F09
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | OXT | sing | 1.43Å | 1.24Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 112.5° | 109.5° |
| C2 | C1 | H12 | 111.1° | 109.4° |
| C2 | C1 | H13 | 111.1° | 109.4° |
| C1 | C2 | C3 | 112.5° | 109.5° |
| C1 | C2 | H21 | 111.1° | 109.5° |
| C1 | C2 | H22 | 111.1° | 109.5° |
| H11 | C1 | H12 | 111.2° | 109.5° |
| H11 | C1 | H13 | 111.1° | 109.5° |
| H12 | C1 | H13 | 99.2° | 109.5° |
| C3 | C2 | H21 | 111.1° | 109.5° |
| C3 | C2 | H22 | 111.1° | 109.5° |
| C2 | C3 | C4 | 113.0° | 109.5° |
| C2 | C3 | H31 | 111.0° | 109.5° |
| C2 | C3 | H32 | 110.9° | 109.5° |
| H21 | C2 | H22 | 99.2° | 109.4° |
| C4 | C3 | H31 | 110.9° | 109.5° |
| C4 | C3 | H32 | 110.9° | 109.5° |
| C3 | C4 | C5 | 113.4° | 109.5° |
| C3 | C4 | H41 | 110.8° | 109.5° |
| C3 | C4 | H42 | 110.8° | 109.5° |
| H31 | C3 | H32 | 99.4° | 109.5° |
| C5 | C4 | H41 | 110.7° | 109.5° |
| C5 | C4 | H42 | 110.7° | 109.5° |
| C4 | C5 | C6 | 111.6° | 109.5° |
| C4 | C5 | H51 | 111.4° | 109.5° |
| C4 | C5 | H52 | 111.4° | 109.5° |
| H41 | C4 | H42 | 99.6° | 109.5° |
| C6 | C5 | H51 | 111.4° | 109.5° |
| C6 | C5 | H52 | 111.4° | 109.5° |
| C5 | C6 | C7 | 112.7° | 109.5° |
| C5 | C6 | H61 | 111.0° | 109.5° |
| C5 | C6 | H62 | 111.0° | 109.5° |
| H51 | C5 | H52 | 99.0° | 109.5° |
| C7 | C6 | H61 | 111.0° | 109.4° |
| C7 | C6 | H62 | 111.0° | 109.4° |
| C6 | C7 | C8 | 110.1° | 109.5° |
| C6 | C7 | H71 | 112.0° | 109.4° |
| C6 | C7 | H72 | 112.0° | 109.4° |
| H61 | C6 | H62 | 99.3° | 109.5° |
| C8 | C7 | H71 | 112.0° | 109.5° |
| C8 | C7 | H72 | 112.0° | 109.5° |
| C7 | C8 | C9 | 112.8° | 109.5° |
| C7 | C8 | H81 | 111.0° | 109.5° |
| C7 | C8 | H82 | 111.0° | 109.5° |
| H71 | C7 | H72 | 98.4° | 109.4° |
| C9 | C8 | H81 | 111.0° | 109.4° |
| C9 | C8 | H82 | 111.0° | 109.4° |
| C8 | C9 | OXT | 121.4° | 109.5° |
| C8 | C9 | H91 | 107.9° | 109.4° |
| C8 | C9 | H92 | 108.0° | 109.4° |
| H81 | C8 | H82 | 99.3° | 109.5° |
| OXT | C9 | H91 | 108.0° | 109.5° |
| OXT | C9 | H92 | 108.0° | 109.5° |
| C9 | OXT | HXT | 121.4° | 106.8° |
| H91 | C9 | H92 | 101.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H13 | 125.2° | 120.0° |
| C2 | C1 | H12 | H13 | 116.9° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 117.0° | 119.9° |
| C1 | C2 | C3 | C4 | 78.8° | 180.0° |
| C1 | C2 | C3 | H31 | 46.5° | 60.0° |
| C1 | C2 | C3 | H32 | 156.0° | 60.0° |
| H11 | C1 | H12 | H13 | 117.0° | 120.0° |
| H11 | C1 | C2 | C3 | 180.0° | 180.0° |
| H11 | C1 | C2 | H21 | 54.8° | 60.0° |
| H11 | C1 | C2 | H22 | 54.7° | 60.0° |
| H12 | C1 | C2 | C3 | 54.7° | 60.0° |
| H12 | C1 | C2 | H21 | 70.6° | 60.1° |
| H12 | C1 | C2 | H22 | 179.9° | 180.0° |
| H13 | C1 | C2 | C3 | 54.7° | 60.0° |
| H13 | C1 | C2 | H21 | 180.0° | 180.0° |
| H13 | C1 | C2 | H22 | 70.5° | 60.1° |
| C3 | C2 | H21 | H22 | 117.0° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 116.8° | 120.0° |
| C2 | C3 | C4 | C5 | 85.7° | 180.0° |
| C2 | C3 | C4 | H41 | 39.6° | 60.0° |
| C2 | C3 | C4 | H42 | 149.1° | 60.0° |
| H21 | C2 | C3 | C4 | 156.0° | 60.0° |
| H21 | C2 | C3 | H31 | 78.8° | 180.0° |
| H21 | C2 | C3 | H32 | 30.7° | 60.0° |
| H22 | C2 | C3 | C4 | 46.5° | 60.0° |
| H22 | C2 | C3 | H31 | 171.7° | 60.0° |
| H22 | C2 | C3 | H32 | 78.7° | 180.0° |
| C4 | C3 | H31 | H32 | 116.7° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 116.7° | 120.0° |
| C3 | C4 | C5 | C6 | 76.0° | 180.0° |
| C3 | C4 | C5 | H51 | 49.2° | 60.0° |
| C3 | C4 | C5 | H52 | 158.8° | 60.0° |
| H31 | C3 | C4 | C5 | 149.0° | 60.0° |
| H31 | C3 | C4 | H41 | 85.7° | 180.0° |
| H31 | C3 | C4 | H42 | 23.8° | 60.0° |
| H32 | C3 | C4 | C5 | 39.6° | 60.0° |
| H32 | C3 | C4 | H41 | 164.8° | 60.0° |
| H32 | C3 | C4 | H42 | 85.6° | 180.0° |
| C5 | C4 | H41 | H42 | 116.6° | 120.0° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.2° | 120.0° |
| C4 | C5 | H51 | H52 | 117.3° | 120.0° |
| C4 | C5 | C6 | C7 | 174.6° | 180.0° |
| C4 | C5 | C6 | H61 | 49.4° | 60.0° |
| C4 | C5 | C6 | H62 | 60.1° | 60.0° |
| H41 | C4 | C5 | C6 | 158.7° | 60.0° |
| H41 | C4 | C5 | H51 | 76.0° | 180.0° |
| H41 | C4 | C5 | H52 | 33.5° | 60.0° |
| H42 | C4 | C5 | C6 | 49.2° | 60.0° |
| H42 | C4 | C5 | H51 | 174.5° | 60.0° |
| H42 | C4 | C5 | H52 | 76.0° | 180.0° |
| C6 | C5 | H51 | H52 | 117.3° | 120.0° |
| C5 | C6 | C7 | H61 | 125.2° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 117.0° | 120.0° |
| C5 | C6 | C7 | C8 | 178.8° | 180.0° |
| C5 | C6 | C7 | H71 | 53.5° | 59.9° |
| C5 | C6 | C7 | H72 | 55.9° | 60.0° |
| H51 | C5 | C6 | C7 | 60.1° | 60.0° |
| H51 | C5 | C6 | H61 | 174.7° | 180.0° |
| H51 | C5 | C6 | H62 | 65.1° | 60.0° |
| H52 | C5 | C6 | C7 | 49.4° | 60.0° |
| H52 | C5 | C6 | H61 | 75.8° | 60.0° |
| H52 | C5 | C6 | H62 | 174.6° | 180.0° |
| C7 | C6 | H61 | H62 | 116.9° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 117.9° | 119.9° |
| C6 | C7 | C8 | C9 | 179.8° | 180.0° |
| C6 | C7 | C8 | H81 | 55.0° | 60.0° |
| C6 | C7 | C8 | H82 | 54.5° | 60.0° |
| H61 | C6 | C7 | C8 | 55.9° | 60.0° |
| H61 | C6 | C7 | H71 | 178.8° | 179.9° |
| H61 | C6 | C7 | H72 | 69.3° | 60.0° |
| H62 | C6 | C7 | C8 | 53.5° | 60.0° |
| H62 | C6 | C7 | H71 | 71.7° | 60.1° |
| H62 | C6 | C7 | H72 | 178.8° | 180.0° |
| C8 | C7 | H71 | H72 | 117.9° | 120.1° |
| C7 | C8 | C9 | H81 | 125.3° | 120.0° |
| C7 | C8 | C9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 116.9° | 120.0° |
| C7 | C8 | C9 | OXT | 65.5° | 180.0° |
| C7 | C8 | C9 | H91 | 59.8° | 60.0° |
| C7 | C8 | C9 | H92 | 169.2° | 60.0° |
| H71 | C7 | C8 | C9 | 54.5° | 60.0° |
| H71 | C7 | C8 | H81 | 179.7° | 180.0° |
| H71 | C7 | C8 | H82 | 70.8° | 60.0° |
| H72 | C7 | C8 | C9 | 55.0° | 60.0° |
| H72 | C7 | C8 | H81 | 70.3° | 60.0° |
| H72 | C7 | C8 | H82 | 179.7° | 180.0° |
| C9 | C8 | H81 | H82 | 116.8° | 120.0° |
| C8 | C9 | OXT | H91 | 125.3° | 120.0° |
| C8 | C9 | OXT | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 113.5° | 120.0° |
| C8 | C9 | OXT | HXT | 180.0° | 180.0° |
| H81 | C8 | C9 | OXT | 169.2° | 60.0° |
| H81 | C8 | C9 | H91 | 65.5° | 180.0° |
| H81 | C8 | C9 | H92 | 43.9° | 60.0° |
| H82 | C8 | C9 | OXT | 59.8° | 60.0° |
| H82 | C8 | C9 | H91 | 174.9° | 60.0° |
| H82 | C8 | C9 | H92 | 65.5° | 180.0° |
| OXT | C9 | H91 | H92 | 113.6° | 120.0° |
| H91 | C9 | OXT | HXT | 54.7° | 60.0° |
| H92 | C9 | OXT | HXT | 54.7° | 60.0° |
