B3H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C11 | doub | 1.21Å | 1.25Å | |
| C11 | C12 | sing | 1.51Å | 1.49Å | |
| C11 | O41 | sing | 1.34Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| O21 | C21 | doub | 1.21Å | 1.25Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | O42 | sing | 1.34Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C41 | O41 | sing | 1.45Å | 1.39Å | |
| C41 | C42 | sing | 1.53Å | 1.51Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | O42 | sing | 1.45Å | 1.46Å | |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C43 | O43 | sing | 1.43Å | 1.46Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| O43 | HO43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C11 | C12 | 120.3° | 119.9° |
| O11 | C11 | O41 | 121.6° | 120.1° |
| C12 | C11 | O41 | 118.0° | 120.0° |
| C11 | C12 | C13 | 111.0° | 109.5° |
| C11 | C12 | H121 | 108.6° | 109.5° |
| C11 | C12 | H122 | 109.0° | 109.4° |
| C11 | O41 | C41 | 112.5° | 120.0° |
| C13 | C12 | H121 | 108.6° | 109.5° |
| C13 | C12 | H122 | 109.0° | 109.5° |
| C12 | C13 | C14 | 110.8° | 109.5° |
| C12 | C13 | H131 | 108.7° | 109.5° |
| C12 | C13 | H132 | 109.0° | 109.5° |
| H121 | C12 | H122 | 110.6° | 109.5° |
| C14 | C13 | H131 | 108.7° | 109.4° |
| C14 | C13 | H132 | 109.0° | 109.5° |
| C13 | C14 | C15 | 110.6° | 109.5° |
| C13 | C14 | H141 | 108.8° | 109.4° |
| C13 | C14 | H142 | 109.1° | 109.5° |
| H131 | C13 | H132 | 110.5° | 109.4° |
| C15 | C14 | H141 | 108.9° | 109.5° |
| C15 | C14 | H142 | 109.1° | 109.5° |
| C14 | C15 | C16 | 111.0° | 109.4° |
| C14 | C15 | H151 | 108.6° | 109.5° |
| C14 | C15 | H152 | 109.0° | 109.5° |
| H141 | C14 | H142 | 110.3° | 109.4° |
| C16 | C15 | H151 | 108.6° | 109.4° |
| C16 | C15 | H152 | 108.9° | 109.4° |
| C15 | C16 | C17 | 111.0° | 109.5° |
| C15 | C16 | H161 | 108.6° | 109.5° |
| C15 | C16 | H162 | 109.0° | 109.5° |
| H151 | C15 | H152 | 110.7° | 109.5° |
| C17 | C16 | H161 | 108.6° | 109.4° |
| C17 | C16 | H162 | 109.0° | 109.4° |
| C16 | C17 | C18 | 110.6° | 109.5° |
| C16 | C17 | H171 | 108.9° | 109.4° |
| C16 | C17 | H172 | 109.1° | 109.4° |
| H161 | C16 | H162 | 110.6° | 109.5° |
| C18 | C17 | H171 | 108.8° | 109.5° |
| C18 | C17 | H172 | 109.1° | 109.5° |
| C17 | C18 | C19 | 111.3° | 109.5° |
| C17 | C18 | H181 | 108.5° | 109.4° |
| C17 | C18 | H182 | 108.9° | 109.5° |
| H171 | C17 | H172 | 110.3° | 109.4° |
| C19 | C18 | H181 | 108.5° | 109.5° |
| C19 | C18 | H182 | 108.9° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.5° | 109.4° |
| C18 | C19 | H193 | 109.5° | 109.4° |
| H181 | C18 | H182 | 110.9° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| O21 | C21 | C22 | 120.6° | 120.0° |
| O21 | C21 | O42 | 119.9° | 120.0° |
| C22 | C21 | O42 | 119.5° | 120.0° |
| C21 | C22 | C23 | 112.5° | 109.5° |
| C21 | C22 | H221 | 107.8° | 109.5° |
| C21 | C22 | H222 | 108.5° | 109.5° |
| C21 | O42 | C42 | 113.8° | 120.0° |
| C23 | C22 | H221 | 107.8° | 109.5° |
| C23 | C22 | H222 | 108.5° | 109.4° |
| C22 | C23 | C24 | 111.3° | 109.5° |
| C22 | C23 | H231 | 108.5° | 109.5° |
| C22 | C23 | H232 | 108.9° | 109.5° |
| H221 | C22 | H222 | 111.8° | 109.5° |
| C24 | C23 | H231 | 108.4° | 109.4° |
| C24 | C23 | H232 | 108.9° | 109.5° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| H231 | C23 | H232 | 110.9° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.4° | 109.5° |
| H242 | C24 | H243 | 109.4° | 109.5° |
| O41 | C41 | C42 | 111.2° | 109.5° |
| O41 | C41 | H411 | 108.5° | 109.5° |
| O41 | C41 | H412 | 108.9° | 109.5° |
| C42 | C41 | H411 | 108.5° | 109.5° |
| C42 | C41 | H412 | 108.9° | 109.5° |
| C41 | C42 | O42 | 110.4° | 109.5° |
| C41 | C42 | C43 | 109.6° | 109.5° |
| C41 | C42 | H42 | 109.2° | 109.5° |
| H411 | C41 | H412 | 110.9° | 109.5° |
| O42 | C42 | C43 | 110.6° | 109.4° |
| O42 | C42 | H42 | 108.1° | 109.5° |
| C43 | C42 | H42 | 108.9° | 109.5° |
| C42 | C43 | O43 | 112.3° | 109.4° |
| C42 | C43 | H431 | 107.9° | 109.4° |
| C42 | C43 | H432 | 108.5° | 109.5° |
| O43 | C43 | H431 | 107.9° | 109.5° |
| O43 | C43 | H432 | 108.5° | 109.5° |
| C43 | O43 | HO43 | 109.5° | 106.8° |
| H431 | C43 | H432 | 111.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C11 | C12 | O41 | 176.2° | 180.0° |
| O11 | C11 | C12 | C13 | 80.3° | 0.0° |
| O11 | C11 | C12 | H121 | 160.4° | 120.0° |
| O11 | C11 | C12 | H122 | 39.7° | 120.0° |
| O11 | C11 | O41 | C41 | 20.9° | 0.0° |
| C11 | C12 | C13 | H121 | 119.4° | 120.0° |
| C11 | C12 | C13 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H122 | 119.6° | 120.0° |
| C11 | C12 | C13 | C14 | 163.1° | 180.0° |
| C11 | C12 | C13 | H131 | 77.5° | 60.0° |
| C11 | C12 | C13 | H132 | 43.1° | 60.0° |
| C12 | C11 | O41 | C41 | 163.0° | 180.0° |
| O41 | C11 | C12 | C13 | 96.0° | 180.0° |
| O41 | C11 | C12 | H121 | 23.4° | 60.0° |
| O41 | C11 | C12 | H122 | 144.1° | 60.0° |
| C11 | O41 | C41 | C42 | 166.1° | 180.0° |
| C11 | O41 | C41 | H411 | 74.6° | 60.0° |
| C11 | O41 | C41 | H412 | 46.1° | 59.9° |
| C13 | C12 | H121 | H122 | 119.6° | 120.0° |
| C12 | C13 | C14 | H131 | 119.4° | 120.0° |
| C12 | C13 | C14 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H132 | 119.6° | 120.0° |
| C12 | C13 | C14 | C15 | 175.5° | 180.0° |
| C12 | C13 | C14 | H141 | 55.9° | 60.0° |
| C12 | C13 | C14 | H142 | 64.5° | 59.9° |
| H121 | C12 | C13 | C14 | 43.7° | 60.0° |
| H121 | C12 | C13 | H131 | 163.1° | 180.0° |
| H121 | C12 | C13 | H132 | 76.3° | 60.0° |
| H122 | C12 | C13 | C14 | 76.9° | 60.0° |
| H122 | C12 | C13 | H131 | 42.5° | 60.0° |
| H122 | C12 | C13 | H132 | 163.1° | 180.0° |
| C14 | C13 | H131 | H132 | 119.6° | 120.0° |
| C13 | C14 | C15 | H141 | 119.5° | 120.0° |
| C13 | C14 | C15 | H142 | 120.0° | 120.1° |
| C13 | C14 | H141 | H142 | 119.7° | 120.0° |
| C13 | C14 | C15 | C16 | 177.5° | 180.0° |
| C13 | C14 | C15 | H151 | 63.2° | 60.1° |
| C13 | C14 | C15 | H152 | 57.5° | 60.0° |
| H131 | C13 | C14 | C15 | 65.1° | 60.0° |
| H131 | C13 | C14 | H141 | 175.4° | 180.0° |
| H131 | C13 | C14 | H142 | 54.9° | 60.1° |
| H132 | C13 | C14 | C15 | 55.5° | 60.0° |
| H132 | C13 | C14 | H141 | 64.1° | 60.1° |
| H132 | C13 | C14 | H142 | 175.5° | 180.0° |
| C15 | C14 | H141 | H142 | 119.7° | 120.0° |
| C14 | C15 | C16 | H151 | 119.3° | 120.0° |
| C14 | C15 | C16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 119.6° | 120.1° |
| C14 | C15 | C16 | C17 | 178.4° | 180.0° |
| C14 | C15 | C16 | H161 | 59.1° | 60.1° |
| C14 | C15 | C16 | H162 | 61.6° | 60.0° |
| H141 | C14 | C15 | C16 | 58.0° | 60.0° |
| H141 | C14 | C15 | H151 | 177.3° | 180.0° |
| H141 | C14 | C15 | H152 | 62.0° | 60.0° |
| H142 | C14 | C15 | C16 | 62.5° | 60.0° |
| H142 | C14 | C15 | H151 | 56.8° | 60.0° |
| H142 | C14 | C15 | H152 | 177.5° | 179.9° |
| C16 | C15 | H151 | H152 | 119.6° | 120.0° |
| C15 | C16 | C17 | H161 | 119.4° | 120.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 119.6° | 120.1° |
| C15 | C16 | C17 | C18 | 177.5° | 180.0° |
| C15 | C16 | C17 | H171 | 63.0° | 60.0° |
| C15 | C16 | C17 | H172 | 57.5° | 59.9° |
| H151 | C15 | C16 | C17 | 62.2° | 60.0° |
| H151 | C15 | C16 | H161 | 178.4° | 180.0° |
| H151 | C15 | C16 | H162 | 57.8° | 59.9° |
| H152 | C15 | C16 | C17 | 58.4° | 60.0° |
| H152 | C15 | C16 | H161 | 60.9° | 59.9° |
| H152 | C15 | C16 | H162 | 178.5° | 180.0° |
| C17 | C16 | H161 | H162 | 119.6° | 120.0° |
| C16 | C17 | C18 | H171 | 119.5° | 120.0° |
| C16 | C17 | C18 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 119.7° | 119.9° |
| C16 | C17 | C18 | C19 | 177.3° | 180.0° |
| C16 | C17 | C18 | H181 | 58.0° | 60.0° |
| C16 | C17 | C18 | H182 | 62.7° | 60.0° |
| H161 | C16 | C17 | C18 | 58.1° | 60.0° |
| H161 | C16 | C17 | H171 | 177.7° | 180.0° |
| H161 | C16 | C17 | H172 | 61.9° | 60.0° |
| H162 | C16 | C17 | C18 | 62.5° | 60.0° |
| H162 | C16 | C17 | H171 | 57.0° | 60.0° |
| H162 | C16 | C17 | H172 | 177.5° | 179.9° |
| C18 | C17 | H171 | H172 | 119.7° | 120.1° |
| C17 | C18 | C19 | H181 | 119.3° | 120.0° |
| C17 | C18 | C19 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 119.5° | 120.0° |
| C17 | C18 | C19 | H191 | 87.1° | 60.0° |
| C17 | C18 | C19 | H192 | 152.9° | 180.0° |
| C17 | C18 | C19 | H193 | 32.9° | 60.0° |
| H171 | C17 | C18 | C19 | 63.2° | 60.0° |
| H171 | C17 | C18 | H181 | 177.6° | 180.0° |
| H171 | C17 | C18 | H182 | 56.9° | 60.0° |
| H172 | C17 | C18 | C19 | 57.3° | 60.0° |
| H172 | C17 | C18 | H181 | 62.0° | 60.0° |
| H172 | C17 | C18 | H182 | 177.3° | 180.0° |
| C19 | C18 | H181 | H182 | 119.5° | 120.0° |
| C18 | C19 | H191 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| H181 | C18 | C19 | H191 | 32.1° | 180.0° |
| H181 | C18 | C19 | H192 | 87.9° | 60.0° |
| H181 | C18 | C19 | H193 | 152.1° | 60.0° |
| H182 | C18 | C19 | H191 | 152.9° | 60.0° |
| H182 | C18 | C19 | H192 | 32.9° | 60.0° |
| H182 | C18 | C19 | H193 | 87.1° | 180.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| O21 | C21 | C22 | O42 | 179.4° | 180.0° |
| O21 | C21 | C22 | C23 | 67.0° | 0.0° |
| O21 | C21 | C22 | H221 | 174.3° | 120.0° |
| O21 | C21 | C22 | H222 | 53.1° | 120.0° |
| O21 | C21 | O42 | C42 | 105.5° | 0.0° |
| C21 | C22 | C23 | H221 | 118.7° | 120.0° |
| C21 | C22 | C23 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 119.2° | 120.0° |
| C21 | C22 | C23 | C24 | 127.9° | 180.0° |
| C21 | C22 | C23 | H231 | 112.9° | 60.0° |
| C21 | C22 | C23 | H232 | 7.8° | 60.0° |
| C22 | C21 | O42 | C42 | 75.1° | 180.0° |
| O42 | C21 | C22 | C23 | 112.4° | 180.0° |
| O42 | C21 | C22 | H221 | 6.3° | 60.0° |
| O42 | C21 | C22 | H222 | 127.6° | 60.0° |
| C21 | O42 | C42 | C41 | 126.8° | 150.0° |
| C21 | O42 | C42 | C43 | 111.7° | 90.0° |
| C21 | O42 | C42 | H42 | 7.5° | 29.9° |
| C23 | C22 | H221 | H222 | 119.2° | 120.0° |
| C22 | C23 | C24 | H231 | 119.2° | 120.0° |
| C22 | C23 | C24 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 119.5° | 120.0° |
| C22 | C23 | C24 | H241 | 48.7° | 60.0° |
| C22 | C23 | C24 | H242 | 168.8° | 60.0° |
| C22 | C23 | C24 | H243 | 71.2° | 180.0° |
| H221 | C22 | C23 | C24 | 9.1° | 60.0° |
| H221 | C22 | C23 | H231 | 128.4° | 180.0° |
| H221 | C22 | C23 | H232 | 110.9° | 60.0° |
| H222 | C22 | C23 | C24 | 112.1° | 60.0° |
| H222 | C22 | C23 | H231 | 7.1° | 60.0° |
| H222 | C22 | C23 | H232 | 127.9° | 180.0° |
| C24 | C23 | H231 | H232 | 119.5° | 120.0° |
| C23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H243 | 120.0° | 120.0° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| H231 | C23 | C24 | H241 | 70.5° | 180.0° |
| H231 | C23 | C24 | H242 | 49.6° | 60.0° |
| H231 | C23 | C24 | H243 | 169.5° | 60.0° |
| H232 | C23 | C24 | H241 | 168.8° | 60.0° |
| H232 | C23 | C24 | H242 | 71.2° | 180.0° |
| H232 | C23 | C24 | H243 | 48.8° | 60.0° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| O41 | C41 | C42 | H411 | 119.3° | 120.0° |
| O41 | C41 | C42 | H412 | 120.0° | 120.0° |
| O41 | C41 | H411 | H412 | 119.5° | 120.0° |
| O41 | C41 | C42 | O42 | 41.5° | 65.0° |
| O41 | C41 | C42 | C43 | 163.6° | 55.0° |
| O41 | C41 | C42 | H42 | 77.2° | 175.0° |
| C42 | C41 | H411 | H412 | 119.5° | 120.0° |
| C41 | C42 | O42 | C43 | 121.4° | 120.0° |
| C41 | C42 | O42 | H42 | 119.4° | 120.1° |
| C41 | C42 | C43 | H42 | 119.4° | 120.0° |
| C41 | C42 | C43 | O43 | 50.0° | 55.0° |
| C41 | C42 | C43 | H431 | 68.8° | 65.0° |
| C41 | C42 | C43 | H432 | 170.0° | 175.0° |
| H411 | C41 | C42 | O42 | 160.8° | 175.0° |
| H411 | C41 | C42 | C43 | 77.2° | 65.0° |
| H411 | C41 | C42 | H42 | 42.1° | 55.0° |
| H412 | C41 | C42 | O42 | 78.5° | 55.0° |
| H412 | C41 | C42 | C43 | 43.6° | 175.0° |
| H412 | C41 | C42 | H42 | 162.8° | 65.0° |
| O42 | C42 | C43 | H42 | 118.7° | 120.0° |
| O42 | C42 | C43 | O43 | 171.9° | 65.0° |
| O42 | C42 | C43 | H431 | 53.1° | 175.0° |
| O42 | C42 | C43 | H432 | 68.1° | 55.0° |
| C42 | C43 | O43 | H431 | 118.8° | 119.9° |
| C42 | C43 | O43 | H432 | 120.0° | 120.0° |
| C42 | C43 | H431 | H432 | 119.2° | 119.9° |
| C42 | C43 | O43 | HO43 | 169.6° | 180.0° |
| H42 | C42 | C43 | O43 | 69.4° | 175.0° |
| H42 | C42 | C43 | H431 | 171.8° | 55.0° |
| H42 | C42 | C43 | H432 | 50.6° | 65.0° |
| O43 | C43 | H431 | H432 | 119.2° | 120.1° |
| H431 | C43 | O43 | HO43 | 50.8° | 60.1° |
| H432 | C43 | O43 | HO43 | 70.4° | 60.0° |
