FUF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C1 | O5 | sing | 1.43Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | F2 | sing | 1.40Å | 1.43Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C6 | H63 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.99Å | |
O3 | HO3 | sing | 0.97Å | 0.99Å | |
O4 | HO4 | sing | 0.97Å | 0.99Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 112.1° | 109.4° |
C2 | C1 | O5 | 107.6° | 109.8° |
C2 | C1 | H1 | 109.6° | 109.4° |
C1 | C2 | C3 | 108.8° | 109.0° |
C1 | C2 | F2 | 110.2° | 109.6° |
C1 | C2 | H2 | 109.7° | 109.5° |
O1 | C1 | O5 | 111.2° | 109.4° |
O1 | C1 | H1 | 105.9° | 109.4° |
C1 | O1 | HO1 | 109.5° | 106.8° |
O5 | C1 | H1 | 110.5° | 109.4° |
C1 | O5 | C5 | 114.6° | 107.7° |
C3 | C2 | F2 | 110.2° | 109.7° |
C3 | C2 | H2 | 109.6° | 109.6° |
C2 | C3 | C4 | 108.9° | 108.6° |
C2 | C3 | O3 | 110.9° | 109.6° |
C2 | C3 | H3 | 108.6° | 109.6° |
F2 | C2 | H2 | 108.3° | 109.5° |
C4 | C3 | O3 | 108.4° | 109.7° |
C4 | C3 | H3 | 111.0° | 109.7° |
C3 | C4 | C5 | 107.7° | 109.0° |
C3 | C4 | O4 | 110.5° | 109.6° |
C3 | C4 | H4 | 110.1° | 109.5° |
O3 | C3 | H3 | 109.0° | 109.6° |
C3 | O3 | HO3 | 109.5° | 106.8° |
C5 | C4 | O4 | 109.9° | 109.7° |
C5 | C4 | H4 | 110.7° | 109.4° |
C4 | C5 | C6 | 113.6° | 109.5° |
C4 | C5 | O5 | 110.8° | 109.8° |
C4 | C5 | H5 | 105.2° | 109.4° |
O4 | C4 | H4 | 108.0° | 109.5° |
C4 | O4 | HO4 | 109.5° | 106.8° |
C6 | C5 | O5 | 108.2° | 109.5° |
C6 | C5 | H5 | 108.0° | 109.4° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 109.4° | 109.4° |
C5 | C6 | H63 | 109.5° | 109.5° |
O5 | C5 | H5 | 111.0° | 109.3° |
H61 | C6 | H62 | 109.5° | 109.5° |
H61 | C6 | H63 | 109.5° | 109.5° |
H62 | C6 | H63 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 120.5° | 120.3° |
C2 | C1 | O1 | H1 | 119.5° | 119.8° |
C2 | C1 | O5 | H1 | 119.6° | 120.1° |
C1 | C2 | C3 | F2 | 120.9° | 120.0° |
C1 | C2 | C3 | H2 | 120.0° | 119.8° |
C1 | C2 | F2 | H2 | 120.0° | 120.1° |
C1 | C2 | C3 | C4 | 59.8° | 53.8° |
C1 | C2 | C3 | O3 | 179.0° | 173.6° |
C1 | C2 | C3 | H3 | 61.2° | 66.1° |
C2 | C1 | O5 | C5 | 62.2° | 67.5° |
C2 | C1 | O1 | HO1 | 86.8° | 179.7° |
O1 | C1 | O5 | H1 | 117.3° | 119.9° |
O1 | C1 | C2 | C3 | 177.3° | 178.7° |
O1 | C1 | C2 | F2 | 56.3° | 58.7° |
O1 | C1 | C2 | H2 | 62.8° | 61.4° |
O1 | C1 | O5 | C5 | 174.7° | 172.4° |
O5 | C1 | C2 | C3 | 60.1° | 61.2° |
O5 | C1 | C2 | F2 | 178.9° | 178.8° |
O5 | C1 | C2 | H2 | 59.8° | 58.6° |
C1 | O5 | C5 | C4 | 61.3° | 67.6° |
C1 | O5 | C5 | C6 | 173.5° | 172.3° |
C1 | O5 | C5 | H5 | 55.2° | 52.5° |
O5 | C1 | O1 | HO1 | 33.7° | 60.0° |
H1 | C1 | C2 | C3 | 60.0° | 58.9° |
H1 | C1 | C2 | F2 | 60.9° | 61.2° |
H1 | C1 | C2 | H2 | 180.0° | 178.7° |
H1 | C1 | O5 | C5 | 57.4° | 52.6° |
H1 | C1 | O1 | HO1 | 153.7° | 59.9° |
C3 | C2 | F2 | H2 | 119.9° | 120.2° |
C2 | C3 | C4 | O3 | 120.7° | 119.8° |
C2 | C3 | C4 | H3 | 119.5° | 119.7° |
C2 | C3 | O3 | H3 | 119.5° | 120.3° |
C2 | C3 | C4 | C5 | 56.5° | 53.8° |
C2 | C3 | C4 | O4 | 63.5° | 66.3° |
C2 | C3 | C4 | H4 | 177.4° | 173.5° |
C2 | C3 | O3 | HO3 | 57.4° | 60.0° |
F2 | C2 | C3 | C4 | 179.3° | 173.7° |
F2 | C2 | C3 | O3 | 60.1° | 66.4° |
F2 | C2 | C3 | H3 | 59.7° | 53.9° |
H2 | C2 | C3 | C4 | 60.1° | 66.1° |
H2 | C2 | C3 | O3 | 59.1° | 53.8° |
H2 | C2 | C3 | H3 | 178.8° | 174.1° |
C4 | C3 | O3 | H3 | 121.0° | 120.6° |
C3 | C4 | C5 | O4 | 120.4° | 120.1° |
C3 | C4 | C5 | H4 | 120.4° | 119.8° |
C3 | C4 | O4 | H4 | 120.4° | 120.2° |
C3 | C4 | C5 | C6 | 178.1° | 178.5° |
C3 | C4 | C5 | O5 | 56.0° | 61.3° |
C3 | C4 | C5 | H5 | 64.0° | 58.6° |
C4 | C3 | O3 | HO3 | 62.0° | 179.1° |
C3 | C4 | O4 | HO4 | 171.3° | 60.0° |
O3 | C3 | C4 | C5 | 177.2° | 173.6° |
O3 | C3 | C4 | O4 | 57.2° | 53.5° |
O3 | C3 | C4 | H4 | 61.9° | 66.7° |
H3 | C3 | C4 | C5 | 63.0° | 65.9° |
H3 | C3 | C4 | O4 | 177.0° | 174.0° |
H3 | C3 | C4 | H4 | 57.8° | 53.8° |
H3 | C3 | O3 | HO3 | 177.0° | 60.3° |
C5 | C4 | O4 | H4 | 120.8° | 120.1° |
C4 | C5 | C6 | O5 | 123.5° | 120.3° |
C4 | C5 | C6 | H5 | 116.3° | 119.9° |
C4 | C5 | O5 | H5 | 116.5° | 120.0° |
C4 | C5 | C6 | H61 | 88.6° | 179.9° |
C4 | C5 | C6 | H62 | 31.4° | 60.1° |
C4 | C5 | C6 | H63 | 151.4° | 59.8° |
C5 | C4 | O4 | HO4 | 69.9° | 179.7° |
O4 | C4 | C5 | C6 | 57.6° | 61.4° |
O4 | C4 | C5 | O5 | 64.4° | 58.7° |
O4 | C4 | C5 | H5 | 175.6° | 178.7° |
H4 | C4 | C5 | C6 | 61.5° | 58.7° |
H4 | C4 | C5 | O5 | 176.4° | 178.9° |
H4 | C4 | C5 | H5 | 56.4° | 61.2° |
H4 | C4 | O4 | HO4 | 50.9° | 60.2° |
C6 | C5 | O5 | H5 | 118.3° | 119.8° |
C5 | C6 | H61 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H63 | 120.0° | 120.0° |
C5 | C6 | H62 | H63 | 120.0° | 119.9° |
O5 | C5 | C6 | H61 | 34.9° | 59.8° |
O5 | C5 | C6 | H62 | 154.9° | 60.3° |
O5 | C5 | C6 | H63 | 85.1° | 179.8° |
H5 | C5 | C6 | H61 | 155.1° | 60.0° |
H5 | C5 | C6 | H62 | 84.9° | 180.0° |
H5 | C5 | C6 | H63 | 35.1° | 60.1° |
H61 | C6 | H62 | H63 | 120.0° | 120.0° |