1 | nh3 | bh3 | nh3-bh3 | -1 | -1 | 1 | -32.1 | -0.45 | -1.36 | -1.72 |
2 | nh3-bh3 | nh2-bh2 | h2 | -1 | 1 | 1 | -0.2 | 0.34 | 0.91 | 1.14 |
3 | nh2-bh2 | nh-bh | h2 | -1 | 1 | 1 | 37.6 | 1.58 | 1.85 | 2.04 |
4 | nh2-bh2 | cbut | | -2 | 1 | | -19.5 | 1.47 | -0.73 | -1.39 |
5 | nh2-bh2 | bz h2 | | -3 | 1 | 3 | -48.9 | 3.72 | 2.23 | 1.01 |
6 | nh2-bh2 | ch | | -3 | 1 | | -46.1 | 6.82 | 1.01 | -0.28 |
7 | BH3PH3 | BH3 | PH3 | 1 | -1 | -1 | -25.2 | -1.23 | -2.12 | -2.99 |
8 | K_H | BH3PH3 | H2 | 1 | -1 | -1 | 40.4 | -3.45 | -4.17 | -4.42 |
9 | BF3PMe3 | BF3 | PMe3 | 1 | -1 | -1 | -15.2 | 1.16 | -1.51 | -2.09 |
10 | K_F | BF3PMe3 | H2 | 1 | -1 | -1 | 18.5 | 1.03 | -1.02 | 0.18 |
11 | BCl3PMe3 | BCl3 | PMe3 | 1 | -1 | -1 | -31.2 | 7.07 | 1.51 | -0.19 |
12 | K_Cl | BCl3PMe3 | H2 | 1 | -1 | -1 | 17.6 | -2.46 | -3.38 | -1.89 |
MD | | | | | | | | 1.30 | -0.57 | -0.88 |
MAD | | | | | | | | 2.56 | 1.82 | 1.61 |
RMSD | | | | | | | | 3.38 | 2.07 | 2.00 |