Table 7.
Ellipticities corresponding to the BCP in the TSOC. The bold values are the most remarkable.
BCP | Atoms | Ellipticities | BCP | Atoms | Ellipticities |
---|---|---|---|---|---|
1 | C1–C2 | 0.1998 | 12 | C10–H11 | 0.0119 |
2 | C3–C10 | 0.0379 | 13 | C10–H12 | 0.0083 |
3 | C2–C3 | 0.2115 | 14 | C13–H14 | 0.0424 |
4 | C1–C4 | 0.2893 | 15 | C13–H15 | 0.0426 |
5 | C1–H5 | 0.0225 | 16 | C13–O16 | 0.0051 |
6 | C3–C4 | 0.2039 | 17 | O16–C17 | 0.0023 |
7 | C4–H6 | 0.0262 | 18 | C17–C19 | 0.0575 |
8 | C2–H7 | 0.0160 | 19 | C17–O18 | 0.1387 |
9 | C2–H8 | 0.0377 | 20 | C19–H20 | 0.0068 |
10 | C3–H9 | 0.0382 | 21 | C19–H21 | 0.0069 |
11 | C10–C13 | 0.0437 | 22 | C19–H22 | 0.0059 |