HHG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2P | P | sing | 1.61Å | 1.52Å | |
O2P | H2P | sing | 0.97Å | 0.95Å | |
P | O4P | doub | 1.48Å | 1.52Å | |
P | O1P | sing | 1.61Å | 1.52Å | |
P | O3P | sing | 1.61Å | 1.62Å | |
O1P | H1P | sing | 0.97Å | 0.95Å | |
O3P | C1 | sing | 1.43Å | 1.42Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C1 | H11 | sing | 1.09Å | 1.11Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.45Å | 1.43Å | |
C3 | H31 | sing | 1.09Å | 1.12Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
O3 | C4 | sing | 1.34Å | 1.46Å | |
C4 | O1 | doub | 1.21Å | 1.23Å | |
C4 | C5 | sing | 1.51Å | 1.51Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
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 | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
C7 | C8 | sing | 1.53Å | 1.52Å | |
C7 | H71 | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
C8 | C9 | sing | 1.53Å | 1.51Å | |
C8 | H81 | sing | 1.09Å | 1.12Å | |
C8 | H82 | sing | 1.09Å | 1.11Å | |
C9 | H91 | sing | 1.09Å | 1.11Å | |
C9 | H92 | sing | 1.09Å | 1.11Å | |
C9 | H93 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | O2P | H2P | 112.9° | 106.8° |
O2P | P | O4P | 112.9° | 109.5° |
O2P | P | O1P | 115.8° | 109.5° |
O2P | P | O3P | 103.1° | 109.5° |
O4P | P | O1P | 113.6° | 109.5° |
O4P | P | O3P | 104.3° | 109.5° |
O1P | P | O3P | 105.4° | 109.5° |
P | O1P | H1P | 115.8° | 106.8° |
P | O3P | C1 | 121.6° | 106.8° |
O3P | C1 | C2 | 108.2° | 109.5° |
O3P | C1 | H11 | 112.7° | 109.5° |
O3P | C1 | H12 | 112.7° | 109.4° |
C2 | C1 | H11 | 112.7° | 109.5° |
C2 | C1 | H12 | 112.7° | 109.5° |
C1 | C2 | O2 | 109.4° | 109.5° |
C1 | C2 | C3 | 109.3° | 109.5° |
C1 | C2 | H2 | 110.1° | 109.5° |
H11 | C1 | H12 | 97.8° | 109.4° |
O2 | C2 | C3 | 111.0° | 109.4° |
O2 | C2 | H2 | 108.4° | 109.5° |
C2 | O2 | HO2 | 109.4° | 106.8° |
C3 | C2 | H2 | 108.6° | 109.5° |
C2 | C3 | O3 | 108.0° | 109.5° |
C2 | C3 | H31 | 112.8° | 109.5° |
C2 | C3 | H32 | 112.8° | 109.5° |
O3 | C3 | H31 | 112.7° | 109.5° |
O3 | C3 | H32 | 112.8° | 109.5° |
C3 | O3 | C4 | 123.1° | 120.0° |
H31 | C3 | H32 | 97.7° | 109.4° |
O3 | C4 | O1 | 120.5° | 120.1° |
O3 | C4 | C5 | 117.5° | 120.0° |
O1 | C4 | C5 | 122.0° | 119.9° |
C4 | C5 | C6 | 111.7° | 109.5° |
C4 | C5 | H51 | 111.4° | 109.5° |
C4 | C5 | H52 | 111.4° | 109.5° |
C6 | C5 | H51 | 111.4° | 109.5° |
C6 | C5 | H52 | 111.4° | 109.5° |
C5 | C6 | C7 | 109.8° | 109.5° |
C5 | C6 | H61 | 112.1° | 109.4° |
C5 | C6 | H62 | 112.1° | 109.4° |
H51 | C5 | H52 | 99.0° | 109.4° |
C7 | C6 | H61 | 112.1° | 109.5° |
C7 | C6 | H62 | 112.1° | 109.5° |
C6 | C7 | C8 | 111.2° | 109.5° |
C6 | C7 | H71 | 111.6° | 109.5° |
C6 | C7 | H72 | 111.6° | 109.5° |
H61 | C6 | H62 | 98.3° | 109.5° |
C8 | C7 | H71 | 111.6° | 109.5° |
C8 | C7 | H72 | 111.6° | 109.5° |
C7 | C8 | C9 | 114.5° | 109.5° |
C7 | C8 | H81 | 110.3° | 109.5° |
C7 | C8 | H82 | 110.4° | 109.5° |
H71 | C7 | H72 | 98.8° | 109.4° |
C9 | C8 | H81 | 110.4° | 109.4° |
C9 | C8 | H82 | 110.4° | 109.5° |
C8 | C9 | H91 | 110.3° | 109.5° |
C8 | C9 | H92 | 114.5° | 109.5° |
C8 | C9 | H93 | 110.4° | 109.4° |
H81 | C8 | H82 | 99.9° | 109.5° |
H91 | C9 | H92 | 110.4° | 109.5° |
H91 | C9 | H93 | 99.9° | 109.5° |
H92 | C9 | H93 | 110.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2P | P | O4P | O1P | 134.5° | 120.0° |
O2P | P | O4P | O3P | 111.2° | 120.0° |
O2P | P | O1P | O3P | 113.3° | 120.0° |
O2P | P | O1P | H1P | 180.0° | 60.0° |
O2P | P | O3P | C1 | 46.9° | 175.0° |
H2P | O2P | P | O4P | 180.0° | 60.0° |
H2P | O2P | P | O1P | 46.6° | 60.0° |
H2P | O2P | P | O3P | 68.0° | 180.0° |
O4P | P | O1P | O3P | 113.6° | 120.0° |
O4P | P | O1P | H1P | 46.9° | 180.0° |
O4P | P | O3P | C1 | 165.1° | 55.0° |
O1P | P | O3P | C1 | 75.0° | 65.0° |
O3P | P | O1P | H1P | 66.7° | 60.1° |
P | O3P | C1 | C2 | 119.6° | 180.0° |
P | O3P | C1 | H11 | 5.7° | 60.0° |
P | O3P | C1 | H12 | 115.1° | 60.0° |
O3P | C1 | C2 | H11 | 125.3° | 120.0° |
O3P | C1 | C2 | H12 | 125.2° | 120.0° |
O3P | C1 | H11 | H12 | 118.6° | 120.0° |
O3P | C1 | C2 | O2 | 71.2° | 65.0° |
O3P | C1 | C2 | C3 | 167.0° | 175.0° |
O3P | C1 | C2 | H2 | 47.8° | 55.0° |
C2 | C1 | H11 | H12 | 118.6° | 120.0° |
C1 | C2 | O2 | C3 | 120.7° | 120.0° |
C1 | C2 | O2 | H2 | 120.1° | 120.0° |
C1 | C2 | C3 | H2 | 120.2° | 120.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 171.2° | 175.0° |
C1 | C2 | C3 | H31 | 46.0° | 55.0° |
C1 | C2 | C3 | H32 | 63.5° | 65.0° |
H11 | C1 | C2 | O2 | 163.5° | 175.0° |
H11 | C1 | C2 | C3 | 41.8° | 55.0° |
H11 | C1 | C2 | H2 | 77.4° | 65.0° |
H12 | C1 | C2 | O2 | 54.0° | 55.0° |
H12 | C1 | C2 | C3 | 67.7° | 65.0° |
H12 | C1 | C2 | H2 | 173.1° | 175.0° |
O2 | C2 | C3 | H2 | 119.1° | 120.0° |
O2 | C2 | C3 | O3 | 68.0° | 65.0° |
O2 | C2 | C3 | H31 | 166.8° | 175.0° |
O2 | C2 | C3 | H32 | 57.3° | 55.0° |
C3 | C2 | O2 | HO2 | 59.3° | 60.0° |
C2 | C3 | O3 | H31 | 125.3° | 120.1° |
C2 | C3 | O3 | H32 | 125.3° | 120.0° |
C2 | C3 | H31 | H32 | 118.7° | 120.0° |
C2 | C3 | O3 | C4 | 169.7° | 180.0° |
H2 | C2 | O2 | HO2 | 59.9° | 180.0° |
H2 | C2 | C3 | O3 | 51.1° | 55.0° |
H2 | C2 | C3 | H31 | 74.2° | 65.0° |
H2 | C2 | C3 | H32 | 176.3° | 175.0° |
O3 | C3 | H31 | H32 | 118.7° | 120.0° |
C3 | O3 | C4 | O1 | 1.4° | 0.1° |
C3 | O3 | C4 | C5 | 178.5° | 180.0° |
H31 | C3 | O3 | C4 | 44.4° | 59.9° |
H32 | C3 | O3 | C4 | 65.1° | 60.0° |
O3 | C4 | O1 | C5 | 179.9° | 179.9° |
O3 | C4 | C5 | C6 | 179.8° | 180.0° |
O3 | C4 | C5 | H51 | 54.6° | 59.9° |
O3 | C4 | C5 | H52 | 54.9° | 60.0° |
O1 | C4 | C5 | C6 | 0.0° | 0.0° |
O1 | C4 | C5 | H51 | 125.3° | 120.0° |
O1 | C4 | C5 | H52 | 125.2° | 120.0° |
C4 | C5 | C6 | H51 | 125.3° | 120.0° |
C4 | C5 | C6 | H52 | 125.3° | 120.0° |
C4 | C5 | H51 | H52 | 117.3° | 120.0° |
C4 | C5 | C6 | C7 | 141.1° | 180.0° |
C4 | C5 | C6 | H61 | 15.8° | 59.9° |
C4 | C5 | C6 | H62 | 93.7° | 60.0° |
C6 | C5 | H51 | H52 | 117.3° | 120.0° |
C5 | C6 | C7 | H61 | 125.3° | 120.0° |
C5 | C6 | C7 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 118.0° | 119.9° |
C5 | C6 | C7 | C8 | 113.9° | 180.0° |
C5 | C6 | C7 | H71 | 120.8° | 60.0° |
C5 | C6 | C7 | H72 | 11.3° | 60.0° |
H51 | C5 | C6 | C7 | 93.7° | 60.0° |
H51 | C5 | C6 | H61 | 141.0° | 180.0° |
H51 | C5 | C6 | H62 | 31.6° | 60.0° |
H52 | C5 | C6 | C7 | 15.8° | 60.0° |
H52 | C5 | C6 | H61 | 109.5° | 60.1° |
H52 | C5 | C6 | H62 | 141.0° | 180.0° |
C7 | C6 | H61 | H62 | 118.0° | 120.0° |
C6 | C7 | C8 | H71 | 125.3° | 120.0° |
C6 | C7 | C8 | H72 | 125.3° | 120.0° |
C6 | C7 | H71 | H72 | 117.5° | 120.0° |
C6 | C7 | C8 | C9 | 93.0° | 180.0° |
C6 | C7 | C8 | H81 | 141.7° | 60.0° |
C6 | C7 | C8 | H82 | 32.3° | 60.0° |
H61 | C6 | C7 | C8 | 11.3° | 60.0° |
H61 | C6 | C7 | H71 | 113.9° | 179.9° |
H61 | C6 | C7 | H72 | 136.6° | 60.0° |
H62 | C6 | C7 | C8 | 120.8° | 60.0° |
H62 | C6 | C7 | H71 | 4.5° | 60.0° |
H62 | C6 | C7 | H72 | 113.9° | 180.0° |
C8 | C7 | H71 | H72 | 117.5° | 120.0° |
C7 | C8 | C9 | H81 | 125.2° | 120.0° |
C7 | C8 | C9 | H82 | 125.3° | 120.1° |
C7 | C8 | H81 | H82 | 116.2° | 120.1° |
C7 | C8 | C9 | H91 | 54.7° | 180.0° |
C7 | C8 | C9 | H92 | 180.0° | 60.0° |
C7 | C8 | C9 | H93 | 54.7° | 60.0° |
H71 | C7 | C8 | C9 | 32.2° | 60.0° |
H71 | C7 | C8 | H81 | 93.0° | 179.9° |
H71 | C7 | C8 | H82 | 157.5° | 60.0° |
H72 | C7 | C8 | C9 | 141.7° | 59.9° |
H72 | C7 | C8 | H81 | 16.5° | 60.0° |
H72 | C7 | C8 | H82 | 93.0° | 180.0° |
C9 | C8 | H81 | H82 | 116.2° | 120.0° |
C8 | C9 | H91 | H92 | 127.6° | 120.1° |
C8 | C9 | H91 | H93 | 116.2° | 119.9° |
C8 | C9 | H92 | H93 | 125.3° | 120.0° |
H81 | C8 | C9 | H91 | 180.0° | 60.1° |
H81 | C8 | C9 | H92 | 54.8° | 60.0° |
H81 | C8 | C9 | H93 | 70.5° | 180.0° |
H82 | C8 | C9 | H91 | 70.5° | 59.9° |
H82 | C8 | C9 | H92 | 54.7° | 180.0° |
H82 | C8 | C9 | H93 | 180.0° | 60.1° |
H91 | C9 | H92 | H93 | 109.5° | 120.0° |