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 | 94.89 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 104.80 | 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 | 32.93 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 66.19 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.00 | J mol-1 K-1 |
| Rotational | 104.95 | J mol-1 K-1 |
| Vibrational | 20.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 289.52 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -458.63 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.15 eV View
- 2 -707.24 eV View
- 3 -553.03 eV View
- 4 -306.12 eV View
- 5 -280.49 eV View
- 6 -210.90 eV View
- 7 -210.76 eV View
- 8 -210.75 eV View
- 9 -42.48 eV View
- 10 -36.89 eV View
- 11 -28.08 eV View
- 12 -22.93 eV View
- 13 -19.59 eV View
- 14 -17.17 eV View
- 15 -16.38 eV View
- 16 -13.82 eV View
- 17 -13.23 eV View
- 18 -12.54 eV View
- 19 -10.54 eV View
- 20 -10.27 eV View
- 21 -10.22 eV View
- 22 9.10 eV View
- 23 14.81 eV View
- 24 15.81 eV View
- 25 16.95 eV View
- 26 20.06 eV View
Vibrational Frequencies
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| Balls |
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