2BH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NP1 | C02 | sing | 1.47Å | 1.52Å | |
| NP1 | HP12 | sing | 1.01Å | 1.02Å | |
| NP1 | HP11 | sing | 1.01Å | 1.02Å | |
| C02 | C03 | sing | 1.51Å | 1.51Å | |
| C02 | C06 | sing | 1.53Å | 1.53Å | |
| C02 | H02 | sing | 1.09Å | 1.11Å | |
| C03 | O04 | sing | 1.34Å | 1.21Å | |
| C03 | O05 | doub | 1.21Å | 1.35Å | |
| O04 | H04 | sing | 0.97Å | 0.95Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | H061 | sing | 1.09Å | 1.11Å | |
| C06 | H062 | sing | 1.09Å | 1.11Å | |
| C07 | C08 | sing | 1.51Å | 1.52Å | |
| C07 | H071 | sing | 1.09Å | 1.11Å | |
| C07 | H072 | sing | 1.09Å | 1.12Å | |
| C08 | C09 | doub | 1.31Å | 1.38Å | |
| C08 | H08 | sing | 1.08Å | 1.10Å | |
| C09 | B | sing | 1.56Å | 1.52Å | |
| C09 | H09 | sing | 1.08Å | 1.10Å | |
| B | O11 | sing | 1.37Å | 1.42Å | |
| B | O12 | sing | 1.37Å | 1.42Å | |
| B | O13 | sing | 1.37Å | 1.39Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | NP1 | HP12 | 110.0° | 106.7° |
| C02 | NP1 | HP11 | 112.0° | 106.7° |
| NP1 | C02 | C03 | 110.0° | 109.5° |
| NP1 | C02 | C06 | 105.8° | 109.5° |
| NP1 | C02 | H02 | 112.8° | 109.4° |
| HP12 | NP1 | HP11 | 112.0° | 106.7° |
| C03 | C02 | C06 | 112.9° | 109.5° |
| C03 | C02 | H02 | 105.6° | 109.5° |
| C02 | C03 | O04 | 127.4° | 120.0° |
| C02 | C03 | O05 | 108.1° | 120.0° |
| C06 | C02 | H02 | 109.9° | 109.5° |
| C02 | C06 | C07 | 114.0° | 109.5° |
| C02 | C06 | H061 | 110.6° | 109.5° |
| C02 | C06 | H062 | 110.6° | 109.5° |
| O04 | C03 | O05 | 124.6° | 120.0° |
| C03 | O04 | H04 | 127.3° | 120.0° |
| C07 | C06 | H061 | 110.5° | 109.4° |
| C07 | C06 | H062 | 110.5° | 109.5° |
| C06 | C07 | C08 | 113.4° | 109.4° |
| C06 | C07 | H071 | 110.8° | 109.5° |
| C06 | C07 | H072 | 110.8° | 109.5° |
| H061 | C06 | H062 | 99.8° | 109.5° |
| C08 | C07 | H071 | 110.7° | 109.5° |
| C08 | C07 | H072 | 110.7° | 109.5° |
| C07 | C08 | C09 | 124.1° | 120.0° |
| C07 | C08 | H08 | 123.3° | 120.1° |
| H071 | C07 | H072 | 99.5° | 109.5° |
| C09 | C08 | H08 | 112.6° | 119.9° |
| C08 | C09 | B | 122.7° | 120.0° |
| C08 | C09 | H09 | 113.5° | 120.0° |
| B | C09 | H09 | 123.7° | 120.0° |
| C09 | B | O11 | 114.8° | 109.5° |
| C09 | B | O12 | 110.6° | 109.5° |
| C09 | B | O13 | 118.1° | 109.5° |
| O11 | B | O12 | 107.6° | 109.5° |
| O11 | B | O13 | 103.3° | 109.5° |
| B | O11 | H11 | 114.8° | 106.8° |
| O12 | B | O13 | 101.2° | 109.5° |
| B | O12 | H12 | 110.6° | 106.8° |
| B | O13 | H13 | 118.0° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | NP1 | HP12 | HP11 | 125.2° | 113.7° |
| NP1 | C02 | C03 | C06 | 117.9° | 120.0° |
| NP1 | C02 | C03 | H02 | 122.1° | 120.0° |
| NP1 | C02 | C06 | H02 | 122.1° | 120.0° |
| NP1 | C02 | C03 | O04 | 179.9° | 159.9° |
| NP1 | C02 | C03 | O05 | 0.0° | 20.0° |
| NP1 | C02 | C06 | C07 | 58.8° | 65.0° |
| NP1 | C02 | C06 | H061 | 176.0° | 55.0° |
| NP1 | C02 | C06 | H062 | 66.4° | 175.0° |
| HP12 | NP1 | C02 | C03 | 180.0° | 173.8° |
| HP12 | NP1 | C02 | C06 | 57.8° | 53.8° |
| HP12 | NP1 | C02 | H02 | 62.4° | 66.2° |
| HP11 | NP1 | C02 | C03 | 54.8° | 60.0° |
| HP11 | NP1 | C02 | C06 | 67.4° | 60.0° |
| HP11 | NP1 | C02 | H02 | 172.4° | 180.0° |
| C03 | C02 | C06 | H02 | 117.6° | 120.0° |
| C02 | C03 | O04 | O05 | 179.9° | 180.0° |
| C02 | C03 | O04 | H04 | 179.9° | 180.0° |
| C03 | C02 | C06 | C07 | 61.5° | 175.0° |
| C03 | C02 | C06 | H061 | 63.7° | 65.0° |
| C03 | C02 | C06 | H062 | 173.3° | 55.0° |
| C06 | C02 | C03 | O04 | 62.1° | 80.0° |
| C06 | C02 | C03 | O05 | 117.9° | 100.0° |
| C02 | C06 | C07 | H061 | 125.3° | 120.0° |
| C02 | C06 | C07 | H062 | 125.3° | 120.0° |
| C02 | C06 | H061 | H062 | 116.5° | 120.0° |
| C02 | C06 | C07 | C08 | 178.8° | 180.0° |
| C02 | C06 | C07 | H071 | 53.6° | 60.0° |
| C02 | C06 | C07 | H072 | 55.9° | 60.0° |
| H02 | C02 | C03 | O04 | 58.0° | 40.0° |
| H02 | C02 | C03 | O05 | 122.0° | 140.0° |
| H02 | C02 | C06 | C07 | 179.1° | 55.0° |
| H02 | C02 | C06 | H061 | 53.9° | 174.9° |
| H02 | C02 | C06 | H062 | 55.6° | 65.0° |
| O05 | C03 | O04 | H04 | 0.0° | 0.1° |
| C07 | C06 | H061 | H062 | 116.3° | 120.0° |
| C06 | C07 | C08 | H071 | 125.3° | 120.0° |
| C06 | C07 | C08 | H072 | 125.3° | 119.9° |
| C06 | C07 | H071 | H072 | 116.7° | 120.0° |
| C06 | C07 | C08 | C09 | 134.2° | 125.0° |
| C06 | C07 | C08 | H08 | 45.9° | 55.0° |
| H061 | C06 | C07 | C08 | 55.9° | 60.0° |
| H061 | C06 | C07 | H071 | 178.9° | 180.0° |
| H061 | C06 | C07 | H072 | 69.3° | 60.0° |
| H062 | C06 | C07 | C08 | 53.5° | 60.1° |
| H062 | C06 | C07 | H071 | 71.7° | 59.9° |
| H062 | C06 | C07 | H072 | 178.8° | 180.0° |
| C08 | C07 | H071 | H072 | 116.6° | 120.0° |
| C07 | C08 | C09 | H08 | 180.0° | 180.0° |
| C07 | C08 | C09 | B | 177.7° | 180.0° |
| C07 | C08 | C09 | H09 | 2.3° | 0.1° |
| H071 | C07 | C08 | C09 | 100.6° | 5.0° |
| H071 | C07 | C08 | H08 | 79.4° | 175.0° |
| H072 | C07 | C08 | C09 | 8.9° | 115.1° |
| H072 | C07 | C08 | H08 | 171.1° | 65.0° |
| C08 | C09 | B | H09 | 180.0° | 179.9° |
| C08 | C09 | B | O11 | 178.3° | 0.0° |
| C08 | C09 | B | O12 | 59.7° | 120.0° |
| C08 | C09 | B | O13 | 56.1° | 120.0° |
| H08 | C08 | C09 | B | 2.3° | 0.1° |
| H08 | C08 | C09 | H09 | 177.7° | 180.0° |
| C09 | B | O11 | O12 | 123.6° | 120.0° |
| C09 | B | O11 | O13 | 129.9° | 120.0° |
| C09 | B | O12 | O13 | 125.9° | 120.0° |
| C09 | B | O11 | H11 | 179.9° | 60.0° |
| C09 | B | O12 | H12 | 179.9° | 60.0° |
| C09 | B | O13 | H13 | 180.0° | 180.0° |
| H09 | C09 | B | O11 | 1.7° | 179.9° |
| H09 | C09 | B | O12 | 120.3° | 60.0° |
| H09 | C09 | B | O13 | 123.9° | 60.0° |
| O11 | B | O12 | O13 | 107.9° | 120.0° |
| O11 | B | O12 | H12 | 53.8° | 180.0° |
| O11 | B | O13 | H13 | 52.1° | 60.0° |
| O12 | B | O11 | H11 | 56.3° | 180.0° |
| O12 | B | O13 | H13 | 59.2° | 60.0° |
| O13 | B | O11 | H11 | 50.2° | 60.0° |
| O13 | B | O12 | H12 | 54.1° | 60.0° |
