H0F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C20 | C19 | sing | 1.53Å | 1.51Å | |
C25 | C26 | sing | 1.55Å | 1.52Å | |
C25 | C24 | sing | 1.55Å | 1.52Å | |
C26 | N22 | sing | 1.47Å | 1.46Å | |
C19 | C17 | sing | 1.53Å | 1.53Å | |
C18 | C17 | sing | 1.53Å | 1.53Å | |
C16 | N15 | sing | 1.47Å | 1.47Å | |
C16 | C17 | sing | 1.53Å | 1.54Å | |
C16 | C21 | sing | 1.51Å | 1.52Å | |
C24 | C23 | sing | 1.54Å | 1.51Å | |
N15 | C32 | sing | 1.47Å | 1.46Å | |
N22 | C21 | sing | 1.35Å | 1.34Å | |
N22 | C23 | sing | 1.47Å | 1.48Å | |
C21 | O31 | doub | 1.21Å | 1.24Å | |
C23 | C27 | sing | 1.53Å | 1.53Å | |
C27 | C28 | sing | 1.51Å | 1.51Å | |
C28 | O30 | doub | 1.21Å | 1.23Å | |
C28 | N29 | sing | 1.35Å | 1.34Å | |
C16 | H1 | sing | 1.09Å | 1.10Å | |
C17 | H2 | sing | 1.09Å | 1.10Å | |
C18 | H3 | sing | 1.09Å | 1.10Å | |
C18 | H4 | sing | 1.09Å | 1.10Å | |
C18 | H5 | sing | 1.09Å | 1.10Å | |
N15 | H6 | sing | 1.01Å | 1.00Å | |
C32 | H8 | sing | 1.09Å | 1.10Å | |
C32 | H9 | sing | 1.09Å | 1.10Å | |
C32 | H10 | sing | 1.09Å | 1.10Å | |
C19 | H11 | sing | 1.09Å | 1.10Å | |
C19 | H12 | sing | 1.09Å | 1.10Å | |
C20 | H13 | sing | 1.09Å | 1.10Å | |
C20 | H14 | sing | 1.09Å | 1.10Å | |
C20 | H15 | sing | 1.09Å | 1.10Å | |
C26 | H16 | sing | 1.09Å | 1.10Å | |
C26 | H17 | sing | 1.09Å | 1.10Å | |
C25 | H18 | sing | 1.09Å | 1.10Å | |
C25 | H19 | sing | 1.09Å | 1.10Å | |
C24 | H20 | sing | 1.09Å | 1.10Å | |
C24 | H21 | sing | 1.09Å | 1.10Å | |
C23 | H22 | sing | 1.09Å | 1.10Å | |
C27 | H23 | sing | 1.09Å | 1.10Å | |
C27 | H24 | sing | 1.09Å | 1.10Å | |
N29 | H25 | sing | 0.97Å | 1.00Å | |
N29 | H26 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C20 | C19 | C17 | 113.3° | 109.5° |
C20 | C19 | H11 | 108.5° | 109.5° |
C20 | C19 | H12 | 108.5° | 109.5° |
C19 | C20 | H13 | 109.5° | 109.4° |
C19 | C20 | H14 | 109.4° | 109.4° |
C19 | C20 | H15 | 109.5° | 109.5° |
C26 | C25 | C24 | 107.1° | 101.6° |
C25 | C26 | N22 | 105.3° | 104.8° |
C25 | C26 | H16 | 110.5° | 110.4° |
C25 | C26 | H17 | 110.5° | 110.5° |
C26 | C25 | H18 | 110.1° | 111.0° |
C26 | C25 | H19 | 110.1° | 111.0° |
C25 | C24 | C23 | 105.9° | 103.0° |
C24 | C25 | H18 | 110.1° | 111.0° |
C24 | C25 | H19 | 110.1° | 111.1° |
C25 | C24 | H20 | 110.3° | 110.7° |
C25 | C24 | H21 | 110.4° | 110.7° |
C26 | N22 | C21 | 127.8° | 125.6° |
C26 | N22 | C23 | 111.7° | 108.7° |
N22 | C26 | H16 | 110.5° | 110.4° |
N22 | C26 | H17 | 110.5° | 110.3° |
C19 | C17 | C18 | 110.4° | 109.5° |
C19 | C17 | C16 | 115.2° | 109.5° |
C19 | C17 | H2 | 106.9° | 109.4° |
C17 | C19 | H11 | 108.5° | 109.4° |
C17 | C19 | H12 | 108.5° | 109.5° |
C18 | C17 | C16 | 110.2° | 109.5° |
C18 | C17 | H2 | 106.8° | 109.5° |
C17 | C18 | H3 | 109.5° | 109.5° |
C17 | C18 | H4 | 109.4° | 109.5° |
C17 | C18 | H5 | 109.5° | 109.5° |
N15 | C16 | C17 | 112.7° | 109.5° |
N15 | C16 | C21 | 110.9° | 109.4° |
C16 | N15 | C32 | 118.3° | 111.0° |
N15 | C16 | H1 | 108.4° | 109.4° |
C16 | N15 | H6 | 107.2° | 111.0° |
C17 | C16 | C21 | 109.2° | 109.5° |
C17 | C16 | H1 | 107.6° | 109.5° |
C16 | C17 | H2 | 106.8° | 109.5° |
C16 | C21 | N22 | 119.0° | 120.0° |
C16 | C21 | O31 | 119.1° | 120.0° |
C21 | C16 | H1 | 107.9° | 109.4° |
C24 | C23 | N22 | 105.6° | 107.3° |
C24 | C23 | C27 | 110.2° | 110.0° |
C23 | C24 | H20 | 110.4° | 110.9° |
C23 | C24 | H21 | 110.4° | 110.5° |
C24 | C23 | H22 | 109.8° | 109.8° |
C32 | N15 | H6 | 107.2° | 111.0° |
N15 | C32 | H8 | 109.5° | 109.5° |
N15 | C32 | H9 | 109.4° | 109.4° |
N15 | C32 | H10 | 109.5° | 109.5° |
C21 | N22 | C23 | 120.4° | 125.7° |
N22 | C21 | O31 | 121.9° | 120.0° |
N22 | C23 | C27 | 111.4° | 109.8° |
N22 | C23 | H22 | 110.2° | 109.9° |
C23 | C27 | C28 | 111.1° | 109.5° |
C27 | C23 | H22 | 109.5° | 110.0° |
C23 | C27 | H23 | 109.1° | 109.4° |
C23 | C27 | H24 | 109.1° | 109.5° |
C27 | C28 | O30 | 117.9° | 120.0° |
C27 | C28 | N29 | 120.1° | 120.0° |
C28 | C27 | H23 | 109.1° | 109.5° |
C28 | C27 | H24 | 109.1° | 109.5° |
O30 | C28 | N29 | 121.9° | 119.9° |
C28 | N29 | H25 | 120.0° | 120.0° |
C28 | N29 | H26 | 120.0° | 120.0° |
H3 | C18 | H4 | 109.5° | 109.4° |
H3 | C18 | H5 | 109.5° | 109.4° |
H4 | C18 | H5 | 109.5° | 109.4° |
H8 | C32 | H9 | 109.5° | 109.4° |
H8 | C32 | H10 | 109.4° | 109.5° |
H9 | C32 | H10 | 109.5° | 109.5° |
H11 | C19 | H12 | 109.5° | 109.5° |
H13 | C20 | H14 | 109.4° | 109.4° |
H13 | C20 | H15 | 109.5° | 109.5° |
H14 | C20 | H15 | 109.5° | 109.5° |
H16 | C26 | H17 | 109.5° | 110.3° |
H18 | C25 | H19 | 109.5° | 110.9° |
H20 | C24 | H21 | 109.5° | 110.8° |
H23 | C27 | H24 | 109.5° | 109.5° |
H25 | N29 | H26 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C20 | C19 | C17 | H11 | 120.5° | 120.0° |
C20 | C19 | C17 | H12 | 120.6° | 120.0° |
C20 | C19 | C17 | C18 | 66.2° | 65.0° |
C20 | C19 | C17 | C16 | 59.5° | 175.0° |
C20 | C19 | C17 | H2 | 178.0° | 55.0° |
C20 | C19 | H11 | H12 | 118.2° | 120.0° |
C19 | C20 | H13 | H14 | 120.0° | 119.9° |
C19 | C20 | H13 | H15 | 120.0° | 120.0° |
C19 | C20 | H14 | H15 | 120.0° | 120.0° |
C26 | C25 | C24 | H18 | 119.6° | 118.1° |
C26 | C25 | C24 | H19 | 119.6° | 118.1° |
C25 | C26 | N22 | H16 | 119.3° | 118.8° |
C25 | C26 | N22 | H17 | 119.3° | 119.0° |
C26 | C25 | C24 | C23 | 21.6° | 35.3° |
C25 | C26 | N22 | C21 | 175.8° | 155.9° |
C25 | C26 | N22 | C23 | 5.8° | 24.3° |
C25 | C26 | H16 | H17 | 121.9° | 122.4° |
C26 | C25 | H18 | H19 | 121.1° | 123.8° |
C26 | C25 | C24 | H20 | 97.8° | 153.9° |
C26 | C25 | C24 | H21 | 141.1° | 82.9° |
C24 | C25 | C26 | N22 | 16.9° | 37.0° |
C25 | C24 | C23 | H20 | 119.4° | 118.5° |
C25 | C24 | C23 | H21 | 119.5° | 118.3° |
C25 | C24 | C23 | N22 | 17.7° | 21.9° |
C25 | C24 | C23 | C27 | 102.7° | 141.3° |
C24 | C25 | C26 | H16 | 136.3° | 155.8° |
C24 | C25 | C26 | H17 | 102.4° | 81.9° |
C24 | C25 | H18 | H19 | 121.1° | 124.0° |
C25 | C24 | H20 | H21 | 121.7° | 123.2° |
C25 | C24 | C23 | H22 | 136.5° | 97.5° |
C26 | N22 | C21 | C16 | 1.3° | 4.8° |
C26 | N22 | C23 | C24 | 7.5° | 1.4° |
C26 | N22 | C21 | C23 | 178.2° | 179.8° |
C26 | N22 | C21 | O31 | 179.3° | 175.2° |
C26 | N22 | C23 | C27 | 112.1° | 118.1° |
N22 | C26 | H16 | H17 | 121.9° | 122.2° |
N22 | C26 | C25 | H18 | 136.5° | 81.1° |
N22 | C26 | C25 | H19 | 102.7° | 155.1° |
C26 | N22 | C23 | H22 | 126.1° | 120.7° |
C19 | C17 | C18 | C16 | 128.4° | 120.0° |
C19 | C17 | C18 | H2 | 115.9° | 119.9° |
C19 | C17 | C16 | N15 | 47.8° | 57.4° |
C19 | C17 | C16 | H2 | 118.6° | 119.9° |
C19 | C17 | C16 | C21 | 171.5° | 177.4° |
C19 | C17 | C16 | H1 | 71.6° | 62.6° |
C19 | C17 | C18 | H3 | 180.0° | 66.1° |
C19 | C17 | C18 | H4 | 60.0° | 54.0° |
C19 | C17 | C18 | H5 | 60.0° | 174.0° |
C17 | C19 | H11 | H12 | 118.3° | 120.0° |
C17 | C19 | C20 | H13 | 180.0° | 60.0° |
C17 | C19 | C20 | H14 | 60.0° | 59.9° |
C17 | C19 | C20 | H15 | 60.0° | 180.0° |
C18 | C17 | C16 | N15 | 173.5° | 177.4° |
C18 | C17 | C16 | H2 | 115.7° | 120.1° |
C18 | C17 | C16 | C21 | 62.8° | 62.5° |
C18 | C17 | C16 | H1 | 54.1° | 57.4° |
C17 | C18 | H3 | H4 | 120.0° | 120.1° |
C17 | C18 | H3 | H5 | 120.0° | 120.0° |
C17 | C18 | H4 | H5 | 120.0° | 120.1° |
C18 | C17 | C19 | H11 | 54.4° | 55.0° |
C18 | C17 | C19 | H12 | 173.3° | 175.0° |
N15 | C16 | C17 | C21 | 123.8° | 120.0° |
N15 | C16 | C17 | H1 | 119.4° | 120.0° |
N15 | C16 | C21 | H1 | 118.6° | 119.9° |
C16 | N15 | C32 | H6 | 121.3° | 124.0° |
N15 | C16 | C21 | N22 | 122.4° | 146.5° |
N15 | C16 | C21 | O31 | 59.4° | 33.5° |
N15 | C16 | C17 | H2 | 70.8° | 62.5° |
C16 | N15 | C32 | H8 | 180.0° | 58.7° |
C16 | N15 | C32 | H9 | 60.0° | 61.2° |
C16 | N15 | C32 | H10 | 60.0° | 178.8° |
C17 | C16 | C21 | H1 | 116.7° | 120.0° |
C17 | C16 | N15 | C32 | 50.7° | 53.0° |
C17 | C16 | C21 | N22 | 112.8° | 93.4° |
C17 | C16 | C21 | O31 | 65.4° | 86.6° |
C16 | C17 | C18 | H3 | 51.6° | 53.9° |
C16 | C17 | C18 | H4 | 68.4° | 174.0° |
C16 | C17 | C18 | H5 | 171.6° | 66.0° |
C17 | C16 | N15 | H6 | 70.6° | 70.9° |
C16 | C17 | C19 | H11 | 180.0° | 65.0° |
C16 | C17 | C19 | H12 | 61.1° | 55.0° |
C21 | C16 | N15 | C32 | 72.1° | 67.0° |
C16 | C21 | N22 | O31 | 178.1° | 180.0° |
C16 | C21 | N22 | C23 | 179.5° | 175.5° |
C21 | C16 | C17 | H2 | 52.9° | 57.5° |
C21 | C16 | N15 | H6 | 166.6° | 169.0° |
C24 | C23 | N22 | C21 | 171.0° | 178.8° |
C24 | C23 | N22 | C27 | 119.6° | 119.5° |
C24 | C23 | N22 | H22 | 118.5° | 119.3° |
C24 | C23 | C27 | H22 | 120.9° | 121.0° |
C24 | C23 | C27 | C28 | 82.1° | 158.8° |
C23 | C24 | C25 | H18 | 141.3° | 82.8° |
C23 | C24 | C25 | H19 | 98.0° | 153.4° |
C23 | C24 | H20 | H21 | 121.7° | 123.1° |
C24 | C23 | C27 | H23 | 38.2° | 38.8° |
C24 | C23 | C27 | H24 | 157.7° | 81.2° |
C32 | N15 | C16 | H1 | 169.6° | 173.0° |
N15 | C32 | H8 | H9 | 120.0° | 119.9° |
N15 | C32 | H8 | H10 | 120.0° | 120.1° |
N15 | C32 | H9 | H10 | 120.0° | 120.0° |
C21 | N22 | C23 | C27 | 69.4° | 61.6° |
N22 | C21 | C16 | H1 | 3.9° | 26.6° |
C21 | N22 | C26 | H16 | 56.5° | 37.1° |
C21 | N22 | C26 | H17 | 64.9° | 85.1° |
C21 | N22 | C23 | H22 | 52.4° | 59.5° |
C23 | N22 | C21 | O31 | 2.4° | 4.5° |
N22 | C23 | C27 | H22 | 122.2° | 121.1° |
N22 | C23 | C27 | C28 | 161.1° | 83.4° |
C23 | N22 | C26 | H16 | 125.2° | 143.2° |
C23 | N22 | C26 | H17 | 113.5° | 94.7° |
N22 | C23 | C24 | H20 | 101.7° | 140.4° |
N22 | C23 | C24 | H21 | 137.2° | 96.4° |
N22 | C23 | C27 | H23 | 78.7° | 156.7° |
N22 | C23 | C27 | H24 | 40.8° | 36.7° |
O31 | C21 | C16 | H1 | 178.0° | 153.4° |
C23 | C27 | C28 | H23 | 120.2° | 120.0° |
C23 | C27 | C28 | H24 | 120.2° | 120.0° |
C23 | C27 | C28 | O30 | 127.9° | 13.4° |
C23 | C27 | C28 | N29 | 53.5° | 166.6° |
C27 | C23 | C24 | H20 | 137.8° | 100.2° |
C27 | C23 | C24 | H21 | 16.7° | 23.0° |
C23 | C27 | H23 | H24 | 119.2° | 120.0° |
C27 | C28 | O30 | N29 | 178.6° | 180.0° |
C28 | C27 | C23 | H22 | 38.8° | 37.7° |
C28 | C27 | H23 | H24 | 119.3° | 120.0° |
C27 | C28 | N29 | H25 | 178.6° | 0.0° |
C27 | C28 | N29 | H26 | 1.5° | 180.0° |
O30 | C28 | C27 | H23 | 7.7° | 106.6° |
O30 | C28 | C27 | H24 | 111.9° | 133.4° |
O30 | C28 | N29 | H25 | 0.0° | 180.0° |
O30 | C28 | N29 | H26 | 180.0° | 0.1° |
N29 | C28 | C27 | H23 | 173.7° | 73.5° |
N29 | C28 | C27 | H24 | 66.8° | 46.6° |
C28 | N29 | H25 | H26 | 180.0° | 179.9° |
H1 | C16 | C17 | H2 | 169.8° | 177.5° |
H1 | C16 | N15 | H6 | 48.4° | 49.1° |
H2 | C17 | C18 | H3 | 64.1° | 174.0° |
H2 | C17 | C18 | H4 | 175.9° | 66.0° |
H2 | C17 | C18 | H5 | 56.0° | 54.0° |
H2 | C17 | C19 | H11 | 61.5° | 175.0° |
H2 | C17 | C19 | H12 | 57.4° | 65.0° |
H3 | C18 | H4 | H5 | 120.0° | 119.9° |
H6 | N15 | C32 | H8 | 58.7° | 177.3° |
H6 | N15 | C32 | H9 | 178.7° | 62.8° |
H6 | N15 | C32 | H10 | 61.3° | 57.2° |
H8 | C32 | H9 | H10 | 120.0° | 120.1° |
H11 | C19 | C20 | H13 | 59.4° | 180.0° |
H11 | C19 | C20 | H14 | 60.5° | 60.0° |
H11 | C19 | C20 | H15 | 179.4° | 60.0° |
H12 | C19 | C20 | H13 | 59.4° | 60.0° |
H12 | C19 | C20 | H14 | 179.4° | 179.9° |
H12 | C19 | C20 | H15 | 60.6° | 60.0° |
H13 | C20 | H14 | H15 | 120.0° | 120.0° |
H16 | C26 | C25 | H18 | 104.1° | 37.7° |
H16 | C26 | C25 | H19 | 16.7° | 86.1° |
H17 | C26 | C25 | H18 | 17.2° | 160.1° |
H17 | C26 | C25 | H19 | 138.0° | 36.2° |
H18 | C25 | C24 | H20 | 21.8° | 35.8° |
H18 | C25 | C24 | H21 | 99.3° | 159.1° |
H19 | C25 | C24 | H20 | 142.6° | 88.1° |
H19 | C25 | C24 | H21 | 21.4° | 35.2° |
H20 | C24 | C23 | H22 | 17.1° | 21.0° |
H21 | C24 | C23 | H22 | 104.0° | 144.2° |
H22 | C23 | C27 | H23 | 159.1° | 82.3° |
H22 | C23 | C27 | H24 | 81.4° | 157.7° |