| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1CC2C=CCC(=C)C2=NN1 |
| Molar mass | 162.1157 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 12.86462 |
| Number of basis functions | 208 |
| Zero Point Vibrational Energy | 0.243334 |
| InChI | InChI=1/C10H20N2/c1-7-4-3-5-9-6-8(2)11-12-10(7)9/h7-12H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1 |
| Number of occupied orbitals | 44 |
| Energy at 0K | -495.408513 |
| Input SMILES | CC1CC2C=CCC(=C)C2=NN1 |
| Number of orbitals | 208 |
| Number of virtual orbitals | 164 |
| Standard InChI | InChI=1S/C10H20N2/c1-7-4-3-5-9-6-8(2)11-12-10(7)9/h7-12H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1 |
| Total Energy | -495.398632 |
| Entropy | 1.551702D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -495.397687 |
| Standard InChI Key | InChIKey=VKVWFFSORRCLTN-AXTSPUMRSA-N |
| Final Isomeric SMILES | C[C@H]1C[C@H]2CCC[C@H](C)[C@H]2NN1 |
| SMILES | C[C@@H]1NN[C@H]2[C@@H](C1)CCC[C@@H]2C |
| Gibbs energy | -495.443951 |
| Thermal correction to Energy | 0.253216 |
| Thermal correction to Enthalpy | 0.25416 |
| Thermal correction to Gibbs energy | 0.207896 |
