1 | nh3 | bh3 | nh3-bh3 | -1 | -1 | 1 | -32.1 | 3.86 | 2.21 | -1.26 |
2 | nh3-bh3 | nh2-bh2 | h2 | -1 | 1 | 1 | -0.2 | -2.39 | -1.31 | 0.32 |
3 | nh2-bh2 | nh-bh | h2 | -1 | 1 | 1 | 37.6 | -1.75 | -1.25 | -0.27 |
4 | nh2-bh2 | cbut | | -2 | 1 | | -19.5 | 9.61 | 5.76 | -1.56 |
5 | nh2-bh2 | bz h2 | | -3 | 1 | 3 | -48.9 | 9.83 | 7.63 | -1.93 |
6 | nh2-bh2 | ch | | -3 | 1 | | -46.1 | 21.87 | 12.42 | 0.02 |
7 | BH3PH3 | BH3 | PH3 | 1 | -1 | -1 | -25.2 | 0.34 | -1.11 | -9.91 |
8 | K_H | BH3PH3 | H2 | 1 | -1 | -1 | 40.4 | 1.18 | -0.29 | 0.61 |
9 | BF3PMe3 | BF3 | PMe3 | 1 | -1 | -1 | -15.2 | 3.60 | 0.25 | -7.56 |
10 | K_F | BF3PMe3 | H2 | 1 | -1 | -1 | 18.5 | 6.55 | 2.07 | 7.08 |
11 | BCl3PMe3 | BCl3 | PMe3 | 1 | -1 | -1 | -31.2 | 12.31 | 3.54 | -6.72 |
12 | K_Cl | BCl3PMe3 | H2 | 1 | -1 | -1 | 17.6 | 2.03 | -0.23 | 8.08 |
MD | | | | | | | | 5.59 | 2.47 | -1.09 |
MAD | | | | | | | | 6.28 | 3.17 | 3.78 |
RMSD | | | | | | | | 8.68 | 4.76 | 5.20 |