1 |
C |
-0.0161 |
2 |
C |
-0.0245 |
3 |
C |
0.102 |
4 |
C |
0.1017 |
5 |
C |
-0.0298 |
6 |
C |
-0.0542 |
7 |
O |
-0.3571 |
|
8 |
O |
-0.3571 |
9 |
C |
0.0936 |
10 |
O |
-0.3863 |
11 |
C |
0.0265 |
12 |
N |
-0.3177 |
13 |
C |
-0.0151 |
14 |
H |
0.0655 |
|
15 |
H |
0.0651 |
16 |
H |
0.0629 |
17 |
H |
0.2178 |
18 |
H |
0.2178 |
19 |
H |
0.0657 |
20 |
H |
0.2105 |
21 |
H |
0.0452 |
|
22 |
H |
0.0452 |
23 |
H |
0.1221 |
24 |
H |
0.0388 |
25 |
H |
0.0388 |
26 |
H |
0.0388 |
Atomic
-system partial charge
in [e]
|
|