Table 1.
Atom | qA (e−) | Bond A-B | pA-B (e−) |
---|---|---|---|
O1 | −0.26 | O1-C2 | 1.03 |
C2 | 0.21 | C2-C3 | 1.84 |
C3 | −0.04 | C3-C4 | 0.74 |
C4 | −0.25 | C4-C19 | 0.99 |
C5 | −0.08 | O1-C19 | 0.94 |
C6 | 0.24 | C4-C5 | 0.99 |
Atom | qA (e−) | Bond A-B | pA-B (e−) |
---|---|---|---|
O1 | −0.26 | O1-C2 | 1.03 |
C2 | 0.21 | C2-C3 | 1.84 |
C3 | −0.04 | C3-C4 | 0.74 |
C4 | −0.25 | C4-C19 | 0.99 |
C5 | −0.08 | O1-C19 | 0.94 |
C6 | 0.24 | C4-C5 | 0.99 |