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 | 48.82 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 58.73 | 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 | 35.83 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 69.09 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.17 | J mol-1 K-1 |
| Rotational | 108.39 | J mol-1 K-1 |
| Vibrational | 26.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 301.25 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -290.47 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.52 eV View
- 2 -2819.51 eV View
- 3 -1854.39 eV View
- 4 -280.86 eV View
- 5 -280.85 eV View
- 6 -211.26 eV View
- 7 -211.26 eV View
- 8 -211.11 eV View
- 9 -211.10 eV View
- 10 -211.10 eV View
- 11 -211.10 eV View
- 12 -167.10 eV View
- 13 -113.39 eV View
- 14 -113.37 eV View
- 15 -113.35 eV View
- 16 -28.37 eV View
- 17 -27.36 eV View
- 18 -19.12 eV View
- 19 -14.74 eV View
- 20 -13.53 eV View
- 21 -12.75 eV View
- 22 -10.87 eV View
- 23 -10.67 eV View
- 24 -10.42 eV View
- 25 -10.42 eV View
- 26 7.38 eV View
- 27 7.44 eV View
- 28 11.75 eV View
- 29 12.26 eV View
Vibrational Frequencies
| Vibration |
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| Balls |
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