Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 113.76 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 123.68 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 14.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 48.23 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 156.23 | J mol-1 K-1 |
| Rotational | 88.75 | J mol-1 K-1 |
| Vibrational | 4.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 249.69 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 127.91 | kJ mol-1 |
Molecular Orbitals
- 1 -553.02 eV View
- 2 -418.42 eV View
- 3 -303.35 eV View
- 4 -37.35 eV View
- 5 -27.82 eV View
- 6 -23.20 eV View
- 7 -18.07 eV View
- 8 -16.30 eV View
- 9 -13.37 eV View
- 10 -11.16 eV View
- 11 -10.95 eV View
- 12 -9.71 eV View
- 13 9.48 eV View
- 14 12.98 eV View
- 15 16.71 eV View
- 16 17.46 eV View
- 17 18.99 eV View
- 18 21.46 eV View
Vibrational Frequencies
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| Balls |
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