9HF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAQ | CAP | sing | 1.53Å | 1.53Å | |
CAO | CAP | sing | 1.53Å | 1.51Å | |
CAO | CAH | sing | 1.53Å | 1.51Å | |
CAC | CAD | sing | 1.53Å | 1.52Å | |
CAP | CAI | sing | 1.51Å | 1.41Å | |
CAP | CAT | sing | 1.53Å | 1.53Å | |
NAM | NAN | doub | 1.29Å | 1.24Å | Aromatic |
NAM | NAL | sing | 1.40Å | 1.23Å | Aromatic |
CAI | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
CAI | CAE | sing | 1.38Å | 1.40Å | Aromatic |
NAN | CAS | sing | 1.36Å | 1.33Å | Aromatic |
CAJ | CAK | sing | 1.39Å | 1.39Å | Aromatic |
CAH | CAD | sing | 1.53Å | 1.51Å | |
CAD | CAE | sing | 1.51Å | 1.39Å | |
CAD | CAA | sing | 1.53Å | 1.53Å | |
CAE | CAF | doub | 1.39Å | 1.39Å | Aromatic |
CAK | NAL | sing | 1.40Å | 1.34Å | |
CAK | CAG | doub | 1.39Å | 1.40Å | Aromatic |
NAL | CAR | sing | 1.38Å | 1.33Å | Aromatic |
CAF | CAG | sing | 1.38Å | 1.38Å | Aromatic |
CAG | CAB | sing | 1.51Å | 1.39Å | |
CAS | CAR | doub | 1.41Å | 1.32Å | Aromatic |
CAS | CAV | sing | 1.40Å | 1.33Å | Aromatic |
CAR | CAU | sing | 1.39Å | 1.33Å | Aromatic |
CAV | CAX | doub | 1.39Å | 1.39Å | Aromatic |
CAU | CAW | doub | 1.36Å | 1.39Å | Aromatic |
CAX | CAW | sing | 1.40Å | 1.39Å | Aromatic |
CAX | CAY | sing | 1.48Å | 1.39Å | |
OBA | CAY | doub | 1.21Å | 1.25Å | |
CAY | OAZ | sing | 1.35Å | 1.25Å | |
OAZ | H1 | sing | 0.97Å | 0.95Å | |
CAV | H2 | sing | 1.08Å | 1.08Å | |
CAW | H3 | sing | 1.08Å | 1.08Å | |
CAU | H4 | sing | 1.08Å | 1.08Å | |
CAJ | H5 | sing | 1.08Å | 1.08Å | |
CAQ | H6 | sing | 1.09Å | 1.10Å | |
CAQ | H7 | sing | 1.09Å | 1.10Å | |
CAQ | H8 | sing | 1.09Å | 1.10Å | |
CAT | H9 | sing | 1.09Å | 1.10Å | |
CAT | H10 | sing | 1.09Å | 1.10Å | |
CAT | H11 | sing | 1.09Å | 1.10Å | |
CAO | H12 | sing | 1.09Å | 1.10Å | |
CAO | H13 | sing | 1.09Å | 1.10Å | |
CAH | H14 | sing | 1.09Å | 1.10Å | |
CAH | H15 | sing | 1.09Å | 1.10Å | |
CAC | H16 | sing | 1.09Å | 1.10Å | |
CAC | H17 | sing | 1.09Å | 1.10Å | |
CAC | H18 | sing | 1.09Å | 1.10Å | |
CAA | H19 | sing | 1.09Å | 1.10Å | |
CAA | H20 | sing | 1.09Å | 1.10Å | |
CAA | H21 | sing | 1.09Å | 1.10Å | |
CAF | H22 | sing | 1.08Å | 1.08Å | |
CAB | H23 | sing | 1.09Å | 1.10Å | |
CAB | H24 | sing | 1.09Å | 1.10Å | |
CAB | H25 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAQ | CAP | CAO | 109.1° | 109.2° |
CAQ | CAP | CAI | 110.3° | 109.3° |
CAQ | CAP | CAT | 109.3° | 109.3° |
CAP | CAQ | H6 | 109.5° | 109.5° |
CAP | CAQ | H7 | 109.4° | 109.5° |
CAP | CAQ | H8 | 109.5° | 109.5° |
CAP | CAO | CAH | 106.7° | 108.4° |
CAO | CAP | CAI | 110.9° | 110.6° |
CAO | CAP | CAT | 108.1° | 109.2° |
CAP | CAO | H12 | 110.2° | 109.7° |
CAP | CAO | H13 | 110.2° | 109.7° |
CAO | CAH | CAD | 106.0° | 108.4° |
CAH | CAO | H12 | 110.2° | 109.7° |
CAH | CAO | H13 | 110.2° | 109.7° |
CAO | CAH | H14 | 110.3° | 109.7° |
CAO | CAH | H15 | 110.3° | 109.7° |
CAC | CAD | CAH | 108.8° | 109.3° |
CAC | CAD | CAE | 106.9° | 109.3° |
CAC | CAD | CAA | 109.3° | 109.2° |
CAD | CAC | H16 | 109.5° | 109.5° |
CAD | CAC | H17 | 109.5° | 109.5° |
CAD | CAC | H18 | 109.5° | 109.4° |
CAI | CAP | CAT | 109.2° | 109.2° |
CAP | CAI | CAJ | 119.1° | 117.7° |
CAP | CAI | CAE | 122.0° | 122.5° |
CAP | CAT | H9 | 109.5° | 109.5° |
CAP | CAT | H10 | 109.5° | 109.4° |
CAP | CAT | H11 | 109.4° | 109.5° |
NAN | NAM | NAL | 111.5° | 109.5° |
NAM | NAN | CAS | 108.9° | 110.2° |
NAM | NAL | CAK | 126.3° | 126.7° |
NAM | NAL | CAR | 108.4° | 106.7° |
CAJ | CAI | CAE | 118.9° | 119.8° |
CAI | CAJ | CAK | 121.4° | 120.5° |
CAI | CAJ | H5 | 119.3° | 119.8° |
CAI | CAE | CAD | 122.9° | 122.6° |
CAI | CAE | CAF | 119.7° | 119.8° |
NAN | CAS | CAR | 105.1° | 107.6° |
NAN | CAS | CAV | 133.4° | 133.0° |
CAJ | CAK | NAL | 119.9° | 120.2° |
CAJ | CAK | CAG | 119.0° | 119.6° |
CAK | CAJ | H5 | 119.3° | 119.7° |
CAH | CAD | CAE | 111.1° | 110.6° |
CAH | CAD | CAA | 109.8° | 109.2° |
CAD | CAH | H14 | 110.3° | 109.7° |
CAD | CAH | H15 | 110.3° | 109.7° |
CAE | CAD | CAA | 110.8° | 109.2° |
CAD | CAE | CAF | 117.3° | 117.7° |
CAD | CAA | H19 | 109.5° | 109.5° |
CAD | CAA | H20 | 109.5° | 109.5° |
CAD | CAA | H21 | 109.5° | 109.5° |
CAE | CAF | CAG | 121.2° | 120.7° |
CAE | CAF | H22 | 119.4° | 119.7° |
NAL | CAK | CAG | 121.2° | 120.2° |
CAK | NAL | CAR | 125.3° | 126.6° |
CAK | CAG | CAF | 119.9° | 119.7° |
CAK | CAG | CAB | 122.7° | 120.2° |
NAL | CAR | CAS | 106.1° | 106.0° |
NAL | CAR | CAU | 132.4° | 133.7° |
CAF | CAG | CAB | 117.4° | 120.1° |
CAG | CAF | H22 | 119.4° | 119.7° |
CAG | CAB | H23 | 109.5° | 109.5° |
CAG | CAB | H24 | 109.4° | 109.5° |
CAG | CAB | H25 | 109.5° | 109.4° |
CAR | CAS | CAV | 121.4° | 119.4° |
CAS | CAR | CAU | 121.5° | 120.2° |
CAS | CAV | CAX | 119.5° | 119.6° |
CAS | CAV | H2 | 120.2° | 120.2° |
CAR | CAU | CAW | 120.3° | 120.1° |
CAR | CAU | H4 | 119.9° | 120.0° |
CAV | CAX | CAW | 119.2° | 120.2° |
CAV | CAX | CAY | 121.3° | 119.9° |
CAX | CAV | H2 | 120.3° | 120.2° |
CAU | CAW | CAX | 118.0° | 120.4° |
CAU | CAW | H3 | 121.0° | 119.8° |
CAW | CAU | H4 | 119.8° | 119.9° |
CAW | CAX | CAY | 119.5° | 119.8° |
CAX | CAW | H3 | 121.0° | 119.8° |
CAX | CAY | OBA | 120.0° | 120.0° |
CAX | CAY | OAZ | 119.9° | 120.0° |
OBA | CAY | OAZ | 120.2° | 120.0° |
CAY | OAZ | H1 | 109.5° | 117.0° |
H6 | CAQ | H7 | 109.4° | 109.5° |
H6 | CAQ | H8 | 109.5° | 109.4° |
H7 | CAQ | H8 | 109.5° | 109.4° |
H9 | CAT | H10 | 109.5° | 109.5° |
H9 | CAT | H11 | 109.5° | 109.5° |
H10 | CAT | H11 | 109.5° | 109.4° |
H12 | CAO | H13 | 109.4° | 109.7° |
H14 | CAH | H15 | 109.5° | 109.7° |
H16 | CAC | H17 | 109.5° | 109.5° |
H16 | CAC | H18 | 109.5° | 109.4° |
H17 | CAC | H18 | 109.5° | 109.5° |
H19 | CAA | H20 | 109.5° | 109.5° |
H19 | CAA | H21 | 109.5° | 109.4° |
H20 | CAA | H21 | 109.5° | 109.5° |
H23 | CAB | H24 | 109.5° | 109.5° |
H23 | CAB | H25 | 109.4° | 109.5° |
H24 | CAB | H25 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAQ | CAP | CAO | CAI | 121.6° | 120.3° |
CAQ | CAP | CAO | CAT | 118.7° | 119.5° |
CAQ | CAP | CAO | CAH | 174.9° | 69.2° |
CAQ | CAP | CAI | CAT | 120.1° | 119.5° |
CAQ | CAP | CAI | CAJ | 41.6° | 77.2° |
CAQ | CAP | CAI | CAE | 140.3° | 102.4° |
CAP | CAQ | H6 | H7 | 120.0° | 120.1° |
CAP | CAQ | H6 | H8 | 120.0° | 120.0° |
CAP | CAQ | H7 | H8 | 120.0° | 120.0° |
CAQ | CAP | CAT | H9 | 180.0° | 179.5° |
CAQ | CAP | CAT | H10 | 60.0° | 60.5° |
CAQ | CAP | CAT | H11 | 60.0° | 59.4° |
CAQ | CAP | CAO | H12 | 55.3° | 50.6° |
CAQ | CAP | CAO | H13 | 65.5° | 171.1° |
CAP | CAO | CAH | H12 | 119.6° | 119.7° |
CAP | CAO | CAH | H13 | 119.6° | 119.8° |
CAO | CAP | CAI | CAT | 119.0° | 120.2° |
CAO | CAP | CAI | CAJ | 162.5° | 162.5° |
CAO | CAP | CAI | CAE | 19.4° | 17.9° |
CAP | CAO | CAH | CAD | 71.2° | 69.9° |
CAO | CAP | CAQ | H6 | 180.0° | 178.9° |
CAO | CAP | CAQ | H7 | 60.0° | 58.9° |
CAO | CAP | CAQ | H8 | 60.0° | 61.1° |
CAO | CAP | CAT | H9 | 61.4° | 61.0° |
CAO | CAP | CAT | H10 | 58.6° | 58.9° |
CAO | CAP | CAT | H11 | 178.6° | 178.9° |
CAP | CAO | H12 | H13 | 121.3° | 120.5° |
CAP | CAO | CAH | H14 | 169.3° | 49.8° |
CAP | CAO | CAH | H15 | 48.2° | 170.4° |
CAO | CAH | CAD | CAC | 63.5° | 171.5° |
CAH | CAO | CAP | CAI | 53.3° | 51.2° |
CAH | CAO | CAP | CAT | 66.4° | 171.4° |
CAO | CAH | CAD | H14 | 119.4° | 119.7° |
CAO | CAH | CAD | H15 | 119.4° | 119.7° |
CAO | CAH | CAD | CAE | 53.9° | 51.1° |
CAO | CAH | CAD | CAA | 176.9° | 69.1° |
CAH | CAO | H12 | H13 | 121.3° | 120.5° |
CAO | CAH | H14 | H15 | 121.6° | 120.5° |
CAC | CAD | CAE | CAI | 98.1° | 138.3° |
CAC | CAD | CAH | CAE | 117.4° | 120.4° |
CAC | CAD | CAH | CAA | 119.6° | 119.4° |
CAC | CAD | CAE | CAA | 119.0° | 119.4° |
CAC | CAD | CAE | CAF | 79.6° | 41.9° |
CAC | CAD | CAH | H14 | 55.9° | 51.8° |
CAC | CAD | CAH | H15 | 177.0° | 68.8° |
CAD | CAC | H16 | H17 | 120.0° | 120.0° |
CAD | CAC | H16 | H18 | 120.0° | 120.0° |
CAD | CAC | H17 | H18 | 120.0° | 120.0° |
CAC | CAD | CAA | H19 | 180.0° | 179.4° |
CAC | CAD | CAA | H20 | 60.0° | 60.6° |
CAC | CAD | CAA | H21 | 60.0° | 59.5° |
CAP | CAI | CAJ | CAE | 178.2° | 179.5° |
CAP | CAI | CAJ | CAK | 179.2° | 179.3° |
CAP | CAI | CAE | CAD | 2.6° | 0.9° |
CAP | CAI | CAE | CAF | 179.8° | 179.2° |
CAP | CAI | CAJ | H5 | 0.8° | 0.7° |
CAI | CAP | CAQ | H6 | 58.0° | 60.0° |
CAI | CAP | CAQ | H7 | 178.0° | 180.0° |
CAI | CAP | CAQ | H8 | 62.0° | 60.0° |
CAI | CAP | CAT | H9 | 59.3° | 60.0° |
CAI | CAP | CAT | H10 | 179.3° | 180.0° |
CAI | CAP | CAT | H11 | 60.7° | 60.1° |
CAI | CAP | CAO | H12 | 66.3° | 170.9° |
CAI | CAP | CAO | H13 | 172.8° | 68.6° |
CAT | CAP | CAI | CAJ | 78.5° | 42.3° |
CAT | CAP | CAI | CAE | 99.7° | 138.2° |
CAT | CAP | CAQ | H6 | 62.0° | 59.5° |
CAT | CAP | CAQ | H7 | 58.0° | 60.6° |
CAT | CAP | CAQ | H8 | 178.0° | 179.5° |
CAP | CAT | H9 | H10 | 120.0° | 120.0° |
CAP | CAT | H9 | H11 | 120.0° | 120.1° |
CAP | CAT | H10 | H11 | 120.0° | 120.0° |
CAT | CAP | CAO | H12 | 174.0° | 68.9° |
CAT | CAP | CAO | H13 | 53.2° | 51.6° |
NAN | NAM | NAL | CAK | 179.7° | 180.0° |
NAN | NAM | NAL | CAR | 0.8° | 0.6° |
NAM | NAN | CAS | CAR | 0.3° | 0.0° |
NAM | NAN | CAS | CAV | 179.9° | 179.1° |
NAL | NAM | NAN | CAS | 0.3° | 0.4° |
NAM | NAL | CAK | CAJ | 67.1° | 132.6° |
NAM | NAL | CAK | CAR | 178.8° | 179.2° |
NAM | NAL | CAK | CAG | 113.2° | 47.7° |
NAM | NAL | CAR | CAS | 0.9° | 0.6° |
NAM | NAL | CAR | CAU | 179.9° | 179.9° |
CAI | CAJ | CAK | H5 | 180.0° | 180.0° |
CAJ | CAI | CAE | CAD | 179.2° | 179.5° |
CAJ | CAI | CAE | CAF | 1.6° | 0.3° |
CAI | CAJ | CAK | NAL | 179.8° | 180.0° |
CAI | CAJ | CAK | CAG | 0.0° | 0.3° |
CAE | CAI | CAJ | CAK | 0.9° | 0.2° |
CAI | CAE | CAD | CAH | 20.5° | 17.9° |
CAI | CAE | CAD | CAF | 177.7° | 179.9° |
CAI | CAE | CAD | CAA | 142.8° | 102.3° |
CAI | CAE | CAF | CAG | 1.4° | 0.5° |
CAE | CAI | CAJ | H5 | 179.0° | 179.8° |
CAI | CAE | CAF | H22 | 178.6° | 179.8° |
NAN | CAS | CAR | NAL | 0.7° | 0.4° |
NAN | CAS | CAR | CAV | 179.7° | 179.3° |
NAN | CAS | CAR | CAU | 180.0° | 180.0° |
NAN | CAS | CAV | CAX | 179.9° | 179.5° |
NAN | CAS | CAV | H2 | 0.1° | 0.4° |
CAJ | CAK | NAL | CAG | 179.7° | 179.8° |
CAJ | CAK | NAL | CAR | 111.7° | 48.2° |
CAJ | CAK | CAG | CAF | 0.3° | 0.4° |
CAJ | CAK | CAG | CAB | 179.3° | 179.9° |
CAH | CAD | CAE | CAA | 122.4° | 120.3° |
CAH | CAD | CAE | CAF | 161.8° | 162.2° |
CAD | CAH | CAO | H12 | 48.3° | 170.4° |
CAD | CAH | CAO | H13 | 169.2° | 49.9° |
CAD | CAH | H14 | H15 | 121.6° | 120.6° |
CAH | CAD | CAC | H16 | 180.0° | 59.9° |
CAH | CAD | CAC | H17 | 60.0° | 180.0° |
CAH | CAD | CAC | H18 | 60.0° | 60.0° |
CAH | CAD | CAA | H19 | 60.7° | 60.0° |
CAH | CAD | CAA | H20 | 179.3° | 180.0° |
CAH | CAD | CAA | H21 | 59.4° | 60.0° |
CAD | CAE | CAF | CAG | 179.1° | 179.4° |
CAE | CAD | CAH | H14 | 173.4° | 68.6° |
CAE | CAD | CAH | H15 | 65.5° | 170.8° |
CAE | CAD | CAC | H16 | 60.0° | 178.9° |
CAE | CAD | CAC | H17 | 60.0° | 58.9° |
CAE | CAD | CAC | H18 | 180.0° | 61.1° |
CAE | CAD | CAA | H19 | 62.4° | 61.1° |
CAE | CAD | CAA | H20 | 57.6° | 58.9° |
CAE | CAD | CAA | H21 | 177.5° | 178.9° |
CAD | CAE | CAF | H22 | 0.9° | 0.4° |
CAA | CAD | CAE | CAF | 39.5° | 77.5° |
CAA | CAD | CAH | H14 | 63.7° | 171.2° |
CAA | CAD | CAH | H15 | 57.4° | 50.6° |
CAA | CAD | CAC | H16 | 60.1° | 59.5° |
CAA | CAD | CAC | H17 | 180.0° | 60.6° |
CAA | CAD | CAC | H18 | 60.0° | 179.5° |
CAD | CAA | H19 | H20 | 120.0° | 120.0° |
CAD | CAA | H19 | H21 | 120.0° | 120.0° |
CAD | CAA | H20 | H21 | 120.0° | 120.1° |
CAE | CAF | CAG | CAK | 0.4° | 0.5° |
CAE | CAF | CAG | H22 | 180.0° | 179.7° |
CAE | CAF | CAG | CAB | 180.0° | 179.7° |
NAL | CAK | CAG | CAF | 179.5° | 179.8° |
NAL | CAK | CAG | CAB | 1.0° | 0.1° |
CAK | NAL | CAR | CAS | 179.9° | 180.0° |
CAK | NAL | CAR | CAU | 1.0° | 0.5° |
NAL | CAK | CAJ | H5 | 0.2° | 0.0° |
CAG | CAK | NAL | CAR | 68.0° | 131.6° |
CAK | CAG | CAF | CAB | 179.6° | 179.7° |
CAG | CAK | CAJ | H5 | 180.0° | 179.7° |
CAK | CAG | CAF | H22 | 179.6° | 179.7° |
CAK | CAG | CAB | H23 | 89.8° | 84.7° |
CAK | CAG | CAB | H24 | 150.2° | 155.3° |
CAK | CAG | CAB | H25 | 30.2° | 35.3° |
NAL | CAR | CAS | CAU | 179.3° | 179.6° |
NAL | CAR | CAS | CAV | 179.6° | 179.6° |
NAL | CAR | CAU | CAW | 179.1° | 180.0° |
NAL | CAR | CAU | H4 | 0.9° | 0.0° |
CAF | CAG | CAB | H23 | 89.8° | 95.1° |
CAF | CAG | CAB | H24 | 30.2° | 24.9° |
CAF | CAG | CAB | H25 | 150.2° | 144.9° |
CAB | CAG | CAF | H22 | 0.0° | 0.0° |
CAG | CAB | H23 | H24 | 120.0° | 120.0° |
CAG | CAB | H23 | H25 | 120.0° | 119.9° |
CAG | CAB | H24 | H25 | 120.0° | 120.0° |
CAR | CAS | CAV | CAX | 0.3° | 0.5° |
CAS | CAR | CAU | CAW | 0.1° | 0.6° |
CAR | CAS | CAV | H2 | 179.7° | 179.5° |
CAS | CAR | CAU | H4 | 179.9° | 179.5° |
CAV | CAS | CAR | CAU | 0.4° | 0.8° |
CAS | CAV | CAX | H2 | 180.0° | 180.0° |
CAS | CAV | CAX | CAW | 0.0° | 0.0° |
CAS | CAV | CAX | CAY | 179.8° | 179.7° |
CAR | CAU | CAW | H4 | 180.0° | 179.9° |
CAR | CAU | CAW | CAX | 0.3° | 0.1° |
CAR | CAU | CAW | H3 | 179.7° | 180.0° |
CAV | CAX | CAW | CAU | 0.3° | 0.2° |
CAV | CAX | CAW | CAY | 179.7° | 179.8° |
CAV | CAX | CAY | OBA | 1.1° | 0.2° |
CAV | CAX | CAY | OAZ | 178.2° | 179.7° |
CAV | CAX | CAW | H3 | 179.6° | 179.7° |
CAU | CAW | CAX | H3 | 180.0° | 179.9° |
CAU | CAW | CAX | CAY | 179.9° | 180.0° |
CAW | CAX | CAY | OBA | 179.2° | 180.0° |
CAW | CAX | CAY | OAZ | 1.6° | 0.0° |
CAW | CAX | CAV | H2 | 180.0° | 180.0° |
CAX | CAW | CAU | H4 | 179.7° | 180.0° |
CAX | CAY | OBA | OAZ | 179.3° | 180.0° |
CAX | CAY | OAZ | H1 | 179.3° | 180.0° |
CAY | CAX | CAV | H2 | 0.2° | 0.3° |
CAY | CAX | CAW | H3 | 0.1° | 0.1° |
OBA | CAY | OAZ | H1 | 0.0° | 0.1° |
H3 | CAW | CAU | H4 | 0.3° | 0.1° |
H6 | CAQ | H7 | H8 | 120.0° | 119.9° |
H9 | CAT | H10 | H11 | 120.0° | 120.0° |
H12 | CAO | CAH | H14 | 71.1° | 69.9° |
H12 | CAO | CAH | H15 | 167.8° | 50.6° |
H13 | CAO | CAH | H14 | 49.8° | 169.6° |
H13 | CAO | CAH | H15 | 71.4° | 69.9° |
H16 | CAC | H17 | H18 | 120.0° | 120.0° |
H19 | CAA | H20 | H21 | 120.0° | 119.9° |
H23 | CAB | H24 | H25 | 120.0° | 120.0° |