| σ | 1.98266 | C8-C9 | σ* | 0.11572 | 3.54 | 1.10 | 0.056 |
C7-C9 | σ | 1.97999 | C3-C4 | σ* | 0.03966 | 3.45 | 1.17 | 0.057 |
| σ | 1.97999 | C4-C7 | σ* | 0.02205 | 3.09 | 1.27 | 0.056 |
C7-H18 | σ | 1.98179 | C4-C5 | σ* | 0.02151 | 4.07 | 1.10 | 0.060 |
| σ | 1.98179 | C8-C9 | σ* | 0.01572 | 3.51 | 1.10 | 0.056 |
C8-C9 | σ | 1.98101 | C6-C8 | σ* | 0.01603 | 2.42 | 1.27 | 0.049 |
σ | 1.98101 | C7-C9 | σ* | 0.01476 | 2.59 | 1.27 | 0.051 | |
σ | 1.98101 | C7-H18 | σ* | 0.01312 | 2.35 | 1.17 | 0.047 | |
C8-C9 | σ | 1.66151 | C4-C7 | σ* | 0.37095 | 20.44 | 0.28 | 0.068 |
| σ | 1.66151 | C5-C6 | σ* | 0.29661 | 18.58 | 0.29 | 0.066 |
C8-H17 | σ | 1.98315 | C5-C6 | σ* | 0.01431 | 3.50 | 1.11 | 0.056 |
| σ | 1.98315 | C7-C9 | σ* | 0.01476 | 3.60 | 1.10 | 0.056 |
C9-H19 | σ | 1.98276 | C4-C7 | σ* | 0.02205 | 3.78 | 1.09 | 0.057 |
| σ | 1.98276 | C6-C8 | σ* | 0.01603 | 3.53 | 1.10 | 0.056 |
N11-H12 | σ | 1.98046 | C3-N10 | σ* | 0.01771 | 2.62 | 1.25 | 0.051 |
| σ | 1.98046 | C3-N10 | σ* | 0.01771 | 2.14 | 0.69 | 0.036 |
LP |
|
| ||||||
N10(1) | σ | 1.91978 | C1-C2 | σ* | 0.02495 | 4.86 | 0.70 | 0.053 |
| σ | 1.91978 | C3-N11 | σ* | 0.04973 | 11.92 | 0.78 | 0.087 |
N11(1) | σ | 1.81255 | C1-H13 | σ* | 0.02044 | 4.37 | 0.74 | 0.053 |
| σ | 1.81255 | C1-H20 | σ* | 0.01525 | 3.21 | 0.75 | 0.046 |
| σ | 1.81255 | C3-N10 | σ* | 0.23563 | 29.04 | 0.34 | 0.090 |
C4-C7 | σ* | 0.37095 | C3-N10 | σ* | 0.23563 | 118.65 | 0.02 | 0.070 |
C5-C6 | σ* | 0.29661 | C5(4) | π* | 0.00043 | 2.09 | 0.87 | 0.099 |
| σ* | 0.29661 | C6(4) | π* | 0.00037 | 2.13 | 0.72 | 0.091 |