IGB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F12 | C11 | sing | 1.40Å | 1.36Å | |
| F13 | C11 | sing | 1.40Å | 1.36Å | |
| F15 | C10 | sing | 1.40Å | 1.36Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C11 | F14 | sing | 1.40Å | 1.37Å | |
| C10 | C09 | sing | 1.53Å | 1.51Å | |
| C10 | F16 | sing | 1.40Å | 1.36Å | |
| F18 | C09 | sing | 1.40Å | 1.37Å | |
| F05 | C04 | sing | 1.40Å | 1.37Å | |
| O08 | C09 | sing | 1.43Å | 1.40Å | |
| O08 | C03 | sing | 1.43Å | 1.39Å | |
| C09 | F17 | sing | 1.40Å | 1.36Å | |
| F19 | C03 | sing | 1.40Å | 1.37Å | |
| C03 | C04 | sing | 1.53Å | 1.48Å | |
| C03 | C01 | sing | 1.51Å | 1.53Å | |
| C04 | F07 | sing | 1.40Å | 1.36Å | |
| C04 | F06 | sing | 1.40Å | 1.37Å | |
| C01 | O20 | doub | 1.21Å | 1.26Å | |
| C01 | O02 | sing | 1.34Å | 1.26Å | |
| O02 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F12 | C11 | F13 | 105.0° | 109.5° |
| F12 | C11 | C10 | 109.1° | 109.5° |
| F12 | C11 | F14 | 116.7° | 109.5° |
| F13 | C11 | C10 | 111.8° | 109.5° |
| F13 | C11 | F14 | 112.6° | 109.5° |
| F15 | C10 | C11 | 107.7° | 109.5° |
| F15 | C10 | C09 | 111.2° | 109.5° |
| F15 | C10 | F16 | 113.5° | 109.4° |
| C10 | C11 | F14 | 101.8° | 109.5° |
| C11 | C10 | C09 | 110.7° | 109.5° |
| C11 | C10 | F16 | 110.6° | 109.5° |
| C09 | C10 | F16 | 103.2° | 109.5° |
| C10 | C09 | F18 | 111.2° | 109.5° |
| C10 | C09 | O08 | 102.2° | 109.5° |
| C10 | C09 | F17 | 109.1° | 109.5° |
| F18 | C09 | O08 | 113.7° | 109.4° |
| F18 | C09 | F17 | 107.8° | 109.5° |
| F05 | C04 | C03 | 105.5° | 109.5° |
| F05 | C04 | F07 | 110.6° | 109.4° |
| F05 | C04 | F06 | 112.3° | 109.5° |
| C09 | O08 | C03 | 122.6° | 114.0° |
| O08 | C09 | F17 | 112.8° | 109.5° |
| O08 | C03 | F19 | 107.8° | 109.5° |
| O08 | C03 | C04 | 110.7° | 109.5° |
| O08 | C03 | C01 | 114.6° | 109.5° |
| F19 | C03 | C04 | 101.1° | 109.5° |
| F19 | C03 | C01 | 110.9° | 109.5° |
| C04 | C03 | C01 | 110.9° | 109.4° |
| C03 | C04 | F07 | 102.5° | 109.5° |
| C03 | C04 | F06 | 110.6° | 109.5° |
| C03 | C01 | O20 | 119.8° | 120.0° |
| C03 | C01 | O02 | 121.4° | 120.0° |
| F07 | C04 | F06 | 114.5° | 109.5° |
| O20 | C01 | O02 | 118.8° | 120.0° |
| C01 | O02 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F12 | C11 | F13 | C10 | 118.2° | 120.0° |
| F12 | C11 | F13 | F14 | 128.0° | 120.0° |
| F12 | C11 | C10 | F15 | 56.1° | 60.0° |
| F12 | C11 | C10 | F14 | 123.9° | 120.0° |
| F12 | C11 | C10 | C09 | 65.6° | 180.0° |
| F12 | C11 | C10 | F16 | 179.4° | 60.0° |
| F13 | C11 | C10 | F15 | 59.6° | 180.0° |
| F13 | C11 | C10 | F14 | 120.4° | 120.0° |
| F13 | C11 | C10 | C09 | 178.6° | 60.0° |
| F13 | C11 | C10 | F16 | 64.9° | 60.1° |
| F15 | C10 | C11 | C09 | 121.7° | 120.0° |
| F15 | C10 | C11 | F16 | 124.5° | 119.9° |
| F15 | C10 | C11 | F14 | 180.0° | 60.0° |
| F15 | C10 | C09 | F16 | 122.0° | 120.0° |
| F15 | C10 | C09 | F18 | 87.5° | 180.0° |
| F15 | C10 | C09 | O08 | 34.2° | 60.0° |
| F15 | C10 | C09 | F17 | 153.8° | 60.0° |
| C11 | C10 | C09 | F16 | 118.3° | 120.0° |
| C11 | C10 | C09 | F18 | 32.1° | 60.0° |
| C11 | C10 | C09 | O08 | 153.8° | 180.0° |
| C11 | C10 | C09 | F17 | 86.6° | 60.0° |
| F14 | C11 | C10 | C09 | 58.3° | 60.0° |
| F14 | C11 | C10 | F16 | 55.5° | 179.9° |
| C10 | C09 | F18 | O08 | 114.7° | 120.0° |
| C10 | C09 | F18 | F17 | 119.5° | 120.0° |
| C10 | C09 | O08 | F17 | 117.0° | 120.0° |
| C10 | C09 | O08 | C03 | 162.3° | 179.1° |
| F16 | C10 | C09 | F18 | 150.5° | 60.0° |
| F16 | C10 | C09 | O08 | 87.9° | 60.0° |
| F16 | C10 | C09 | F17 | 31.7° | 180.0° |
| F18 | C09 | O08 | F17 | 123.1° | 120.0° |
| F18 | C09 | O08 | C03 | 77.8° | 60.9° |
| F05 | C04 | C03 | O08 | 45.6° | 57.8° |
| F05 | C04 | C03 | F19 | 68.4° | 62.2° |
| F05 | C04 | C03 | F07 | 115.8° | 119.9° |
| F05 | C04 | C03 | F06 | 121.7° | 120.0° |
| F05 | C04 | C03 | C01 | 174.0° | 177.8° |
| F05 | C04 | F07 | F06 | 128.1° | 120.0° |
| C09 | O08 | C03 | F19 | 161.0° | 52.6° |
| C09 | O08 | C03 | C04 | 51.4° | 172.6° |
| C09 | O08 | C03 | C01 | 75.0° | 67.5° |
| C03 | O08 | C09 | F17 | 45.3° | 59.1° |
| O08 | C03 | F19 | C04 | 116.2° | 120.0° |
| O08 | C03 | F19 | C01 | 126.2° | 120.0° |
| O08 | C03 | C04 | C01 | 128.4° | 120.0° |
| O08 | C03 | C04 | F07 | 161.4° | 62.2° |
| O08 | C03 | C04 | F06 | 76.2° | 177.8° |
| O08 | C03 | C01 | O20 | 65.6° | 26.2° |
| O08 | C03 | C01 | O02 | 117.0° | 153.7° |
| F19 | C03 | C04 | C01 | 117.6° | 120.0° |
| F19 | C03 | C04 | F07 | 47.4° | 177.8° |
| F19 | C03 | C04 | F06 | 169.9° | 57.8° |
| F19 | C03 | C01 | O20 | 56.7° | 146.2° |
| F19 | C03 | C01 | O02 | 120.7° | 33.7° |
| C03 | C04 | F07 | F06 | 119.8° | 120.1° |
| C04 | C03 | C01 | O20 | 168.2° | 93.8° |
| C04 | C03 | C01 | O02 | 9.3° | 86.3° |
| C01 | C03 | C04 | F07 | 70.2° | 57.8° |
| C01 | C03 | C04 | F06 | 52.2° | 62.2° |
| C03 | C01 | O20 | O02 | 177.5° | 179.9° |
| C03 | C01 | O02 | H1 | 177.5° | 180.0° |
| O20 | C01 | O02 | H1 | 0.0° | 0.1° |
