Table 3.
AT | 1-d | 2-s 2-o | 2-s 1-o | 1-s 2-o | 1-s 1-o |
---|---|---|---|---|---|
1-d | – | 0.0006166 | 0.001122 | 0.0003974 | 0.001800 |
2-s 2-o | – | – | 0.001075 | 0.0002253 | 0.001622 |
2-s 1-o | – | – | – | 0.001019 | 0.001738 |
1-s 2-o | – | – | – | – | 0.001590 |
| |||||
GC | 1-d | 2-s 2-o | 2-s 1-o | 1-s 2-o | 1-s 1-o |
| |||||
1-d | – | 0.0004025 | 0.0005604 | 0.0001765 | 0.001928 |
2-s 2-o | – | – | 0.0004064 | 0.0002899 | 0.001883 |
2-s 1-o | – | – | – | 0.0004922 | 0.001868 |
1-s 2-o | – | – | – | – | 0.001933 |
| |||||
RD | 1-d | 2-s 2-o | 2-s 1-o | 1-s 2-o | 1-s 1-o |
| |||||
1-d | – | 0.001035 | 0.001708 | 0.0006102 | 0.003224 |
2-s 2-o | – | – | 0.001517 | 0.0004692 | 0.004186 |
2-s 1-o | – | – | – | 0.001384 | 0.002837 |
1-s 2-o | – | – | – | – | 0.003740 |
| |||||
KD | 1-d | 2-s 2-o | 2-s 1-o | 1-s 2-o | 1-s 1-o |
| |||||
1-d | – | 0.001254 | 0.0006086 | 0.0009511 | 0.002305 |
2-s 2-o | – | – | 0.0008443 | 0.0003400 | 0.001496 |
2-s 1-o | – | – | – | 0.0006884 | 0.002228 |
1-s 2-o | – | – | – | – | 0.001583 |
All forces values were extrapolated to h=0 Å before comparison.