| Temperature | 298.15 |
| Wave Function / DFT | RHF |
| SMILES | CC1=NN2CC2C#CC=CC#C1 |
| Molar mass | 156.06875 |
| Pressure | 1 |
| Basis set | 6-31G(d) |
| HOMO-LUMO gap | 11.06896 |
| Number of basis functions | 196 |
| Zero Point Vibrational Energy | 0.165191 |
| InChI | InChI=1/C10H20N2/c1-9-6-4-2-3-5-7-10-8-12(10)11-9/h9-11H,2-8H2,1H3/t9-,10+,12-/m0/s1 |
| Number of occupied orbitals | 41 |
| Energy at 0K | -491.799405 |
| Input SMILES | CC1=NN2CC2C#CC=CC#C1 |
| Number of orbitals | 196 |
| Number of virtual orbitals | 155 |
| Standard InChI | InChI=1S/C10H20N2/c1-9-6-4-2-3-5-7-10-8-12(10)11-9/h9-11H,2-8H2,1H3/t9-,10+,12-/m0/s1 |
| Total Energy | -491.789852 |
| Entropy | 1.518330D-04 |
| Number of imaginary frequencies | 0 |
| Enthalpy | -491.788908 |
| Standard InChI Key | InChIKey=NFAFEFWDIUTKIK-UMNHJUIQSA-N |
| Final Isomeric SMILES | C[C@H]1CCCCCC[C@@H]2CN2N1 |
| SMILES | C[C@H]1CCCCCC[C@H]2[N@@](N1)C2 |
| Gibbs energy | -491.834177 |
| Thermal correction to Energy | 0.174743 |
| Thermal correction to Enthalpy | 0.175687 |
| Thermal correction to Gibbs energy | 0.130419 |
