TO4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM2 | CM | sing | 1.53Å | 1.49Å | |
| CM | CM1 | sing | 1.53Å | 1.51Å | |
| CM | O2 | sing | 1.43Å | 1.46Å | |
| O2 | P1 | sing | 1.61Å | 1.58Å | |
| O1 | P1 | doub | 1.48Å | 1.49Å | |
| P1 | C1 | sing | 1.82Å | 1.77Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | doub | 1.31Å | 1.35Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| CM | H2 | sing | 1.09Å | 1.10Å | |
| CM2 | H3 | sing | 1.09Å | 1.10Å | |
| CM2 | H4 | sing | 1.09Å | 1.10Å | |
| CM2 | H5 | sing | 1.09Å | 1.10Å | |
| CM1 | H6 | sing | 1.09Å | 1.10Å | |
| CM1 | H7 | sing | 1.09Å | 1.10Å | |
| CM1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.08Å | 1.08Å | |
| C12 | H30 | sing | 1.08Å | 1.08Å | |
| C12 | H31 | sing | 1.08Å | 1.08Å | |
| P1 | F1 | sing | 1.67Å | 1.58Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM2 | CM | CM1 | 112.2° | 109.5° |
| CM2 | CM | O2 | 108.3° | 109.5° |
| CM2 | CM | H2 | 109.5° | 109.4° |
| CM | CM2 | H3 | 109.5° | 109.5° |
| CM | CM2 | H4 | 109.4° | 109.5° |
| CM | CM2 | H5 | 109.4° | 109.5° |
| CM1 | CM | O2 | 107.7° | 109.5° |
| CM1 | CM | H2 | 109.2° | 109.5° |
| CM | CM1 | H6 | 109.5° | 109.5° |
| CM | CM1 | H7 | 109.5° | 109.5° |
| CM | CM1 | H8 | 109.5° | 109.5° |
| CM | O2 | P1 | 133.6° | 123.0° |
| O2 | CM | H2 | 109.8° | 109.5° |
| O2 | P1 | O1 | 117.6° | 109.5° |
| O2 | P1 | C1 | 111.9° | 109.5° |
| O2 | P1 | F1 | 98.8° | 109.4° |
| O1 | P1 | C1 | 116.4° | 109.5° |
| O1 | P1 | F1 | 107.5° | 109.5° |
| P1 | C1 | C2 | 117.5° | 109.5° |
| P1 | C1 | H9 | 107.4° | 109.5° |
| P1 | C1 | H10 | 107.4° | 109.4° |
| C1 | P1 | F1 | 101.5° | 109.5° |
| C1 | C2 | C3 | 113.1° | 109.5° |
| C2 | C1 | H9 | 107.4° | 109.5° |
| C2 | C1 | H10 | 107.4° | 109.5° |
| C1 | C2 | H11 | 108.6° | 109.5° |
| C1 | C2 | H12 | 108.6° | 109.5° |
| C12 | C11 | C10 | 125.7° | 120.0° |
| C12 | C11 | H29 | 117.1° | 120.0° |
| C11 | C12 | H30 | 120.0° | 120.0° |
| C11 | C12 | H31 | 120.0° | 120.0° |
| C2 | C3 | C4 | 115.4° | 109.5° |
| C3 | C2 | H11 | 108.6° | 109.5° |
| C3 | C2 | H12 | 108.6° | 109.5° |
| C2 | C3 | H13 | 108.0° | 109.5° |
| C2 | C3 | H14 | 108.0° | 109.5° |
| C8 | C9 | C10 | 114.9° | 109.5° |
| C9 | C8 | C7 | 112.9° | 109.5° |
| C9 | C8 | H23 | 108.6° | 109.4° |
| C9 | C8 | H24 | 108.6° | 109.5° |
| C8 | C9 | H25 | 108.1° | 109.5° |
| C8 | C9 | H26 | 108.1° | 109.5° |
| C9 | C10 | C11 | 115.4° | 109.5° |
| C10 | C9 | H25 | 108.1° | 109.5° |
| C10 | C9 | H26 | 108.1° | 109.5° |
| C9 | C10 | H27 | 108.0° | 109.5° |
| C9 | C10 | H28 | 108.0° | 109.5° |
| C8 | C7 | C6 | 114.5° | 109.4° |
| C8 | C7 | H21 | 108.2° | 109.5° |
| C8 | C7 | H22 | 108.2° | 109.5° |
| C7 | C8 | H23 | 108.6° | 109.5° |
| C7 | C8 | H24 | 108.6° | 109.5° |
| C11 | C10 | H27 | 108.0° | 109.4° |
| C11 | C10 | H28 | 108.0° | 109.5° |
| C10 | C11 | H29 | 117.1° | 120.0° |
| C3 | C4 | C5 | 112.4° | 109.5° |
| C4 | C3 | H13 | 108.0° | 109.5° |
| C4 | C3 | H14 | 108.0° | 109.5° |
| C3 | C4 | H15 | 108.8° | 109.5° |
| C3 | C4 | H16 | 108.7° | 109.5° |
| C4 | C5 | C6 | 114.6° | 109.5° |
| C5 | C4 | H15 | 108.7° | 109.5° |
| C5 | C4 | H16 | 108.7° | 109.5° |
| C4 | C5 | H17 | 108.1° | 109.5° |
| C4 | C5 | H18 | 108.2° | 109.5° |
| C7 | C6 | C5 | 113.7° | 109.4° |
| C7 | C6 | H19 | 108.4° | 109.5° |
| C7 | C6 | H20 | 108.4° | 109.4° |
| C6 | C7 | H21 | 108.2° | 109.5° |
| C6 | C7 | H22 | 108.2° | 109.4° |
| C6 | C5 | H17 | 108.2° | 109.5° |
| C6 | C5 | H18 | 108.2° | 109.5° |
| C5 | C6 | H19 | 108.4° | 109.5° |
| C5 | C6 | H20 | 108.4° | 109.5° |
| H3 | CM2 | H4 | 109.5° | 109.5° |
| H3 | CM2 | H5 | 109.5° | 109.5° |
| H4 | CM2 | H5 | 109.5° | 109.5° |
| H6 | CM1 | H7 | 109.4° | 109.5° |
| H6 | CM1 | H8 | 109.5° | 109.5° |
| H7 | CM1 | H8 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.4° | 109.5° |
| H15 | C4 | H16 | 109.5° | 109.5° |
| H17 | C5 | H18 | 109.5° | 109.5° |
| H19 | C6 | H20 | 109.4° | 109.5° |
| H21 | C7 | H22 | 109.5° | 109.5° |
| H23 | C8 | H24 | 109.4° | 109.5° |
| H25 | C9 | H26 | 109.5° | 109.5° |
| H27 | C10 | H28 | 109.5° | 109.5° |
| H30 | C12 | H31 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM2 | CM | CM1 | O2 | 119.1° | 120.0° |
| CM2 | CM | CM1 | H2 | 121.6° | 119.9° |
| CM2 | CM | O2 | H2 | 119.5° | 120.0° |
| CM2 | CM | O2 | P1 | 75.7° | 120.0° |
| CM | CM2 | H3 | H4 | 120.0° | 120.0° |
| CM | CM2 | H3 | H5 | 120.0° | 120.0° |
| CM | CM2 | H4 | H5 | 119.9° | 120.0° |
| CM2 | CM | CM1 | H6 | 180.0° | 180.0° |
| CM2 | CM | CM1 | H7 | 60.0° | 59.9° |
| CM2 | CM | CM1 | H8 | 60.0° | 60.0° |
| CM1 | CM | O2 | H2 | 118.9° | 120.0° |
| CM1 | CM | O2 | P1 | 162.8° | 120.0° |
| CM1 | CM | CM2 | H3 | 180.0° | 60.1° |
| CM1 | CM | CM2 | H4 | 60.0° | 60.0° |
| CM1 | CM | CM2 | H5 | 60.0° | 180.0° |
| CM | CM1 | H6 | H7 | 120.0° | 120.1° |
| CM | CM1 | H6 | H8 | 120.0° | 120.0° |
| CM | CM1 | H7 | H8 | 120.0° | 120.0° |
| CM | O2 | P1 | O1 | 17.0° | 60.0° |
| CM | O2 | P1 | C1 | 155.6° | 180.0° |
| O2 | CM | CM2 | H3 | 61.2° | 60.0° |
| O2 | CM | CM2 | H4 | 178.8° | 180.0° |
| O2 | CM | CM2 | H5 | 58.8° | 60.0° |
| O2 | CM | CM1 | H6 | 60.8° | 60.0° |
| O2 | CM | CM1 | H7 | 59.1° | 180.0° |
| O2 | CM | CM1 | H8 | 179.1° | 60.0° |
| CM | O2 | P1 | F1 | 98.1° | 60.0° |
| O2 | P1 | O1 | C1 | 136.9° | 120.0° |
| O2 | P1 | O1 | F1 | 110.2° | 120.0° |
| O2 | P1 | C1 | F1 | 104.5° | 119.9° |
| O2 | P1 | C1 | C2 | 8.6° | 180.0° |
| P1 | O2 | CM | H2 | 43.9° | 0.0° |
| O2 | P1 | C1 | H9 | 129.7° | 59.9° |
| O2 | P1 | C1 | H10 | 112.6° | 60.0° |
| O1 | P1 | C1 | F1 | 116.3° | 120.0° |
| O1 | P1 | C1 | C2 | 130.6° | 60.0° |
| O1 | P1 | C1 | H9 | 9.5° | 180.0° |
| O1 | P1 | C1 | H10 | 108.2° | 60.0° |
| P1 | C1 | C2 | H9 | 121.1° | 120.0° |
| P1 | C1 | C2 | H10 | 121.1° | 120.0° |
| P1 | C1 | C2 | C3 | 119.3° | 180.0° |
| P1 | C1 | H9 | H10 | 116.4° | 120.0° |
| P1 | C1 | C2 | H11 | 120.2° | 59.9° |
| P1 | C1 | C2 | H12 | 1.2° | 60.0° |
| C1 | C2 | C3 | H11 | 120.6° | 120.0° |
| C1 | C2 | C3 | H12 | 120.5° | 120.0° |
| C1 | C2 | C3 | C4 | 157.4° | 180.0° |
| C2 | C1 | H9 | H10 | 116.3° | 120.0° |
| C1 | C2 | H11 | H12 | 118.4° | 120.0° |
| C1 | C2 | C3 | H13 | 36.5° | 60.0° |
| C1 | C2 | C3 | H14 | 81.7° | 60.0° |
| C2 | C1 | P1 | F1 | 113.0° | 60.0° |
| C12 | C11 | C10 | C9 | 115.3° | 125.0° |
| C12 | C11 | C10 | H29 | 180.0° | 180.0° |
| C12 | C11 | C10 | H27 | 5.6° | 5.0° |
| C12 | C11 | C10 | H28 | 123.8° | 115.0° |
| C11 | C12 | H30 | H31 | 180.0° | 180.0° |
| C2 | C3 | C4 | H13 | 120.9° | 120.0° |
| C2 | C3 | C4 | H14 | 120.9° | 120.0° |
| C2 | C3 | C4 | C5 | 146.7° | 180.0° |
| C3 | C2 | C1 | H9 | 1.9° | 60.0° |
| C3 | C2 | C1 | H10 | 119.6° | 60.0° |
| C3 | C2 | H11 | H12 | 118.3° | 120.0° |
| C2 | C3 | H13 | H14 | 117.3° | 120.0° |
| C2 | C3 | C4 | H15 | 92.9° | 60.0° |
| C2 | C3 | C4 | H16 | 26.2° | 60.0° |
| C8 | C9 | C10 | H25 | 120.8° | 120.0° |
| C8 | C9 | C10 | H26 | 120.8° | 120.0° |
| C9 | C8 | C7 | H23 | 120.5° | 120.0° |
| C9 | C8 | C7 | H24 | 120.5° | 120.0° |
| C8 | C9 | C10 | C11 | 139.4° | 180.0° |
| C9 | C8 | C7 | C6 | 155.0° | 180.0° |
| C9 | C8 | C7 | H21 | 34.3° | 60.0° |
| C9 | C8 | C7 | H22 | 84.2° | 60.0° |
| C9 | C8 | H23 | H24 | 118.5° | 120.0° |
| C8 | C9 | H25 | H26 | 117.5° | 120.0° |
| C8 | C9 | C10 | H27 | 18.5° | 60.0° |
| C8 | C9 | C10 | H28 | 99.7° | 60.0° |
| C10 | C9 | C8 | C7 | 22.1° | 180.0° |
| C9 | C10 | C11 | H27 | 120.8° | 120.0° |
| C9 | C10 | C11 | H28 | 120.9° | 120.0° |
| C10 | C9 | C8 | H23 | 98.4° | 60.0° |
| C10 | C9 | C8 | H24 | 142.6° | 60.0° |
| C10 | C9 | H25 | H26 | 117.6° | 120.0° |
| C9 | C10 | H27 | H28 | 117.3° | 120.0° |
| C9 | C10 | C11 | H29 | 64.7° | 55.0° |
| C8 | C7 | C6 | H21 | 120.7° | 120.0° |
| C8 | C7 | C6 | H22 | 120.7° | 120.0° |
| C8 | C7 | C6 | C5 | 126.2° | 180.0° |
| C8 | C7 | C6 | H19 | 5.6° | 60.0° |
| C8 | C7 | C6 | H20 | 113.1° | 60.0° |
| C8 | C7 | H21 | H22 | 117.7° | 120.0° |
| C7 | C8 | H23 | H24 | 118.4° | 120.0° |
| C7 | C8 | C9 | H25 | 98.7° | 60.0° |
| C7 | C8 | C9 | H26 | 142.9° | 60.0° |
| C11 | C10 | C9 | H25 | 99.8° | 60.0° |
| C11 | C10 | C9 | H26 | 18.6° | 60.0° |
| C11 | C10 | H27 | H28 | 117.3° | 120.0° |
| C10 | C11 | C12 | H30 | 180.0° | 0.0° |
| C10 | C11 | C12 | H31 | 0.0° | 180.0° |
| C3 | C4 | C5 | H15 | 120.5° | 120.0° |
| C3 | C4 | C5 | H16 | 120.4° | 120.0° |
| C3 | C4 | C5 | C6 | 160.6° | 180.0° |
| C4 | C3 | C2 | H11 | 82.0° | 60.0° |
| C4 | C3 | C2 | H12 | 36.9° | 60.0° |
| C4 | C3 | H13 | H14 | 117.3° | 120.0° |
| C3 | C4 | H15 | H16 | 118.7° | 120.0° |
| C3 | C4 | C5 | H17 | 39.9° | 60.0° |
| C3 | C4 | C5 | H18 | 78.6° | 60.0° |
| C4 | C5 | C6 | C7 | 133.6° | 180.0° |
| C4 | C5 | C6 | H17 | 120.7° | 120.0° |
| C4 | C5 | C6 | H18 | 120.7° | 120.0° |
| C5 | C4 | C3 | H13 | 25.8° | 60.0° |
| C5 | C4 | C3 | H14 | 92.5° | 60.0° |
| C5 | C4 | H15 | H16 | 118.7° | 120.0° |
| C4 | C5 | H17 | H18 | 117.6° | 120.0° |
| C4 | C5 | C6 | H19 | 12.9° | 60.0° |
| C4 | C5 | C6 | H20 | 105.8° | 60.0° |
| C7 | C6 | C5 | H19 | 120.6° | 120.0° |
| C7 | C6 | C5 | H20 | 120.7° | 120.0° |
| C7 | C6 | C5 | H17 | 12.8° | 60.0° |
| C7 | C6 | C5 | H18 | 105.7° | 60.0° |
| C7 | C6 | H19 | H20 | 118.1° | 120.0° |
| C6 | C7 | H21 | H22 | 117.8° | 120.0° |
| C6 | C7 | C8 | H23 | 84.4° | 60.0° |
| C6 | C7 | C8 | H24 | 34.5° | 60.0° |
| C6 | C5 | C4 | H15 | 78.9° | 60.0° |
| C6 | C5 | C4 | H16 | 40.2° | 60.0° |
| C6 | C5 | H17 | H18 | 117.7° | 120.0° |
| C5 | C6 | H19 | H20 | 118.0° | 120.0° |
| C5 | C6 | C7 | H21 | 113.0° | 60.0° |
| C5 | C6 | C7 | H22 | 5.5° | 60.0° |
| H2 | CM | CM2 | H3 | 58.6° | 180.0° |
| H2 | CM | CM2 | H4 | 61.5° | 60.0° |
| H2 | CM | CM2 | H5 | 178.6° | 60.0° |
| H2 | CM | CM1 | H6 | 58.4° | 60.1° |
| H2 | CM | CM1 | H7 | 178.4° | 60.0° |
| H2 | CM | CM1 | H8 | 61.6° | 179.9° |
| H3 | CM2 | H4 | H5 | 120.0° | 120.0° |
| H6 | CM1 | H7 | H8 | 120.0° | 120.0° |
| H9 | C1 | C2 | H11 | 118.7° | 180.0° |
| H9 | C1 | C2 | H12 | 122.4° | 60.0° |
| H9 | C1 | P1 | F1 | 125.8° | 60.0° |
| H10 | C1 | C2 | H11 | 1.0° | 60.0° |
| H10 | C1 | C2 | H12 | 119.9° | 180.0° |
| H10 | C1 | P1 | F1 | 8.1° | 180.0° |
| H11 | C2 | C3 | H13 | 157.1° | 180.0° |
| H11 | C2 | C3 | H14 | 38.8° | 60.0° |
| H12 | C2 | C3 | H13 | 84.0° | 60.0° |
| H12 | C2 | C3 | H14 | 157.8° | 180.0° |
| H13 | C3 | C4 | H15 | 146.2° | 180.0° |
| H13 | C3 | C4 | H16 | 94.6° | 60.0° |
| H14 | C3 | C4 | H15 | 28.0° | 60.0° |
| H14 | C3 | C4 | H16 | 147.1° | 180.0° |
| H15 | C4 | C5 | H17 | 160.3° | 180.0° |
| H15 | C4 | C5 | H18 | 41.8° | 60.0° |
| H16 | C4 | C5 | H17 | 80.6° | 60.0° |
| H16 | C4 | C5 | H18 | 160.9° | 180.0° |
| H17 | C5 | C6 | H19 | 107.8° | NaN° |
| H17 | C5 | C6 | H20 | 133.5° | 60.0° |
| H18 | C5 | C6 | H19 | 133.7° | 60.0° |
| H18 | C5 | C6 | H20 | 15.0° | 180.0° |
| H19 | C6 | C7 | H21 | 126.4° | 180.0° |
| H19 | C6 | C7 | H22 | 115.1° | 60.0° |
| H20 | C6 | C7 | H21 | 7.6° | 60.0° |
| H20 | C6 | C7 | H22 | 126.2° | 180.0° |
| H21 | C7 | C8 | H23 | 154.8° | 180.0° |
| H21 | C7 | C8 | H24 | 86.3° | 60.0° |
| H22 | C7 | C8 | H23 | 36.3° | 59.9° |
| H22 | C7 | C8 | H24 | 155.2° | 180.0° |
| H23 | C8 | C9 | H25 | 140.8° | 180.0° |
| H23 | C8 | C9 | H26 | 22.4° | 60.0° |
| H24 | C8 | C9 | H25 | 21.8° | 60.1° |
| H24 | C8 | C9 | H26 | 96.6° | 180.0° |
| H25 | C9 | C10 | H27 | 139.3° | 180.0° |
| H25 | C9 | C10 | H28 | 21.0° | 60.0° |
| H26 | C9 | C10 | H27 | 102.2° | 59.9° |
| H26 | C9 | C10 | H28 | 139.5° | 180.0° |
| H27 | C10 | C11 | H29 | 174.4° | 175.0° |
| H28 | C10 | C11 | H29 | 56.1° | 65.0° |
| H29 | C11 | C12 | H30 | 0.0° | 180.0° |
| H29 | C11 | C12 | H31 | 180.0° | 0.0° |
