NF6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAV | CAT | sing | 1.51Å | 1.51Å | |
| SAU | CAT | sing | 1.71Å | 1.72Å | Aromatic |
| SAU | CAQ | sing | 1.71Å | 1.72Å | Aromatic |
| CAT | NAS | doub | 1.29Å | 1.33Å | Aromatic |
| CAQ | CAY | sing | 1.51Å | 1.52Å | |
| CAQ | NAR | doub | 1.29Å | 1.34Å | Aromatic |
| NAX | CAY | sing | 1.47Å | 1.45Å | |
| NAX | CAW | sing | 1.47Å | 1.53Å | |
| NAS | NAR | sing | 1.26Å | 1.35Å | Aromatic |
| CAA | CAW | sing | 1.53Å | 1.54Å | |
| CAA | NAB | sing | 1.47Å | 1.44Å | |
| OAI | CAG | doub | 1.22Å | 1.41Å | |
| NAB | CAG | sing | 1.35Å | 1.40Å | |
| NAB | CAC | sing | 1.35Å | 1.37Å | |
| CAG | CAF | sing | 1.47Å | 1.47Å | |
| OAH | CAC | doub | 1.22Å | 1.39Å | |
| CAC | CAD | sing | 1.47Å | 1.48Å | |
| CAF | CAM | doub | 1.39Å | 1.46Å | Aromatic |
| CAF | CAE | sing | 1.41Å | 1.44Å | Aromatic |
| CAM | CAL | sing | 1.38Å | 1.42Å | Aromatic |
| CAD | CAE | doub | 1.41Å | 1.43Å | Aromatic |
| CAD | CAN | sing | 1.39Å | 1.43Å | Aromatic |
| CAE | CAJ | sing | 1.41Å | 1.41Å | Aromatic |
| CAL | CAK | doub | 1.39Å | 1.44Å | Aromatic |
| CAN | CAO | doub | 1.39Å | 1.42Å | Aromatic |
| CAJ | CAK | sing | 1.42Å | 1.45Å | Aromatic |
| CAJ | CAP | doub | 1.40Å | 1.44Å | Aromatic |
| CAK | NAZ | sing | 1.38Å | 1.46Å | |
| CBB | NAZ | sing | 1.47Å | 1.46Å | |
| CAO | CAP | sing | 1.38Å | 1.42Å | Aromatic |
| NAZ | CBA | sing | 1.47Å | 1.45Å | |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAL | H2 | sing | 1.08Å | 1.08Å | |
| CBA | H3 | sing | 1.09Å | 1.10Å | |
| CBA | H4 | sing | 1.09Å | 1.10Å | |
| CBA | H5 | sing | 1.09Å | 1.10Å | |
| CBB | H6 | sing | 1.09Å | 1.10Å | |
| CBB | H7 | sing | 1.09Å | 1.10Å | |
| CBB | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.08Å | 1.08Å | |
| CAN | H11 | sing | 1.08Å | 1.08Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAW | H13 | sing | 1.09Å | 1.10Å | |
| NAX | H14 | sing | 1.01Å | 1.00Å | |
| CAY | H15 | sing | 1.09Å | 1.10Å | |
| CAY | H16 | sing | 1.09Å | 1.10Å | |
| CAV | H17 | sing | 1.09Å | 1.10Å | |
| CAV | H18 | sing | 1.09Å | 1.10Å | |
| CAV | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAW | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | CAT | SAU | 128.7° | 125.7° |
| CAV | CAT | NAS | 126.0° | 125.7° |
| CAT | CAV | H17 | 109.5° | 109.5° |
| CAT | CAV | H18 | 109.4° | 109.5° |
| CAT | CAV | H19 | 109.5° | 109.5° |
| CAT | SAU | CAQ | 96.0° | 89.9° |
| SAU | CAT | NAS | 105.3° | 108.6° |
| SAU | CAQ | CAY | 129.2° | 125.7° |
| SAU | CAQ | NAR | 104.9° | 108.6° |
| CAT | NAS | NAR | 116.6° | 116.5° |
| CAY | CAQ | NAR | 126.0° | 125.7° |
| CAQ | CAY | NAX | 118.1° | 109.5° |
| CAQ | CAY | H15 | 107.3° | 109.5° |
| CAQ | CAY | H16 | 107.3° | 109.4° |
| CAQ | NAR | NAS | 117.1° | 116.5° |
| CAY | NAX | CAW | 110.8° | 111.0° |
| CAY | NAX | H14 | 109.1° | 111.0° |
| NAX | CAY | H15 | 107.3° | 109.5° |
| NAX | CAY | H16 | 107.3° | 109.5° |
| NAX | CAW | CAA | 116.5° | 109.5° |
| NAX | CAW | H13 | 107.7° | 109.5° |
| CAW | NAX | H14 | 109.2° | 111.0° |
| NAX | CAW | H21 | 107.7° | 109.5° |
| CAW | CAA | NAB | 119.2° | 109.5° |
| CAW | CAA | H12 | 107.0° | 109.4° |
| CAA | CAW | H13 | 107.7° | 109.5° |
| CAW | CAA | H20 | 107.0° | 109.5° |
| CAA | CAW | H21 | 107.7° | 109.5° |
| CAA | NAB | CAG | 119.5° | 118.8° |
| CAA | NAB | CAC | 118.6° | 118.8° |
| NAB | CAA | H12 | 107.0° | 109.4° |
| NAB | CAA | H20 | 107.0° | 109.5° |
| OAI | CAG | NAB | 119.9° | 119.7° |
| OAI | CAG | CAF | 120.3° | 119.8° |
| CAG | NAB | CAC | 121.9° | 122.4° |
| NAB | CAG | CAF | 119.8° | 120.5° |
| NAB | CAC | OAH | 120.1° | 119.9° |
| NAB | CAC | CAD | 120.4° | 120.3° |
| CAG | CAF | CAM | 121.3° | 121.9° |
| CAG | CAF | CAE | 119.3° | 118.8° |
| OAH | CAC | CAD | 119.5° | 119.8° |
| CAC | CAD | CAE | 119.3° | 118.7° |
| CAC | CAD | CAN | 121.1° | 122.1° |
| CAM | CAF | CAE | 119.4° | 119.3° |
| CAF | CAM | CAL | 119.9° | 120.3° |
| CAF | CAM | H1 | 120.1° | 119.8° |
| CAF | CAE | CAD | 119.3° | 119.4° |
| CAF | CAE | CAJ | 120.6° | 120.4° |
| CAM | CAL | CAK | 120.3° | 121.4° |
| CAL | CAM | H1 | 120.1° | 119.8° |
| CAM | CAL | H2 | 119.9° | 119.3° |
| CAE | CAD | CAN | 119.7° | 119.2° |
| CAD | CAE | CAJ | 120.1° | 120.2° |
| CAD | CAN | CAO | 120.1° | 120.2° |
| CAD | CAN | H11 | 119.9° | 119.9° |
| CAE | CAJ | CAK | 120.1° | 118.9° |
| CAE | CAJ | CAP | 120.5° | 119.1° |
| CAL | CAK | CAJ | 119.7° | 119.7° |
| CAL | CAK | NAZ | 121.6° | 120.2° |
| CAK | CAL | H2 | 119.8° | 119.3° |
| CAN | CAO | CAP | 120.3° | 121.4° |
| CAN | CAO | H10 | 119.9° | 119.4° |
| CAO | CAN | H11 | 119.9° | 119.9° |
| CAK | CAJ | CAP | 119.3° | 122.0° |
| CAJ | CAK | NAZ | 118.7° | 120.1° |
| CAJ | CAP | CAO | 119.2° | 120.0° |
| CAJ | CAP | H9 | 120.4° | 120.0° |
| CAK | NAZ | CBB | 120.4° | 111.0° |
| CAK | NAZ | CBA | 119.5° | 110.9° |
| CBB | NAZ | CBA | 120.1° | 111.0° |
| NAZ | CBB | H6 | 109.5° | 109.5° |
| NAZ | CBB | H7 | 109.5° | 109.5° |
| NAZ | CBB | H8 | 109.5° | 109.5° |
| CAO | CAP | H9 | 120.4° | 120.0° |
| CAP | CAO | H10 | 119.8° | 119.3° |
| NAZ | CBA | H3 | 109.5° | 109.5° |
| NAZ | CBA | H4 | 109.5° | 109.4° |
| NAZ | CBA | H5 | 109.5° | 109.5° |
| H3 | CBA | H4 | 109.5° | 109.5° |
| H3 | CBA | H5 | 109.5° | 109.5° |
| H4 | CBA | H5 | 109.5° | 109.5° |
| H6 | CBB | H7 | 109.5° | 109.5° |
| H6 | CBB | H8 | 109.4° | 109.5° |
| H7 | CBB | H8 | 109.5° | 109.5° |
| H12 | CAA | H20 | 109.5° | 109.5° |
| H13 | CAW | H21 | 109.5° | 109.4° |
| H15 | CAY | H16 | 109.4° | 109.5° |
| H17 | CAV | H18 | 109.5° | 109.5° |
| H17 | CAV | H19 | 109.5° | 109.5° |
| H18 | CAV | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | CAT | SAU | NAS | 179.7° | 179.8° |
| CAV | CAT | SAU | CAQ | 180.0° | 180.0° |
| CAV | CAT | NAS | NAR | 179.9° | 179.9° |
| CAT | CAV | H17 | H18 | 120.0° | 120.0° |
| CAT | CAV | H17 | H19 | 120.0° | 120.0° |
| CAT | CAV | H18 | H19 | 120.0° | 120.0° |
| CAT | SAU | CAQ | CAY | 179.8° | 180.0° |
| CAT | SAU | CAQ | NAR | 0.3° | 0.3° |
| SAU | CAT | NAS | NAR | 0.2° | 0.1° |
| SAU | CAT | CAV | H17 | 0.0° | 90.0° |
| SAU | CAT | CAV | H18 | 120.0° | 150.0° |
| SAU | CAT | CAV | H19 | 120.0° | 30.0° |
| CAQ | SAU | CAT | NAS | 0.3° | 0.2° |
| SAU | CAQ | CAY | NAR | 179.9° | 179.6° |
| SAU | CAQ | CAY | NAX | 56.8° | 89.7° |
| SAU | CAQ | NAR | NAS | 0.2° | 0.3° |
| SAU | CAQ | CAY | H15 | 178.1° | 150.3° |
| SAU | CAQ | CAY | H16 | 64.4° | 30.3° |
| CAT | NAS | NAR | CAQ | 0.0° | 0.2° |
| NAS | CAT | CAV | H17 | 179.7° | 89.8° |
| NAS | CAT | CAV | H18 | 59.7° | 30.2° |
| NAS | CAT | CAV | H19 | 60.4° | 150.2° |
| CAQ | CAY | NAX | H15 | 121.2° | 120.0° |
| CAQ | CAY | NAX | H16 | 121.2° | 119.9° |
| CAQ | CAY | NAX | CAW | 92.5° | 180.0° |
| CAY | CAQ | NAR | NAS | 179.9° | 180.0° |
| CAQ | CAY | NAX | H14 | 147.3° | 56.0° |
| CAQ | CAY | H15 | H16 | 116.1° | 120.0° |
| NAR | CAQ | CAY | NAX | 123.3° | 90.0° |
| NAR | CAQ | CAY | H15 | 2.1° | 30.0° |
| NAR | CAQ | CAY | H16 | 115.4° | 150.1° |
| CAY | NAX | CAW | H14 | 120.2° | 123.9° |
| CAY | NAX | CAW | CAA | 179.4° | 180.0° |
| CAY | NAX | CAW | H13 | 58.4° | 60.0° |
| NAX | CAY | H15 | H16 | 116.1° | 120.0° |
| CAY | NAX | CAW | H21 | 59.6° | 60.0° |
| NAX | CAW | CAA | H13 | 121.0° | 120.1° |
| NAX | CAW | CAA | H21 | 121.0° | 120.0° |
| NAX | CAW | CAA | NAB | 176.6° | 180.0° |
| NAX | CAW | CAA | H12 | 55.2° | 60.0° |
| NAX | CAW | H13 | H21 | 116.8° | 120.0° |
| CAW | NAX | CAY | H15 | 28.7° | 60.0° |
| CAW | NAX | CAY | H16 | 146.2° | 60.0° |
| NAX | CAW | CAA | H20 | 62.0° | 60.0° |
| CAW | CAA | NAB | H12 | 121.4° | 120.0° |
| CAW | CAA | NAB | H20 | 121.4° | 120.0° |
| CAW | CAA | NAB | CAG | 78.8° | 90.0° |
| CAW | CAA | NAB | CAC | 101.7° | 90.5° |
| CAW | CAA | H12 | H20 | 115.6° | 120.0° |
| CAA | CAW | H13 | H21 | 116.8° | 120.0° |
| CAA | CAW | NAX | H14 | 60.4° | 56.0° |
| CAA | NAB | CAG | OAI | 0.4° | 0.3° |
| CAA | NAB | CAG | CAC | 179.5° | 179.5° |
| CAA | NAB | CAG | CAF | 179.6° | 180.0° |
| CAA | NAB | CAC | OAH | 0.5° | 0.2° |
| CAA | NAB | CAC | CAD | 179.7° | 180.0° |
| NAB | CAA | H12 | H20 | 115.6° | 120.0° |
| NAB | CAA | CAW | H13 | 62.4° | 60.0° |
| NAB | CAA | CAW | H21 | 55.6° | 60.0° |
| OAI | CAG | NAB | CAF | 180.0° | 179.7° |
| OAI | CAG | NAB | CAC | 179.9° | 179.7° |
| OAI | CAG | CAF | CAM | 0.3° | 0.0° |
| OAI | CAG | CAF | CAE | 179.9° | 180.0° |
| CAG | NAB | CAC | OAH | 180.0° | 179.7° |
| CAG | NAB | CAC | CAD | 0.2° | 0.5° |
| NAB | CAG | CAF | CAM | 179.8° | 179.7° |
| NAB | CAG | CAF | CAE | 0.1° | 0.2° |
| CAG | NAB | CAA | H12 | 159.8° | 150.0° |
| CAG | NAB | CAA | H20 | 42.6° | 30.0° |
| CAC | NAB | CAG | CAF | 0.1° | 0.5° |
| NAB | CAC | OAH | CAD | 179.8° | 179.8° |
| NAB | CAC | CAD | CAE | 0.1° | 0.3° |
| NAB | CAC | CAD | CAN | 179.9° | 179.8° |
| CAC | NAB | CAA | H12 | 19.7° | 29.5° |
| CAC | NAB | CAA | H20 | 136.9° | 149.5° |
| CAG | CAF | CAM | CAE | 179.7° | 179.9° |
| CAG | CAF | CAM | CAL | 179.7° | 179.9° |
| CAG | CAF | CAE | CAD | 0.1° | 0.0° |
| CAG | CAF | CAE | CAJ | 179.7° | 180.0° |
| CAG | CAF | CAM | H1 | 0.2° | 0.0° |
| OAH | CAC | CAD | CAE | 179.9° | 180.0° |
| OAH | CAC | CAD | CAN | 0.1° | 0.0° |
| CAC | CAD | CAE | CAF | 0.1° | 0.0° |
| CAC | CAD | CAE | CAN | 180.0° | 180.0° |
| CAC | CAD | CAE | CAJ | 179.8° | 180.0° |
| CAC | CAD | CAN | CAO | 179.8° | 179.9° |
| CAC | CAD | CAN | H11 | 0.2° | 0.0° |
| CAF | CAM | CAL | H1 | 180.0° | 179.9° |
| CAM | CAF | CAE | CAD | 179.8° | 180.0° |
| CAM | CAF | CAE | CAJ | 0.0° | 0.0° |
| CAF | CAM | CAL | CAK | 0.0° | 0.0° |
| CAF | CAM | CAL | H2 | 180.0° | 180.0° |
| CAE | CAF | CAM | CAL | 0.1° | 0.0° |
| CAF | CAE | CAD | CAJ | 179.8° | 180.0° |
| CAF | CAE | CAD | CAN | 179.9° | 180.0° |
| CAF | CAE | CAJ | CAK | 0.2° | 0.1° |
| CAF | CAE | CAJ | CAP | 180.0° | 179.9° |
| CAE | CAF | CAM | H1 | 179.9° | 179.9° |
| CAM | CAL | CAK | H2 | 180.0° | 179.9° |
| CAM | CAL | CAK | CAJ | 0.1° | 0.0° |
| CAM | CAL | CAK | NAZ | 179.8° | 179.9° |
| CAE | CAD | CAN | CAO | 0.2° | 0.1° |
| CAD | CAE | CAJ | CAK | 180.0° | 179.9° |
| CAD | CAE | CAJ | CAP | 0.2° | 0.1° |
| CAE | CAD | CAN | H11 | 179.8° | 179.9° |
| CAN | CAD | CAE | CAJ | 0.3° | 0.1° |
| CAD | CAN | CAO | H11 | 180.0° | 179.9° |
| CAD | CAN | CAO | CAP | 0.1° | 0.1° |
| CAD | CAN | CAO | H10 | 179.9° | 180.0° |
| CAE | CAJ | CAK | CAL | 0.2° | 0.1° |
| CAE | CAJ | CAK | CAP | 179.8° | 180.0° |
| CAE | CAJ | CAK | NAZ | 179.9° | 180.0° |
| CAE | CAJ | CAP | CAO | 0.1° | 0.1° |
| CAE | CAJ | CAP | H9 | 179.9° | 180.0° |
| CAL | CAK | CAJ | NAZ | 179.7° | 179.9° |
| CAL | CAK | CAJ | CAP | 180.0° | 179.9° |
| CAL | CAK | NAZ | CBB | 87.6° | 63.9° |
| CAL | CAK | NAZ | CBA | 92.9° | 60.0° |
| CAK | CAL | CAM | H1 | 179.9° | 179.9° |
| CAN | CAO | CAP | CAJ | 0.1° | 0.0° |
| CAN | CAO | CAP | H10 | 180.0° | 179.9° |
| CAN | CAO | CAP | H9 | 179.9° | 179.8° |
| CAJ | CAK | NAZ | CBB | 92.6° | 116.0° |
| CAK | CAJ | CAP | CAO | 180.0° | 179.9° |
| CAJ | CAK | NAZ | CBA | 86.8° | 120.1° |
| CAJ | CAK | CAL | H2 | 179.9° | 179.9° |
| CAK | CAJ | CAP | H9 | 0.0° | 0.1° |
| CAP | CAJ | CAK | NAZ | 0.2° | 0.0° |
| CAJ | CAP | CAO | H9 | 180.0° | 179.9° |
| CAJ | CAP | CAO | H10 | 179.9° | 179.9° |
| CAK | NAZ | CBB | CBA | 179.4° | 123.9° |
| NAZ | CAK | CAL | H2 | 0.2° | 0.0° |
| CAK | NAZ | CBA | H3 | 180.0° | 60.0° |
| CAK | NAZ | CBA | H4 | 60.0° | 180.0° |
| CAK | NAZ | CBA | H5 | 60.0° | 60.0° |
| CAK | NAZ | CBB | H6 | 180.0° | 60.1° |
| CAK | NAZ | CBB | H7 | 60.0° | 179.9° |
| CAK | NAZ | CBB | H8 | 60.0° | 59.9° |
| CBB | NAZ | CBA | H3 | 0.6° | 63.9° |
| CBB | NAZ | CBA | H4 | 120.6° | 56.1° |
| CBB | NAZ | CBA | H5 | 119.4° | 176.1° |
| NAZ | CBB | H6 | H7 | 120.0° | 120.0° |
| NAZ | CBB | H6 | H8 | 120.0° | 120.0° |
| NAZ | CBB | H7 | H8 | 120.0° | 120.0° |
| CAP | CAO | CAN | H11 | 179.9° | 180.0° |
| NAZ | CBA | H3 | H4 | 120.0° | 120.0° |
| NAZ | CBA | H3 | H5 | 120.0° | 120.0° |
| NAZ | CBA | H4 | H5 | 120.0° | 120.0° |
| CBA | NAZ | CBB | H6 | 0.6° | 176.1° |
| CBA | NAZ | CBB | H7 | 119.4° | 56.1° |
| CBA | NAZ | CBB | H8 | 120.5° | 63.9° |
| H1 | CAM | CAL | H2 | 0.1° | 0.1° |
| H3 | CBA | H4 | H5 | 120.0° | 120.0° |
| H6 | CBB | H7 | H8 | 120.0° | 120.0° |
| H9 | CAP | CAO | H10 | 0.1° | 0.1° |
| H10 | CAO | CAN | H11 | 0.1° | 0.1° |
| H12 | CAA | CAW | H13 | 176.3° | 179.9° |
| H12 | CAA | CAW | H21 | 65.8° | 60.0° |
| H13 | CAW | NAX | H14 | 178.6° | 64.0° |
| H13 | CAW | CAA | H20 | 59.0° | 60.1° |
| H14 | NAX | CAY | H15 | 91.5° | 64.0° |
| H14 | NAX | CAY | H16 | 26.0° | 176.0° |
| H14 | NAX | CAW | H21 | 60.6° | 176.1° |
| H17 | CAV | H18 | H19 | 120.0° | 120.0° |
| H20 | CAA | CAW | H21 | 177.0° | 180.0° |
