CH4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CA | CB1 | sing | 1.53Å | 1.54Å | |
CA | CB2 | sing | 1.53Å | 1.53Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.09Å | |
CB1 | NG1 | sing | 1.47Å | 1.48Å | |
CB1 | HB12 | sing | 1.09Å | 1.09Å | |
CB1 | HB13 | sing | 1.09Å | 1.09Å | |
NG1 | CD1 | sing | 1.47Å | 1.47Å | |
NG1 | HG1 | sing | 1.01Å | 1.01Å | |
CD1 | CE1 | sing | 1.53Å | 1.52Å | |
CD1 | HD12 | sing | 1.09Å | 1.09Å | |
CD1 | HD13 | sing | 1.09Å | 1.08Å | |
CE1 | NZ1 | sing | 1.47Å | 1.47Å | |
CE1 | HE12 | sing | 1.09Å | 1.09Å | |
CE1 | HE13 | sing | 1.09Å | 1.09Å | |
NZ1 | HZ11 | sing | 1.01Å | 1.01Å | |
NZ1 | HZ12 | sing | 1.01Å | 1.01Å | |
CB2 | NG2 | sing | 1.47Å | 1.47Å | |
CB2 | HB22 | sing | 1.09Å | 1.09Å | |
CB2 | HB23 | sing | 1.09Å | 1.09Å | |
NG2 | CD2 | sing | 1.47Å | 1.47Å | |
NG2 | HG2 | sing | 1.01Å | 1.02Å | |
CD2 | CE2 | sing | 1.53Å | 1.53Å | |
CD2 | HD22 | sing | 1.09Å | 1.09Å | |
CD2 | HD23 | sing | 1.09Å | 1.09Å | |
CE2 | NZ2 | sing | 1.47Å | 1.47Å | |
CE2 | HE22 | sing | 1.09Å | 1.09Å | |
CE2 | HE23 | sing | 1.09Å | 1.09Å | |
NZ2 | HZ21 | sing | 1.01Å | 1.01Å | |
NZ2 | HZ22 | sing | 1.01Å | 1.01Å | |
C | O | doub | 1.21Å | 1.23Å | |
C | H | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CB1 | CA | CB2 | 103.3° | 109.5° |
CB1 | CA | C | 113.3° | 109.5° |
CB1 | CA | HA | 109.5° | 109.5° |
CA | CB1 | NG1 | 115.0° | 109.5° |
CA | CB1 | HB12 | 108.5° | 109.5° |
CA | CB1 | HB13 | 108.1° | 109.5° |
CB2 | CA | C | 112.4° | 109.5° |
CB2 | CA | HA | 109.0° | 109.5° |
CA | CB2 | NG2 | 113.1° | 109.5° |
CA | CB2 | HB22 | 107.8° | 109.5° |
CA | CB2 | HB23 | 108.7° | 109.5° |
C | CA | HA | 109.2° | 109.5° |
CA | C | O | 121.0° | 120.0° |
CA | C | H | 130.4° | 120.0° |
NG1 | CB1 | HB12 | 108.6° | 109.5° |
NG1 | CB1 | HB13 | 108.3° | 109.5° |
CB1 | NG1 | CD1 | 111.0° | 106.7° |
CB1 | NG1 | HG1 | 109.2° | 106.6° |
HB12 | CB1 | HB13 | 108.2° | 109.5° |
CD1 | NG1 | HG1 | 110.7° | 106.7° |
NG1 | CD1 | CE1 | 112.1° | 109.5° |
NG1 | CD1 | HD12 | 110.1° | 109.5° |
NG1 | CD1 | HD13 | 108.3° | 109.5° |
CE1 | CD1 | HD12 | 109.4° | 109.5° |
CE1 | CD1 | HD13 | 107.9° | 109.5° |
CD1 | CE1 | NZ1 | 110.3° | 109.5° |
CD1 | CE1 | HE12 | 109.2° | 109.5° |
CD1 | CE1 | HE13 | 109.1° | 109.5° |
HD12 | CD1 | HD13 | 109.0° | 109.4° |
NZ1 | CE1 | HE12 | 110.2° | 109.5° |
NZ1 | CE1 | HE13 | 109.4° | 109.4° |
CE1 | NZ1 | HZ11 | 108.5° | 106.7° |
CE1 | NZ1 | HZ12 | 109.6° | 106.7° |
HE12 | CE1 | HE13 | 108.6° | 109.5° |
HZ11 | NZ1 | HZ12 | 110.4° | 106.7° |
NG2 | CB2 | HB22 | 107.9° | 109.4° |
NG2 | CB2 | HB23 | 110.1° | 109.5° |
CB2 | NG2 | CD2 | 112.3° | 106.7° |
CB2 | NG2 | HG2 | 113.0° | 106.7° |
HB22 | CB2 | HB23 | 109.1° | 109.5° |
CD2 | NG2 | HG2 | 112.8° | 106.7° |
NG2 | CD2 | CE2 | 109.8° | 109.4° |
NG2 | CD2 | HD22 | 109.3° | 109.5° |
NG2 | CD2 | HD23 | 109.6° | 109.4° |
CE2 | CD2 | HD22 | 110.1° | 109.5° |
CE2 | CD2 | HD23 | 109.3° | 109.5° |
CD2 | CE2 | NZ2 | 109.6° | 109.4° |
CD2 | CE2 | HE22 | 108.8° | 109.5° |
CD2 | CE2 | HE23 | 110.0° | 109.5° |
HD22 | CD2 | HD23 | 108.9° | 109.5° |
NZ2 | CE2 | HE22 | 108.7° | 109.5° |
NZ2 | CE2 | HE23 | 110.5° | 109.4° |
CE2 | NZ2 | HZ21 | 106.3° | 106.7° |
CE2 | NZ2 | HZ22 | 107.7° | 106.7° |
HE22 | CE2 | HE23 | 109.2° | 109.5° |
HZ21 | NZ2 | HZ22 | 105.6° | 106.7° |
O | C | H | 108.6° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CB1 | CA | CB2 | C | 122.4° | 120.0° |
CB1 | CA | CB2 | HA | 116.3° | 120.0° |
CB1 | CA | C | HA | 122.3° | 120.0° |
CA | CB1 | NG1 | HB12 | 121.7° | 120.0° |
CA | CB1 | NG1 | HB13 | 121.0° | 120.0° |
CA | CB1 | HB12 | HB13 | 117.1° | 120.0° |
CA | CB1 | NG1 | CD1 | 48.2° | 180.0° |
CA | CB1 | NG1 | HG1 | 74.1° | 66.2° |
CB1 | CA | CB2 | NG2 | 158.3° | 175.0° |
CB1 | CA | CB2 | HB22 | 39.0° | 55.0° |
CB1 | CA | CB2 | HB23 | 79.1° | 65.1° |
CB1 | CA | C | O | 98.3° | 120.0° |
CB1 | CA | C | H | 81.6° | 60.0° |
CB2 | CA | C | HA | 121.1° | 120.0° |
CB2 | CA | CB1 | NG1 | 177.4° | 175.0° |
CB2 | CA | CB1 | HB12 | 60.9° | 55.0° |
CB2 | CA | CB1 | HB13 | 56.3° | 65.0° |
CA | CB2 | NG2 | HB22 | 119.2° | 120.0° |
CA | CB2 | NG2 | HB23 | 121.8° | 120.0° |
CA | CB2 | HB22 | HB23 | 117.9° | 120.0° |
CA | CB2 | NG2 | CD2 | 104.6° | 180.0° |
CA | CB2 | NG2 | HG2 | 24.5° | 66.2° |
CB2 | CA | C | O | 18.3° | 120.0° |
CB2 | CA | C | H | 161.8° | 60.0° |
C | CA | CB1 | NG1 | 60.7° | 65.0° |
C | CA | CB1 | HB12 | 61.0° | 175.0° |
C | CA | CB1 | HB13 | 178.2° | 55.0° |
C | CA | CB2 | NG2 | 79.3° | 65.0° |
C | CA | CB2 | HB22 | 161.4° | 175.0° |
C | CA | CB2 | HB23 | 43.3° | 55.0° |
CA | C | O | H | 180.0° | 180.0° |
HA | CA | CB1 | NG1 | 61.4° | 55.0° |
HA | CA | CB1 | HB12 | 176.8° | 65.0° |
HA | CA | CB1 | HB13 | 59.7° | 175.0° |
HA | CA | CB2 | NG2 | 42.0° | 55.0° |
HA | CA | CB2 | HB22 | 77.3° | 65.0° |
HA | CA | CB2 | HB23 | 164.6° | 175.0° |
HA | CA | C | O | 139.4° | 0.0° |
HA | CA | C | H | 40.6° | 180.0° |
NG1 | CB1 | HB12 | HB13 | 117.3° | 120.0° |
CB1 | NG1 | CD1 | HG1 | 121.4° | 113.7° |
CB1 | NG1 | CD1 | CE1 | 77.1° | 180.0° |
CB1 | NG1 | CD1 | HD12 | 160.9° | 60.0° |
CB1 | NG1 | CD1 | HD13 | 41.8° | 59.9° |
HB12 | CB1 | NG1 | CD1 | 170.0° | 60.0° |
HB12 | CB1 | NG1 | HG1 | 47.6° | 173.8° |
HB13 | CB1 | NG1 | CD1 | 72.7° | 59.9° |
HB13 | CB1 | NG1 | HG1 | 165.0° | 53.8° |
NG1 | CD1 | CE1 | HD12 | 122.4° | 120.0° |
NG1 | CD1 | CE1 | HD13 | 119.1° | 120.0° |
NG1 | CD1 | HD12 | HD13 | 118.6° | 120.0° |
NG1 | CD1 | CE1 | NZ1 | 74.7° | 180.0° |
NG1 | CD1 | CE1 | HE12 | 46.5° | 60.0° |
NG1 | CD1 | CE1 | HE13 | 165.1° | 60.0° |
HG1 | NG1 | CD1 | CE1 | 161.5° | 66.2° |
HG1 | NG1 | CD1 | HD12 | 39.5° | 173.8° |
HG1 | NG1 | CD1 | HD13 | 79.6° | 53.8° |
CE1 | CD1 | HD12 | HD13 | 117.7° | 120.0° |
CD1 | CE1 | NZ1 | HE12 | 120.6° | 120.0° |
CD1 | CE1 | NZ1 | HE13 | 120.0° | 120.0° |
CD1 | CE1 | HE12 | HE13 | 118.9° | 120.0° |
CD1 | CE1 | NZ1 | HZ11 | 61.0° | 180.0° |
CD1 | CE1 | NZ1 | HZ12 | 178.3° | 66.3° |
HD12 | CD1 | CE1 | NZ1 | 47.7° | 60.0° |
HD12 | CD1 | CE1 | HE12 | 168.9° | 180.0° |
HD12 | CD1 | CE1 | HE13 | 72.5° | 60.0° |
HD13 | CD1 | CE1 | NZ1 | 166.2° | 60.0° |
HD13 | CD1 | CE1 | HE12 | 72.6° | 60.0° |
HD13 | CD1 | CE1 | HE13 | 46.0° | 180.0° |
NZ1 | CE1 | HE12 | HE13 | 119.9° | 120.0° |
CE1 | NZ1 | HZ11 | HZ12 | 120.2° | 113.7° |
HE12 | CE1 | NZ1 | HZ11 | 59.6° | 60.0° |
HE12 | CE1 | NZ1 | HZ12 | 61.0° | 53.7° |
HE13 | CE1 | NZ1 | HZ11 | 179.0° | 60.0° |
HE13 | CE1 | NZ1 | HZ12 | 58.4° | 173.7° |
NG2 | CB2 | HB22 | HB23 | 119.6° | 120.0° |
CB2 | NG2 | CD2 | HG2 | 129.1° | 113.7° |
CB2 | NG2 | CD2 | CE2 | 102.8° | 180.0° |
CB2 | NG2 | CD2 | HD22 | 18.0° | 60.0° |
CB2 | NG2 | CD2 | HD23 | 137.2° | 60.0° |
HB22 | CB2 | NG2 | CD2 | 136.2° | 60.0° |
HB22 | CB2 | NG2 | HG2 | 94.7° | 173.7° |
HB23 | CB2 | NG2 | CD2 | 17.3° | 60.0° |
HB23 | CB2 | NG2 | HG2 | 146.3° | 53.7° |
NG2 | CD2 | CE2 | HD22 | 120.3° | 120.0° |
NG2 | CD2 | CE2 | HD23 | 120.2° | 119.9° |
NG2 | CD2 | HD22 | HD23 | 119.6° | 120.0° |
NG2 | CD2 | CE2 | NZ2 | 37.9° | 180.0° |
NG2 | CD2 | CE2 | HE22 | 80.8° | 60.0° |
NG2 | CD2 | CE2 | HE23 | 159.6° | 60.1° |
HG2 | NG2 | CD2 | CE2 | 128.0° | 66.2° |
HG2 | NG2 | CD2 | HD22 | 111.1° | 173.7° |
HG2 | NG2 | CD2 | HD23 | 8.1° | 53.7° |
CE2 | CD2 | HD22 | HD23 | 119.7° | 120.0° |
CD2 | CE2 | NZ2 | HE22 | 118.8° | 120.0° |
CD2 | CE2 | NZ2 | HE23 | 121.3° | 120.0° |
CD2 | CE2 | HE22 | HE23 | 120.1° | 120.0° |
CD2 | CE2 | NZ2 | HZ21 | 58.6° | 66.3° |
CD2 | CE2 | NZ2 | HZ22 | 54.2° | 179.9° |
HD22 | CD2 | CE2 | NZ2 | 82.4° | 60.0° |
HD22 | CD2 | CE2 | HE22 | 158.9° | 180.0° |
HD22 | CD2 | CE2 | HE23 | 39.2° | 60.0° |
HD23 | CD2 | CE2 | NZ2 | 158.1° | 60.1° |
HD23 | CD2 | CE2 | HE22 | 39.4° | 60.0° |
HD23 | CD2 | CE2 | HE23 | 80.3° | 180.0° |
NZ2 | CE2 | HE22 | HE23 | 120.6° | 120.0° |
CE2 | NZ2 | HZ21 | HZ22 | 114.3° | 113.7° |
HE22 | CE2 | NZ2 | HZ21 | 60.2° | 53.7° |
HE22 | CE2 | NZ2 | HZ22 | 173.0° | 60.0° |
HE23 | CE2 | NZ2 | HZ21 | 179.9° | 173.7° |
HE23 | CE2 | NZ2 | HZ22 | 67.1° | 60.0° |