N3F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAR | sing | 1.40Å | 1.35Å | |
| OAB | CAQ | doub | 1.22Å | 1.23Å | |
| CAC | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAR | doub | 1.39Å | 1.38Å | Aromatic |
| CAI | CAT | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | CAN | doub | 1.37Å | 1.40Å | Aromatic |
| CAK | CAS | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAO | sing | 1.37Å | 1.39Å | Aromatic |
| CAL | CAS | doub | 1.39Å | 1.40Å | Aromatic |
| CAM | CAV | doub | 1.39Å | 1.41Å | Aromatic |
| CAN | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAO | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| NAP | CAS | sing | 1.39Å | 1.35Å | |
| NAP | CAV | sing | 1.40Å | 1.35Å | |
| CAQ | CAT | sing | 1.48Å | 1.52Å | |
| CAQ | CAU | sing | 1.47Å | 1.55Å | |
| CAR | CAV | sing | 1.40Å | 1.40Å | Aromatic |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAR | CAH | 119.9° | 120.1° |
| NAA | CAR | CAV | 120.5° | 120.1° |
| CAR | NAA | HNAA | 109.5° | 119.9° |
| CAR | NAA | HNAB | 109.5° | 120.0° |
| OAB | CAQ | CAT | 119.1° | 120.0° |
| OAB | CAQ | CAU | 119.8° | 120.0° |
| CAD | CAC | CAE | 120.4° | 120.3° |
| CAC | CAD | CAI | 120.1° | 120.2° |
| CAD | CAC | HAC | 119.8° | 119.9° |
| CAC | CAD | HAD | 120.0° | 119.9° |
| CAC | CAE | CAJ | 119.4° | 120.1° |
| CAE | CAC | HAC | 119.8° | 119.8° |
| CAC | CAE | HAE | 120.3° | 120.0° |
| CAD | CAI | CAT | 119.5° | 119.8° |
| CAI | CAD | HAD | 119.9° | 119.9° |
| CAD | CAI | HAI | 120.2° | 120.1° |
| CAE | CAJ | CAT | 120.0° | 119.9° |
| CAJ | CAE | HAE | 120.3° | 119.9° |
| CAE | CAJ | HAJ | 120.0° | 120.1° |
| CAG | CAF | CAH | 120.1° | 120.2° |
| CAF | CAG | CAM | 119.2° | 120.2° |
| CAG | CAF | HAF | 119.9° | 119.9° |
| CAF | CAG | HAG | 120.4° | 119.9° |
| CAF | CAH | CAR | 120.9° | 120.0° |
| CAH | CAF | HAF | 119.9° | 119.9° |
| CAF | CAH | HAH | 119.6° | 120.0° |
| CAG | CAM | CAV | 120.8° | 120.0° |
| CAM | CAG | HAG | 120.4° | 119.9° |
| CAG | CAM | HAM | 119.6° | 120.1° |
| CAH | CAR | CAV | 119.5° | 119.8° |
| CAR | CAH | HAH | 119.6° | 120.0° |
| CAI | CAT | CAJ | 120.5° | 119.7° |
| CAI | CAT | CAQ | 120.4° | 120.1° |
| CAT | CAI | HAI | 120.2° | 120.0° |
| CAJ | CAT | CAQ | 119.1° | 120.2° |
| CAT | CAJ | HAJ | 120.0° | 120.0° |
| CAN | CAK | CAS | 119.5° | 120.0° |
| CAK | CAN | CAU | 120.7° | 119.9° |
| CAN | CAK | HAK | 120.2° | 120.0° |
| CAK | CAN | HAN | 119.7° | 120.0° |
| CAK | CAS | CAL | 119.4° | 120.2° |
| CAK | CAS | NAP | 122.3° | 119.9° |
| CAS | CAK | HAK | 120.2° | 120.0° |
| CAO | CAL | CAS | 121.1° | 120.1° |
| CAL | CAO | CAU | 119.4° | 119.9° |
| CAO | CAL | HAL | 119.4° | 119.9° |
| CAL | CAO | HAO | 120.3° | 120.1° |
| CAL | CAS | NAP | 118.3° | 119.9° |
| CAS | CAL | HAL | 119.4° | 120.0° |
| CAM | CAV | NAP | 122.7° | 120.1° |
| CAM | CAV | CAR | 119.4° | 119.8° |
| CAV | CAM | HAM | 119.6° | 120.0° |
| CAN | CAU | CAO | 119.8° | 119.9° |
| CAN | CAU | CAQ | 119.8° | 120.1° |
| CAU | CAN | HAN | 119.6° | 120.0° |
| CAO | CAU | CAQ | 120.4° | 120.0° |
| CAU | CAO | HAO | 120.3° | 120.0° |
| CAS | NAP | CAV | 126.0° | 120.0° |
| CAS | NAP | HNAP | 117.0° | 120.0° |
| NAP | CAV | CAR | 117.9° | 120.1° |
| CAV | NAP | HNAP | 117.0° | 120.0° |
| CAT | CAQ | CAU | 120.9° | 120.0° |
| HNAA | NAA | HNAB | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAR | CAH | CAF | 179.9° | 180.0° |
| NAA | CAR | CAH | CAV | 179.4° | 180.0° |
| NAA | CAR | CAV | CAM | 179.1° | 180.0° |
| NAA | CAR | CAV | NAP | 1.7° | 0.0° |
| CAR | NAA | HNAA | HNAB | 120.0° | 179.7° |
| NAA | CAR | CAH | HAH | 0.1° | 0.1° |
| OAB | CAQ | CAT | CAI | 121.3° | 171.9° |
| OAB | CAQ | CAT | CAJ | 58.2° | 8.1° |
| OAB | CAQ | CAU | CAN | 11.3° | 32.4° |
| OAB | CAQ | CAU | CAO | 166.9° | 147.5° |
| OAB | CAQ | CAT | CAU | 174.5° | 180.0° |
| CAD | CAC | CAE | HAC | 180.0° | 179.7° |
| CAC | CAD | CAI | HAD | 180.0° | 179.9° |
| CAD | CAC | CAE | CAJ | 0.5° | 0.0° |
| CAC | CAD | CAI | CAT | 0.4° | 0.0° |
| CAD | CAC | CAE | HAE | 179.5° | 180.0° |
| CAC | CAD | CAI | HAI | 179.6° | 180.0° |
| CAE | CAC | CAD | CAI | 0.1° | 0.1° |
| CAC | CAE | CAJ | HAE | 180.0° | 180.0° |
| CAC | CAE | CAJ | CAT | 0.4° | 0.0° |
| CAE | CAC | CAD | HAD | 179.9° | 180.0° |
| CAC | CAE | CAJ | HAJ | 179.7° | 180.0° |
| CAD | CAI | CAT | HAI | 180.0° | 180.0° |
| CAD | CAI | CAT | CAJ | 0.5° | 0.0° |
| CAD | CAI | CAT | CAQ | 180.0° | 180.0° |
| CAI | CAD | CAC | HAC | 179.9° | 179.8° |
| CAE | CAJ | CAT | CAI | 0.2° | 0.0° |
| CAE | CAJ | CAT | HAJ | 180.0° | 180.0° |
| CAE | CAJ | CAT | CAQ | 179.7° | 180.0° |
| CAJ | CAE | CAC | HAC | 179.5° | 179.7° |
| CAG | CAF | CAH | HAF | 180.0° | 179.7° |
| CAF | CAG | CAM | HAG | 180.0° | 180.0° |
| CAG | CAF | CAH | CAR | 0.3° | 0.0° |
| CAF | CAG | CAM | CAV | 0.3° | 0.0° |
| CAG | CAF | CAH | HAH | 179.7° | 179.9° |
| CAF | CAG | CAM | HAM | 179.7° | 179.9° |
| CAH | CAF | CAG | CAM | 0.5° | 0.0° |
| CAF | CAH | CAR | HAH | 180.0° | 179.9° |
| CAF | CAH | CAR | CAV | 0.7° | 0.0° |
| CAH | CAF | CAG | HAG | 179.4° | 180.0° |
| CAG | CAM | CAV | HAM | 180.0° | 179.9° |
| CAG | CAM | CAV | NAP | 178.6° | 180.0° |
| CAG | CAM | CAV | CAR | 1.3° | 0.0° |
| CAM | CAG | CAF | HAF | 179.5° | 179.7° |
| CAH | CAR | CAV | CAM | 1.5° | 0.0° |
| CAH | CAR | CAV | NAP | 178.9° | 180.0° |
| CAH | CAR | NAA | HNAA | 180.0° | 0.0° |
| CAH | CAR | NAA | HNAB | 60.0° | 179.7° |
| CAR | CAH | CAF | HAF | 179.7° | 179.7° |
| CAI | CAT | CAJ | CAQ | 179.5° | 180.0° |
| CAI | CAT | CAQ | CAU | 64.3° | 8.1° |
| CAT | CAI | CAD | HAD | 179.6° | 179.9° |
| CAI | CAT | CAJ | HAJ | 179.8° | 180.0° |
| CAJ | CAT | CAQ | CAU | 116.2° | 172.0° |
| CAT | CAJ | CAE | HAE | 179.7° | 180.0° |
| CAJ | CAT | CAI | HAI | 179.5° | 180.0° |
| CAN | CAK | CAS | HAK | 180.0° | 179.7° |
| CAN | CAK | CAS | CAL | 0.1° | 0.1° |
| CAK | CAN | CAU | HAN | 180.0° | 180.0° |
| CAK | CAN | CAU | CAO | 1.1° | 0.0° |
| CAN | CAK | CAS | NAP | 178.8° | 180.0° |
| CAK | CAN | CAU | CAQ | 179.3° | 180.0° |
| CAK | CAS | CAL | CAO | 0.5° | 0.1° |
| CAK | CAS | CAL | NAP | 178.7° | 179.9° |
| CAS | CAK | CAN | CAU | 0.7° | 0.0° |
| CAK | CAS | NAP | CAV | 22.7° | 39.2° |
| CAK | CAS | CAL | HAL | 179.4° | 180.0° |
| CAS | CAK | CAN | HAN | 179.3° | 180.0° |
| CAK | CAS | NAP | HNAP | 157.3° | 140.7° |
| CAO | CAL | CAS | HAL | 180.0° | 179.9° |
| CAL | CAO | CAU | CAN | 0.6° | 0.0° |
| CAL | CAO | CAU | HAO | 180.0° | 180.0° |
| CAO | CAL | CAS | NAP | 179.3° | 180.0° |
| CAL | CAO | CAU | CAQ | 178.8° | 180.0° |
| CAS | CAL | CAO | CAU | 0.2° | 0.0° |
| CAL | CAS | NAP | CAV | 156.0° | 140.7° |
| CAL | CAS | CAK | HAK | 179.9° | 179.7° |
| CAS | CAL | CAO | HAO | 179.8° | 179.9° |
| CAL | CAS | NAP | HNAP | 24.0° | 39.4° |
| CAM | CAV | NAP | CAS | 42.7° | 7.6° |
| CAM | CAV | NAP | CAR | 177.3° | 180.0° |
| CAV | CAM | CAG | HAG | 179.8° | 180.0° |
| CAM | CAV | NAP | HNAP | 137.2° | 172.4° |
| CAN | CAU | CAO | CAQ | 178.2° | 180.0° |
| CAN | CAU | CAQ | CAT | 174.3° | 147.5° |
| CAU | CAN | CAK | HAK | 179.3° | 179.7° |
| CAN | CAU | CAO | HAO | 179.4° | 180.0° |
| CAO | CAU | CAQ | CAT | 7.5° | 32.5° |
| CAU | CAO | CAL | HAL | 179.8° | 179.9° |
| CAO | CAU | CAN | HAN | 179.0° | 180.0° |
| CAS | NAP | CAV | HNAP | 180.0° | 179.9° |
| CAS | NAP | CAV | CAR | 139.9° | 172.4° |
| NAP | CAS | CAK | HAK | 1.3° | 0.2° |
| NAP | CAS | CAL | HAL | 0.7° | 0.1° |
| NAP | CAV | CAM | HAM | 1.4° | 0.0° |
| CAQ | CAT | CAI | HAI | 0.0° | 0.0° |
| CAQ | CAT | CAJ | HAJ | 0.3° | 0.0° |
| CAQ | CAU | CAN | HAN | 0.8° | 0.0° |
| CAQ | CAU | CAO | HAO | 1.2° | 0.0° |
| CAV | CAR | NAA | HNAA | 0.5° | 180.0° |
| CAV | CAR | NAA | HNAB | 119.5° | 0.3° |
| CAV | CAR | CAH | HAH | 179.3° | 180.0° |
| CAR | CAV | CAM | HAM | 178.7° | 179.9° |
| CAR | CAV | NAP | HNAP | 40.1° | 7.6° |
| HAC | CAC | CAD | HAD | 0.1° | 0.3° |
| HAC | CAC | CAE | HAE | 0.5° | 0.3° |
| HAD | CAD | CAI | HAI | 0.4° | 0.1° |
| HAE | CAE | CAJ | HAJ | 0.3° | 0.0° |
| HAF | CAF | CAG | HAG | 0.6° | 0.3° |
| HAF | CAF | CAH | HAH | 0.3° | 0.2° |
| HAG | CAG | CAM | HAM | 0.2° | 0.0° |
| HAK | CAK | CAN | HAN | 0.7° | 0.3° |
| HAL | CAL | CAO | HAO | 0.2° | 0.0° |
