Table 3. Values of the Laplacian of ρ (∇2ρ × 102, in au), the Potential (V × 102, in au) and Kinetic (G × 102, in au) Energy Densities, and the Total Energy Density (H × 102, in au) Gathered at the BCP That Characterizes the Hg SpB.
| complex | ∇2ρ × 102 | V × 102 | G × 102 | H × 102 |
|---|---|---|---|---|
| 1 | 3.67 | –0.79 | 0.86 | 0.06 |
| 2 | 5.80 | –1.17 | 1.31 | 0.14 |
| 3 | 7.86 | –1.70 | 1.83 | 0.13 |
| 4 | 2.48 | –0.42 | 0.52 | 0.10 |
| 5 | 3.58 | –0.64 | 0.77 | 0.13 |
| 6 | 9.31 | –2.39 | 2.36 | –0.03 |
| 7 | 6.94 | –1.73 | 1.74 | 0.00 |
| 8 | 2.14 | –0.28 | 0.41 | 0.13 |
| 9 | 7.66 | –1.74 | 1.83 | 0.09 |
| 10 | 4.69 | –0.79 | 0.98 | 0.19 |
| 11 | 8.34 | –2.14 | 2.11 | –0.03 |
| 12 | 8.70 | –1.94 | 2.06 | 0.12 |
| 13 | 4.85 | –1.23 | 1.22 | –0.01 |
| 14 | 5.12 | –1.26 | 1.27 | 0.01 |
| 15 | 10.73 | –2.22 | 2.45 | 0.23 |
| 16 | 14.11 | –4.61 | 4.07 | –0.54 |
| 17 | 10.01 | –3.22 | 2.86 | –0.36 |