| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1CC2C=CC(C=C)C2=NN1 |
| Molar mass | 162.1157 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 13.39987 |
| Number of basis functions | 208 |
| Zero Point Vibrational Energy | 0.242047 |
| InChI | InChI=1/C10H20N2/c1-3-8-4-5-9-6-7(2)11-12-10(8)9/h7-12H,3-6H2,1-2H3/t7-,8+,9+,10+/m0/s1 |
| Number of occupied orbitals | 44 |
| Energy at 0K | -495.404437 |
| Input SMILES | CC1CC2C=CC(C=C)C2=NN1 |
| Number of orbitals | 208 |
| Number of virtual orbitals | 164 |
| Standard InChI | InChI=1S/C10H20N2/c1-3-8-4-5-9-6-7(2)11-12-10(8)9/h7-12H,3-6H2,1-2H3/t7-,8+,9+,10+/m0/s1 |
| Total Energy | -495.39426 |
| Entropy | 1.575885D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -495.393316 |
| Standard InChI Key | InChIKey=STZKYPUHCZVMSV-SGIHWFKDSA-N |
| Final Isomeric SMILES | CC[C@@H]1CC[C@@H]2C[C@H](C)NN[C@H]12 |
| SMILES | CC[C@@H]1CC[C@H]2[C@@H]1NN[C@H](C2)C |
| Gibbs energy | -495.440301 |
| Thermal correction to Energy | 0.252224 |
| Thermal correction to Enthalpy | 0.253168 |
| Thermal correction to Gibbs energy | 0.206183 |
