NPN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | trip | 1.14Å | 1.06Å | |
| N | C1 | sing | 1.43Å | 1.56Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C3 | H33 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 141.4° | 180.0° |
| N | C1 | C2 | 110.1° | 109.5° |
| N | C1 | H11 | 111.9° | 109.5° |
| N | C1 | H12 | 112.0° | 109.5° |
| C2 | C1 | H11 | 112.0° | 109.4° |
| C2 | C1 | H12 | 112.0° | 109.4° |
| C1 | C2 | C3 | 111.3° | 109.5° |
| C1 | C2 | H21 | 111.5° | 109.5° |
| C1 | C2 | H22 | 111.5° | 109.5° |
| H11 | C1 | H12 | 98.5° | 109.5° |
| C3 | C2 | H21 | 111.5° | 109.5° |
| C3 | C2 | H22 | 111.5° | 109.5° |
| C2 | C3 | H31 | 111.4° | 109.5° |
| C2 | C3 | H32 | 111.6° | 109.5° |
| C2 | C3 | H33 | 111.5° | 109.5° |
| H21 | C2 | H22 | 98.9° | 109.4° |
| H31 | C3 | H32 | 111.5° | 109.4° |
| H31 | C3 | H33 | 111.5° | 109.4° |
| H32 | C3 | H33 | 98.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | C2 | 117.2° | 180.0° |
| C | N | C1 | H11 | 117.6° | 60.0° |
| C | N | C1 | H12 | 8.1° | 60.0° |
| N | C1 | C2 | H11 | 125.2° | 120.0° |
| N | C1 | C2 | H12 | 125.2° | 120.0° |
| N | C1 | H11 | H12 | 117.9° | 120.1° |
| N | C1 | C2 | C3 | 60.1° | 180.0° |
| N | C1 | C2 | H21 | 65.1° | 60.0° |
| N | C1 | C2 | H22 | 174.7° | 60.0° |
| C2 | C1 | H11 | H12 | 117.9° | 120.0° |
| C1 | C2 | C3 | H21 | 125.2° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 117.4° | 120.0° |
| C1 | C2 | C3 | H31 | 180.0° | 180.0° |
| C1 | C2 | C3 | H32 | 54.7° | 60.0° |
| C1 | C2 | C3 | H33 | 54.7° | 60.0° |
| H11 | C1 | C2 | C3 | 174.7° | 60.0° |
| H11 | C1 | C2 | H21 | 60.1° | 180.0° |
| H11 | C1 | C2 | H22 | 49.4° | 60.0° |
| H12 | C1 | C2 | C3 | 65.2° | 60.0° |
| H12 | C1 | C2 | H21 | 169.6° | 60.0° |
| H12 | C1 | C2 | H22 | 60.1° | 180.0° |
| C3 | C2 | H21 | H22 | 117.4° | 120.0° |
| C2 | C3 | H31 | H32 | 125.4° | 120.0° |
| C2 | C3 | H31 | H33 | 125.3° | 120.0° |
| C2 | C3 | H32 | H33 | 117.4° | 120.0° |
| H21 | C2 | C3 | H31 | 54.7° | 60.0° |
| H21 | C2 | C3 | H32 | 180.0° | 60.0° |
| H21 | C2 | C3 | H33 | 70.5° | 180.0° |
| H22 | C2 | C3 | H31 | 54.8° | 60.0° |
| H22 | C2 | C3 | H32 | 70.5° | 180.0° |
| H22 | C2 | C3 | H33 | 180.0° | 60.0° |
| H31 | C3 | H32 | H33 | 117.3° | 120.0° |
