° |
| RH3 | O12 | C1 | 128.5° | 119.5° |
| O12 | RH3 | RH4 | 81.0° | 81.6° |
| O14 | RH3 | O10 | 100.8° | 91.7° |
| RH3 | O14 | H1 | 109.5° | 114.0° |
| O14 | RH3 | RH4 | 93.4° | 91.3° |
| RH3 | O10 | H9 | 109.5° | 114.0° |
| O10 | RH3 | RH4 | 84.3° | 120.0° |
| O12 | C1 | O11 | 124.0° | 123.7° |
| O12 | C1 | C2 | 135.6° | 107.5° |
| O12 | C1 | H5 | 90.3° | 105.5° |
| O15 | RH4 | O13 | 177.0° | 180.0° |
| O15 | RH4 | O11 | 81.3° | 90.0° |
| O15 | RH4 | O16 | 90.3° | 90.0° |
| RH4 | O15 | H3 | 109.5° | 114.1° |
| O15 | RH4 | RH3 | 90.5° | 90.0° |
| O13 | RH4 | O11 | 96.4° | 90.1° |
| O13 | RH4 | O16 | 91.9° | 90.0° |
| RH4 | O13 | H2 | 109.5° | 114.0° |
| O13 | RH4 | RH3 | 87.6° | 90.0° |
| O11 | RH4 | O16 | 171.0° | 135.6° |
| RH4 | O11 | C1 | 114.5° | 104.7° |
| O11 | RH4 | RH3 | 90.3° | 96.2° |
| RH4 | O16 | H4 | 109.5° | 114.0° |
| O16 | RH4 | RH3 | 86.4° | 128.2° |
| O11 | C1 | C2 | 100.3° | 107.4° |
| O11 | C1 | H5 | 90.3° | 105.5° |
| C2 | C1 | H5 | 90.2° | 106.0° |
| C1 | C2 | H6 | 109.5° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| H6 | C2 | H7 | 109.5° | 109.4° |
| H6 | C2 | H8 | 109.4° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | RH3 | O12 | O14 | 39.7° | 119.1° |
| O9 | RH3 | O12 | O10 | 171.8° | 119.7° |
| O9 | RH3 | O12 | RH4 | 86.8° | 120.2° |
| O9 | RH3 | O14 | O10 | 171.4° | 119.7° |
| O9 | RH3 | O14 | RH4 | 86.6° | 120.2° |
| O9 | RH3 | O10 | RH4 | 14.1° | 174.5° |
| O9 | RH3 | O12 | C1 | 82.5° | 151.4° |
| O9 | RH3 | RH4 | O15 | 176.3° | 28.7° |
| O9 | RH3 | RH4 | O13 | 1.4° | 151.3° |
| O9 | RH3 | RH4 | O11 | 95.0° | 118.6° |
| O9 | RH3 | RH4 | O16 | 93.4° | 61.3° |
| O9 | RH3 | O14 | H1 | 180.0° | 60.0° |
| O9 | RH3 | O10 | H9 | 180.0° | 0.0° |
| O12 | RH3 | O14 | O10 | 131.2° | 121.2° |
| O12 | RH3 | O14 | RH4 | 46.4° | 1.1° |
| O12 | RH3 | O10 | RH4 | 81.5° | 81.4° |
| O12 | RH3 | RH4 | O15 | 83.8° | 58.5° |
| O12 | RH3 | RH4 | O13 | 93.8° | 121.6° |
| O12 | RH3 | RH4 | O11 | 2.5° | 31.5° |
| O12 | RH3 | RH4 | O16 | 174.1° | 148.4° |
| RH3 | O12 | C1 | O11 | 14.3° | 18.9° |
| RH3 | O12 | C1 | C2 | 164.6° | 107.0° |
| RH3 | O12 | C1 | H5 | 104.8° | 140.2° |
| O12 | RH3 | O14 | H1 | 139.8° | 179.1° |
| O12 | RH3 | O10 | H9 | 112.6° | 93.2° |
| O12 | RH3 | O9 | H10 | 180.0° | 90.1° |
| O14 | RH3 | O10 | RH4 | 92.4° | 92.6° |
| O14 | RH3 | O12 | C1 | 42.8° | 32.3° |
| O14 | RH3 | RH4 | O15 | 102.1° | 121.4° |
| O14 | RH3 | RH4 | O13 | 80.2° | 58.6° |
| O14 | RH3 | RH4 | O11 | 176.6° | 148.6° |
| O14 | RH3 | RH4 | O16 | 11.8° | 31.5° |
| O14 | RH3 | O10 | H9 | 73.5° | 92.9° |
| O14 | RH3 | O9 | H10 | 5.2° | 96.1° |
| O10 | RH3 | O12 | C1 | 89.3° | 88.9° |
| O10 | RH3 | RH4 | O15 | 1.6° | 145.8° |
| O10 | RH3 | RH4 | O13 | 179.2° | 34.2° |
| O10 | RH3 | RH4 | O11 | 82.9° | 55.9° |
| O10 | RH3 | RH4 | O16 | 88.7° | 124.2° |
| O10 | RH3 | O14 | H1 | 8.6° | 59.7° |
| O10 | RH3 | O9 | H10 | 113.1° | 3.2° |
| O12 | C1 | O11 | RH4 | 15.7° | 13.6° |
| O12 | C1 | O11 | C2 | 179.2° | 126.0° |
| O12 | C1 | O11 | H5 | 90.5° | 121.2° |
| O12 | C1 | C2 | H5 | 90.6° | 112.5° |
| O12 | C1 | C2 | H6 | 180.0° | 60.0° |
| O12 | C1 | C2 | H7 | 60.0° | 180.0° |
| O12 | C1 | C2 | H8 | 60.0° | 60.0° |
| C1 | O12 | RH3 | RH4 | 4.3° | 31.2° |
| O15 | RH4 | O13 | O11 | 39.3° | 177.3° |
| O15 | RH4 | O13 | O16 | 137.0° | 41.6° |
| O15 | RH4 | O13 | RH3 | 50.8° | 86.5° |
| O15 | RH4 | O11 | O16 | 22.2° | 89.9° |
| O15 | RH4 | O11 | RH3 | 90.4° | 90.0° |
| O15 | RH4 | O16 | RH3 | 90.5° | 90.0° |
| O15 | RH4 | O11 | C1 | 100.1° | 61.0° |
| O15 | RH4 | O16 | H4 | 180.0° | 90.0° |
| O15 | RH4 | O13 | H2 | 180.0° | 93.5° |
| O13 | RH4 | O11 | O16 | 155.8° | 90.1° |
| O13 | RH4 | O11 | RH3 | 87.6° | 90.0° |
| O13 | RH4 | O16 | RH3 | 87.5° | 90.0° |
| O13 | RH4 | O11 | C1 | 77.9° | 119.0° |
| O13 | RH4 | O16 | H4 | 2.1° | 90.0° |
| O13 | RH4 | O15 | H3 | 180.0° | 93.4° |
| O11 | RH4 | O16 | RH3 | 68.5° | 179.9° |
| RH4 | O11 | C1 | C2 | 163.5° | 139.6° |
| RH4 | O11 | C1 | H5 | 106.2° | 107.6° |
| O11 | RH4 | O16 | H4 | 158.0° | 0.1° |
| O11 | RH4 | O15 | H3 | 140.5° | 83.9° |
| O11 | RH4 | O13 | H2 | 140.7° | 83.8° |
| O16 | RH4 | O11 | C1 | 77.9° | 150.9° |
| O16 | RH4 | O15 | H3 | 42.9° | 51.8° |
| O16 | RH4 | O13 | H2 | 43.0° | 51.9° |
| O11 | C1 | C2 | H5 | 90.3° | 112.4° |
| O11 | C1 | C2 | H6 | 0.9° | 75.1° |
| O11 | C1 | C2 | H7 | 120.9° | 44.9° |
| O11 | C1 | C2 | H8 | 119.1° | 164.9° |
| C1 | O11 | RH4 | RH3 | 9.7° | 29.0° |
| C1 | C2 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | H6 | H8 | 120.0° | 120.0° |
| C1 | C2 | H7 | H8 | 120.0° | 120.0° |
| H5 | C1 | C2 | H6 | 89.4° | 172.5° |
| H5 | C1 | C2 | H7 | 30.6° | 67.5° |
| H5 | C1 | C2 | H8 | 150.6° | 52.5° |
| H6 | C2 | H7 | H8 | 120.0° | 120.0° |
| H1 | O14 | RH3 | RH4 | 93.4° | 179.8° |
| H9 | O10 | RH3 | RH4 | 165.9° | 174.6° |
| H10 | O9 | RH3 | RH4 | 99.1° | 171.4° |
| H4 | O16 | RH4 | RH3 | 89.5° | 180.0° |
| H3 | O15 | RH4 | RH3 | 129.3° | 179.9° |
| H2 | O13 | RH4 | RH3 | 129.3° | 179.9° |
