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 | 199.06 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 208.98 | 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 | 20.86 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 54.12 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 155.37 | J mol-1 K-1 |
| Rotational | 92.42 | J mol-1 K-1 |
| Vibrational | 7.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 255.77 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 286.70 | kJ mol-1 |
Molecular Orbitals
- 1 -300.38 eV View
- 2 -300.38 eV View
- 3 -298.69 eV View
- 4 -27.75 eV View
- 5 -24.63 eV View
- 6 -18.52 eV View
- 7 -15.28 eV View
- 8 -15.24 eV View
- 9 -14.44 eV View
- 10 -14.05 eV View
- 11 -12.30 eV View
- 12 -6.59 eV View
- 13 6.63 eV View
- 14 17.82 eV View
- 15 18.49 eV View
- 16 18.64 eV View
- 17 19.56 eV View
- 18 20.02 eV View
- 19 20.28 eV View
- 20 21.72 eV View
- 21 23.88 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 3.81 cm-1 View
- 2 13.62 cm-1 View
- 3 404.27 cm-1 View
- 4 745.94 cm-1 View
- 5 785.24 cm-1 View
- 6 871.60 cm-1 View
- 7 957.59 cm-1 View
- 8 1088.14 cm-1 View
- 9 1231.47 cm-1 View
- 10 1335.28 cm-1 View
- 11 1341.65 cm-1 View
- 12 1383.39 cm-1 View
- 13 1387.49 cm-1 View
- 14 1399.06 cm-1 View
- 15 1502.69 cm-1 View
- 16 3048.95 cm-1 View
- 17 3051.74 cm-1 View
- 18 3065.24 cm-1 View
- 19 3066.93 cm-1 View
- 20 3157.86 cm-1 View
- 21 3159.64 cm-1 View