C2H5
S1
S2
S3
Energy (a.u)
−1144.567756
−1144.560062
−1144.567789
CH3
C1
C2
Energy (a.u)
−1144.563074 a.u
−1144.567789
NH2
M1
M2
M3
Energy (a.u)
−1144.545873
−1144.545363
−1144.567789
| C2H5 |
S1 |
S2 |
S3 | |
| Energy (a.u) | −1144.567756 | −1144.560062 | −1144.567789 | |
| CH3 |
C1 |
C2 | ||
| Energy (a.u) | −1144.563074 a.u | −1144.567789 | ||
| NH2 |
M1 |
M2 |
M3 | |
| Energy (a.u) | −1144.545873 | −1144.545363 | −1144.567789 | |