TABLE V.
Water dimer geometry | A1 | P1 | g03 |
---|---|---|---|
1 | 0.046(0.407) | 0.040(0.017) | 0.061(0.007) |
2 | 0.017(0.365) | 0.043(0.037) | 0.016(0.000) |
3 | 0.025(0.340) | 0.046(0.048) | 0.004(0.001) |
4 | 0.696(0.532) | 0.001(0.092) | 0.161(0.019) |
5 | 0.645(0.473) | 0.126(0.075) | 0.008(0.007) |
6 | 0.600(0.477) | 0.169(0.058) | 0.072(0.003) |
7 | 0.886(0.250) | 0.034(0.112) | 0.503(0.023) |
8 | 0.550(0.031) | 0.054(0.118) | 0.025(0.022) |
9 | 0.753(0.034) | 0.168(0.219) | 0.239(0.021) |
10 | 0.479(0.072) | 0.066(0.128) | 0.097(0.013) |
Average | 0.470(0.298) | 0.075(0.090) | 0.119(0.012) |