HFP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O1P | doub | 1.48Å | 1.45Å | |
P | O2P | sing | 1.61Å | 1.56Å | |
P | O3P | sing | 1.61Å | 1.54Å | |
P | C1 | sing | 1.82Å | 1.84Å | |
O2P | HO2 | sing | 0.97Å | 0.95Å | |
O3P | HO3 | sing | 0.97Å | 0.95Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | C3 | sing | 1.53Å | 1.34Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.51Å | |
C3 | C5 | sing | 1.53Å | 1.52Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | H41 | sing | 1.09Å | 1.12Å | |
C4 | H42 | sing | 1.09Å | 1.11Å | |
C4 | H43 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.53Å | 1.56Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
C6 | C7 | sing | 1.53Å | 1.52Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
C7 | C8 | sing | 1.53Å | 1.35Å | |
C7 | H71 | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.09Å | 1.11Å | |
C8 | C9 | sing | 1.53Å | 1.51Å | |
C8 | C10 | sing | 1.53Å | 1.52Å | |
C8 | H8 | sing | 1.09Å | 1.12Å | |
C9 | H91 | sing | 1.09Å | 1.11Å | |
C9 | H92 | sing | 1.09Å | 1.11Å | |
C9 | H93 | sing | 1.09Å | 1.11Å | |
C10 | C11 | sing | 1.53Å | 1.51Å | |
C10 | H101 | sing | 1.09Å | 1.12Å | |
C10 | H102 | sing | 1.09Å | 1.12Å | |
C11 | C12 | sing | 1.53Å | 1.52Å | |
C11 | H111 | sing | 1.09Å | 1.11Å | |
C11 | H112 | sing | 1.09Å | 1.11Å | |
C12 | C13 | sing | 1.53Å | 1.36Å | |
C12 | H121 | sing | 1.09Å | 1.12Å | |
C12 | H122 | sing | 1.09Å | 1.11Å | |
C13 | C14 | sing | 1.53Å | 1.51Å | |
C13 | C15 | sing | 1.53Å | 1.52Å | |
C13 | H13 | sing | 1.09Å | 1.11Å | |
C14 | H141 | sing | 1.09Å | 1.12Å | |
C14 | H142 | sing | 1.09Å | 1.11Å | |
C14 | H143 | sing | 1.09Å | 1.11Å | |
C15 | H151 | sing | 1.09Å | 1.12Å | |
C15 | H152 | sing | 1.09Å | 1.12Å | |
C15 | H153 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 112.5° | 109.4° |
O1P | P | O3P | 112.0° | 109.5° |
O1P | P | C1 | 107.9° | 109.5° |
O2P | P | O3P | 108.9° | 109.5° |
O2P | P | C1 | 107.7° | 109.5° |
P | O2P | HO2 | 112.5° | 106.8° |
O3P | P | C1 | 107.6° | 109.5° |
P | O3P | HO3 | 112.0° | 106.8° |
P | C1 | O1 | 109.2° | 109.5° |
P | C1 | C2 | 109.4° | 109.5° |
P | C1 | H1 | 109.5° | 109.5° |
O1 | C1 | C2 | 109.0° | 109.5° |
O1 | C1 | H1 | 110.0° | 109.5° |
C1 | O1 | HO1 | 109.2° | 106.7° |
C2 | C1 | H1 | 109.7° | 109.4° |
C1 | C2 | C3 | 122.8° | 109.5° |
C1 | C2 | H21 | 107.5° | 109.4° |
C1 | C2 | H22 | 107.5° | 109.4° |
C3 | C2 | H21 | 107.4° | 109.5° |
C3 | C2 | H22 | 107.4° | 109.5° |
C2 | C3 | C4 | 120.5° | 109.5° |
C2 | C3 | C5 | 120.4° | 109.5° |
C2 | C3 | H3 | 27.5° | 109.5° |
H21 | C2 | H22 | 102.4° | 109.5° |
C4 | C3 | C5 | 119.1° | 109.5° |
C4 | C3 | H3 | 114.4° | 109.4° |
C3 | C4 | H41 | 120.5° | 109.4° |
C3 | C4 | H42 | 108.3° | 109.5° |
C3 | C4 | H43 | 108.3° | 109.5° |
C5 | C3 | H3 | 119.4° | 109.5° |
C3 | C5 | C6 | 111.7° | 109.5° |
C3 | C5 | H51 | 111.4° | 109.5° |
C3 | C5 | H52 | 111.4° | 109.5° |
H41 | C4 | H42 | 108.2° | 109.5° |
H41 | C4 | H43 | 108.2° | 109.4° |
H42 | C4 | H43 | 101.7° | 109.5° |
C6 | C5 | H51 | 111.4° | 109.5° |
C6 | C5 | H52 | 111.4° | 109.5° |
C5 | C6 | C7 | 110.3° | 109.5° |
C5 | C6 | H61 | 111.9° | 109.5° |
C5 | C6 | H62 | 111.9° | 109.5° |
H51 | C5 | H52 | 98.9° | 109.4° |
C7 | C6 | H61 | 111.9° | 109.4° |
C7 | C6 | H62 | 111.9° | 109.5° |
C6 | C7 | C8 | 122.2° | 109.6° |
C6 | C7 | H71 | 107.7° | 109.4° |
C6 | C7 | H72 | 107.7° | 109.5° |
H61 | C6 | H62 | 98.5° | 109.4° |
C8 | C7 | H71 | 107.7° | 109.4° |
C8 | C7 | H72 | 107.7° | 109.5° |
C7 | C8 | C9 | 120.0° | 109.5° |
C7 | C8 | C10 | 121.3° | 109.5° |
C7 | C8 | H8 | 43.2° | 109.4° |
H71 | C7 | H72 | 102.1° | 109.4° |
C9 | C8 | C10 | 118.7° | 109.6° |
C9 | C8 | H8 | 135.7° | 109.5° |
C8 | C9 | H91 | 120.0° | 109.5° |
C8 | C9 | H92 | 108.4° | 109.6° |
C8 | C9 | H93 | 108.4° | 109.5° |
C10 | C8 | H8 | 92.3° | 109.4° |
C8 | C10 | C11 | 111.5° | 109.5° |
C8 | C10 | H101 | 111.5° | 109.4° |
C8 | C10 | H102 | 111.5° | 109.5° |
H91 | C9 | H92 | 108.5° | 109.4° |
H91 | C9 | H93 | 108.4° | 109.4° |
H92 | C9 | H93 | 101.6° | 109.5° |
C11 | C10 | H101 | 111.4° | 109.4° |
C11 | C10 | H102 | 111.4° | 109.5° |
C10 | C11 | C12 | 109.5° | 109.5° |
C10 | C11 | H111 | 112.2° | 109.4° |
C10 | C11 | H112 | 112.2° | 109.5° |
H101 | C10 | H102 | 98.9° | 109.4° |
C12 | C11 | H111 | 112.2° | 109.4° |
C12 | C11 | H112 | 112.2° | 109.5° |
C11 | C12 | C13 | 123.0° | 109.5° |
C11 | C12 | H121 | 107.5° | 109.4° |
C11 | C12 | H122 | 107.4° | 109.6° |
H111 | C11 | H112 | 98.3° | 109.4° |
C13 | C12 | H121 | 107.4° | 109.4° |
C13 | C12 | H122 | 107.4° | 109.5° |
C12 | C13 | C14 | 121.5° | 109.5° |
C12 | C13 | C15 | 120.8° | 109.5° |
C12 | C13 | H13 | 19.1° | 109.4° |
H121 | C12 | H122 | 102.4° | 109.4° |
C14 | C13 | C15 | 117.7° | 109.5° |
C14 | C13 | H13 | 110.8° | 109.5° |
C13 | C14 | H141 | 121.5° | 109.5° |
C13 | C14 | H142 | 107.9° | 109.5° |
C13 | C14 | H143 | 107.9° | 109.5° |
C15 | C13 | H13 | 128.7° | 109.4° |
C13 | C15 | H151 | 120.8° | 109.4° |
C13 | C15 | H152 | 108.2° | 109.5° |
C13 | C15 | H153 | 108.2° | 109.5° |
H141 | C14 | H142 | 107.9° | 109.5° |
H141 | C14 | H143 | 107.9° | 109.4° |
H142 | C14 | H143 | 102.0° | 109.4° |
H151 | C15 | H152 | 108.1° | 109.4° |
H151 | C15 | H153 | 108.1° | 109.4° |
H152 | C15 | H153 | 101.8° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | O3P | 124.8° | 120.0° |
O1P | P | O2P | C1 | 118.8° | 120.0° |
O1P | P | O3P | C1 | 118.4° | 120.0° |
O1P | P | O2P | HO2 | 179.9° | 60.0° |
O1P | P | O3P | HO3 | 179.9° | 180.0° |
O1P | P | C1 | O1 | 35.3° | 179.9° |
O1P | P | C1 | C2 | 154.6° | 60.0° |
O1P | P | C1 | H1 | 85.1° | 59.9° |
O2P | P | O3P | C1 | 116.5° | 120.0° |
O2P | P | O3P | HO3 | 55.0° | 60.1° |
O2P | P | C1 | O1 | 157.1° | 60.0° |
O2P | P | C1 | C2 | 83.7° | 179.9° |
O2P | P | C1 | H1 | 36.6° | 60.0° |
O3P | P | O2P | HO2 | 55.3° | 60.0° |
O3P | P | C1 | O1 | 85.7° | 60.0° |
O3P | P | C1 | C2 | 33.5° | 60.0° |
O3P | P | C1 | H1 | 153.8° | 180.0° |
C1 | P | O2P | HO2 | 61.1° | 180.0° |
C1 | P | O3P | HO3 | 61.5° | 60.0° |
P | C1 | O1 | C2 | 119.5° | 120.0° |
P | C1 | O1 | H1 | 120.2° | 120.0° |
P | C1 | C2 | H1 | 120.2° | 120.0° |
P | C1 | O1 | HO1 | 180.0° | 60.0° |
P | C1 | C2 | C3 | 140.3° | 175.0° |
P | C1 | C2 | H21 | 15.1° | 64.9° |
P | C1 | C2 | H22 | 94.5° | 55.0° |
O1 | C1 | C2 | H1 | 120.4° | 120.0° |
O1 | C1 | C2 | C3 | 100.3° | 64.9° |
O1 | C1 | C2 | H21 | 134.5° | 55.1° |
O1 | C1 | C2 | H22 | 24.9° | 175.1° |
C2 | C1 | O1 | HO1 | 60.5° | 60.0° |
C1 | C2 | C3 | H21 | 125.3° | 120.0° |
C1 | C2 | C3 | H22 | 125.3° | 120.0° |
C1 | C2 | H21 | H22 | 113.0° | 119.9° |
C1 | C2 | C3 | C4 | 0.5° | 174.1° |
C1 | C2 | C3 | C5 | 180.0° | 65.9° |
C1 | C2 | C3 | H3 | 84.0° | 54.1° |
H1 | C1 | O1 | HO1 | 59.8° | 180.0° |
H1 | C1 | C2 | C3 | 20.1° | 55.0° |
H1 | C1 | C2 | H21 | 105.1° | 175.1° |
H1 | C1 | C2 | H22 | 145.4° | 65.0° |
C3 | C2 | H21 | H22 | 113.0° | 120.0° |
C2 | C3 | C4 | C5 | 179.5° | 120.1° |
C2 | C3 | C4 | H3 | 30.3° | 120.0° |
C2 | C3 | C5 | H3 | 31.8° | 120.0° |
C2 | C3 | C4 | H41 | 180.0° | 65.3° |
C2 | C3 | C4 | H42 | 54.8° | 54.7° |
C2 | C3 | C4 | H43 | 54.8° | 174.8° |
C2 | C3 | C5 | C6 | 45.0° | 180.0° |
C2 | C3 | C5 | H51 | 80.3° | 60.0° |
C2 | C3 | C5 | H52 | 170.3° | 60.0° |
H21 | C2 | C3 | C4 | 125.8° | 54.1° |
H21 | C2 | C3 | C5 | 54.7° | 174.1° |
H21 | C2 | C3 | H3 | 41.2° | 65.9° |
H22 | C2 | C3 | C4 | 124.7° | 65.9° |
H22 | C2 | C3 | C5 | 54.8° | 54.1° |
H22 | C2 | C3 | H3 | 150.7° | 174.1° |
C4 | C3 | C5 | H3 | 148.7° | 119.9° |
C3 | C4 | H41 | H42 | 125.3° | 120.0° |
C3 | C4 | H41 | H43 | 125.3° | 120.0° |
C3 | C4 | H42 | H43 | 113.9° | 120.1° |
C4 | C3 | C5 | C6 | 135.5° | 59.9° |
C4 | C3 | C5 | H51 | 99.2° | 60.1° |
C4 | C3 | C5 | H52 | 10.2° | 180.0° |
C5 | C3 | C4 | H41 | 0.5° | 54.8° |
C5 | C3 | C4 | H42 | 124.8° | 174.8° |
C5 | C3 | C4 | H43 | 125.7° | 65.2° |
C3 | C5 | C6 | H51 | 125.3° | 120.0° |
C3 | C5 | C6 | H52 | 125.3° | 120.0° |
C3 | C5 | H51 | H52 | 117.3° | 120.0° |
C3 | C5 | C6 | C7 | 152.2° | 180.0° |
C3 | C5 | C6 | H61 | 27.0° | 60.1° |
C3 | C5 | C6 | H62 | 82.6° | 59.9° |
H3 | C3 | C4 | H41 | 149.7° | 174.8° |
H3 | C3 | C4 | H42 | 85.1° | 65.2° |
H3 | C3 | C4 | H43 | 24.5° | 54.8° |
H3 | C3 | C5 | C6 | 13.2° | 60.0° |
H3 | C3 | C5 | H51 | 112.1° | NaN° |
H3 | C3 | C5 | H52 | 138.5° | 60.0° |
H41 | C4 | H42 | H43 | 113.8° | 120.0° |
C6 | C5 | H51 | H52 | 117.3° | 120.0° |
C5 | C6 | C7 | H61 | 125.3° | 119.9° |
C5 | C6 | C7 | H62 | 125.2° | 120.1° |
C5 | C6 | H61 | H62 | 117.8° | 120.1° |
C5 | C6 | C7 | C8 | 162.3° | 180.0° |
C5 | C6 | C7 | H71 | 37.0° | 60.0° |
C5 | C6 | C7 | H72 | 72.4° | 59.9° |
H51 | C5 | C6 | C7 | 82.5° | 60.0° |
H51 | C5 | C6 | H61 | 152.3° | 179.9° |
H51 | C5 | C6 | H62 | 42.8° | 60.1° |
H52 | C5 | C6 | C7 | 26.9° | 59.9° |
H52 | C5 | C6 | H61 | 98.3° | 60.0° |
H52 | C5 | C6 | H62 | 152.1° | 180.0° |
C7 | C6 | H61 | H62 | 117.8° | 120.0° |
C6 | C7 | C8 | H71 | 125.3° | 120.0° |
C6 | C7 | C8 | H72 | 125.3° | 120.2° |
C6 | C7 | H71 | H72 | 113.2° | 120.0° |
C6 | C7 | C8 | C9 | 0.9° | 59.9° |
C6 | C7 | C8 | C10 | 179.9° | 180.0° |
C6 | C7 | C8 | H8 | 125.5° | 60.1° |
H61 | C6 | C7 | C8 | 72.5° | 60.1° |
H61 | C6 | C7 | H71 | 162.2° | 180.0° |
H61 | C6 | C7 | H72 | 52.9° | 60.1° |
H62 | C6 | C7 | C8 | 37.0° | 59.9° |
H62 | C6 | C7 | H71 | 88.3° | 60.1° |
H62 | C6 | C7 | H72 | 162.3° | 180.0° |
C8 | C7 | H71 | H72 | 113.2° | 120.0° |
C7 | C8 | C9 | C10 | 179.0° | 120.1° |
C7 | C8 | C9 | H8 | 52.2° | 119.9° |
C7 | C8 | C10 | H8 | 34.0° | 119.9° |
C7 | C8 | C9 | H91 | 180.0° | 60.1° |
C7 | C8 | C9 | H92 | 54.7° | 59.9° |
C7 | C8 | C9 | H93 | 54.8° | 180.0° |
C7 | C8 | C10 | C11 | 72.9° | 180.0° |
C7 | C8 | C10 | H101 | 52.4° | 60.1° |
C7 | C8 | C10 | H102 | 161.9° | 59.9° |
H71 | C7 | C8 | C9 | 126.2° | 60.1° |
H71 | C7 | C8 | C10 | 54.8° | 60.0° |
H71 | C7 | C8 | H8 | 0.2° | 179.9° |
H72 | C7 | C8 | C9 | 124.4° | 180.0° |
H72 | C7 | C8 | C10 | 54.6° | 59.8° |
H72 | C7 | C8 | H8 | 109.2° | 60.1° |
C9 | C8 | C10 | H8 | 147.0° | 120.0° |
C8 | C9 | H91 | H92 | 125.2° | 120.1° |
C8 | C9 | H91 | H93 | 125.2° | 120.0° |
C8 | C9 | H92 | H93 | 114.0° | 120.1° |
C9 | C8 | C10 | C11 | 108.1° | 59.9° |
C9 | C8 | C10 | H101 | 126.6° | 60.0° |
C9 | C8 | C10 | H102 | 17.1° | 180.0° |
C10 | C8 | C9 | H91 | 1.0° | 60.0° |
C10 | C8 | C9 | H92 | 124.3° | 180.0° |
C10 | C8 | C9 | H93 | 126.2° | 59.9° |
C8 | C10 | C11 | H101 | 125.3° | 119.9° |
C8 | C10 | C11 | H102 | 125.3° | 120.1° |
C8 | C10 | H101 | H102 | 117.4° | 120.0° |
C8 | C10 | C11 | C12 | 171.9° | NaN° |
C8 | C10 | C11 | H111 | 46.7° | 60.1° |
C8 | C10 | C11 | H112 | 62.9° | 59.9° |
H8 | C8 | C9 | H91 | 127.8° | 180.0° |
H8 | C8 | C9 | H92 | 106.9° | 60.0° |
H8 | C8 | C9 | H93 | 2.6° | 60.1° |
H8 | C8 | C10 | C11 | 38.9° | 60.1° |
H8 | C8 | C10 | H101 | 86.3° | 180.0° |
H8 | C8 | C10 | H102 | 164.1° | 60.0° |
H91 | C9 | H92 | H93 | 114.2° | 119.8° |
C11 | C10 | H101 | H102 | 117.3° | 120.0° |
C10 | C11 | C12 | H111 | 125.3° | 119.9° |
C10 | C11 | C12 | H112 | 125.2° | 120.2° |
C10 | C11 | H111 | H112 | 118.2° | 120.0° |
C10 | C11 | C12 | C13 | 176.8° | 179.9° |
C10 | C11 | C12 | H121 | 58.0° | 60.1° |
C10 | C11 | C12 | H122 | 51.5° | 59.8° |
H101 | C10 | C11 | C12 | 62.8° | 60.1° |
H101 | C10 | C11 | H111 | 172.0° | 179.9° |
H101 | C10 | C11 | H112 | 62.4° | 60.0° |
H102 | C10 | C11 | C12 | 46.6° | 59.9° |
H102 | C10 | C11 | H111 | 78.6° | 60.1° |
H102 | C10 | C11 | H112 | 171.9° | NaN° |
C12 | C11 | H111 | H112 | 118.1° | 120.0° |
C11 | C12 | C13 | H121 | 125.3° | 120.0° |
C11 | C12 | C13 | H122 | 125.3° | 120.1° |
C11 | C12 | H121 | H122 | 113.0° | 120.0° |
C11 | C12 | C13 | C14 | 0.6° | 180.0° |
C11 | C12 | C13 | C15 | 179.9° | 59.9° |
C11 | C12 | C13 | H13 | 59.8° | 60.0° |
H111 | C11 | C12 | C13 | 51.5° | 60.0° |
H111 | C11 | C12 | H121 | 176.7° | 180.0° |
H111 | C11 | C12 | H122 | 73.8° | 60.1° |
H112 | C11 | C12 | C13 | 58.0° | 59.9° |
H112 | C11 | C12 | H121 | 67.2° | 60.1° |
H112 | C11 | C12 | H122 | 176.7° | 180.0° |
C13 | C12 | H121 | H122 | 112.9° | 120.0° |
C12 | C13 | C14 | C15 | 179.3° | 120.0° |
C12 | C13 | C14 | H13 | 17.7° | 120.0° |
C12 | C13 | C15 | H13 | 21.2° | 120.0° |
C12 | C13 | C14 | H141 | 180.0° | 179.9° |
C12 | C13 | C14 | H142 | 54.7° | 60.0° |
C12 | C13 | C14 | H143 | 54.8° | 60.0° |
C12 | C13 | C15 | H151 | 180.0° | 60.0° |
C12 | C13 | C15 | H152 | 54.8° | 59.9° |
C12 | C13 | C15 | H153 | 54.7° | 180.0° |
H121 | C12 | C13 | C14 | 124.7° | 60.0° |
H121 | C12 | C13 | C15 | 54.6° | 60.1° |
H121 | C12 | C13 | H13 | 174.9° | 180.0° |
H122 | C12 | C13 | C14 | 125.9° | 59.9° |
H122 | C12 | C13 | C15 | 54.8° | 179.9° |
H122 | C12 | C13 | H13 | 65.5° | 60.1° |
C14 | C13 | C15 | H13 | 159.4° | 120.0° |
C13 | C14 | H141 | H142 | 125.3° | 120.1° |
C13 | C14 | H141 | H143 | 125.2° | 120.0° |
C13 | C14 | H142 | H143 | 113.5° | 120.0° |
C14 | C13 | C15 | H151 | 0.6° | 60.0° |
C14 | C13 | C15 | H152 | 124.5° | 179.9° |
C14 | C13 | C15 | H153 | 125.9° | 59.9° |
C15 | C13 | C14 | H141 | 0.6° | 59.9° |
C15 | C13 | C14 | H142 | 125.9° | 180.0° |
C15 | C13 | C14 | H143 | 124.6° | 60.0° |
C13 | C15 | H151 | H152 | 125.2° | 120.0° |
C13 | C15 | H151 | H153 | 125.3° | 120.0° |
C13 | C15 | H152 | H153 | 113.8° | 120.1° |
H13 | C13 | C14 | H141 | 162.3° | 60.1° |
H13 | C13 | C14 | H142 | 37.0° | 60.0° |
H13 | C13 | C14 | H143 | 72.5° | NaN° |
H13 | C13 | C15 | H151 | 158.8° | 180.0° |
H13 | C13 | C15 | H152 | 76.0° | 60.1° |
H13 | C13 | C15 | H153 | 33.5° | 60.1° |
H141 | C14 | H142 | H143 | 113.5° | 119.9° |
H151 | C15 | H152 | H153 | 113.7° | 119.9° |