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 | 179.34 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 189.26 | 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 | 31.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 64.92 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 156.77 | J mol-1 K-1 |
| Rotational | 91.86 | J mol-1 K-1 |
| Vibrational | 26.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 275.21 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -37.22 | kJ mol-1 |
Molecular Orbitals
- 1 -552.19 eV View
- 2 -417.84 eV View
- 3 -301.77 eV View
- 4 -36.12 eV View
- 5 -28.54 eV View
- 6 -23.11 eV View
- 7 -17.57 eV View
- 8 -16.26 eV View
- 9 -15.13 eV View
- 10 -14.37 eV View
- 11 -12.27 eV View
- 12 -9.56 eV View
- 13 -9.01 eV View
- 14 13.80 eV View
- 15 17.17 eV View
- 16 17.88 eV View
- 17 19.10 eV View
- 18 19.43 eV View
- 19 20.30 eV View
- 20 20.60 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 151.69 cm-1 View
- 2 182.48 cm-1 View
- 3 452.42 cm-1 View
- 4 750.74 cm-1 View
- 5 1025.29 cm-1 View
- 6 1080.44 cm-1 View
- 7 1110.01 cm-1 View
- 8 1165.25 cm-1 View
- 9 1263.76 cm-1 View
- 10 1353.65 cm-1 View
- 11 1369.68 cm-1 View
- 12 1391.31 cm-1 View
- 13 1628.72 cm-1 View
- 14 3046.89 cm-1 View
- 15 3079.58 cm-1 View
- 16 3142.50 cm-1 View
- 17 3452.99 cm-1 View
- 18 3577.32 cm-1 View