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 | 57.90 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 67.82 | 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 | 34.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 67.68 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.73 | J mol-1 K-1 |
| Rotational | 100.92 | J mol-1 K-1 |
| Vibrational | 25.34 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 288.00 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1393.58 | kJ mol-1 |
Molecular Orbitals
- 1 -435.30 eV View
- 2 -435.29 eV View
- 3 -433.69 eV View
- 4 -433.69 eV View
- 5 -429.92 eV View
- 6 -49.29 eV View
- 7 -48.64 eV View
- 8 -42.71 eV View
- 9 -34.45 eV View
- 10 -27.23 eV View
- 11 -27.16 eV View
- 12 -25.71 eV View
- 13 -25.67 eV View
- 14 -25.47 eV View
- 15 -24.76 eV View
- 16 -19.74 eV View
- 17 -17.75 eV View
- 18 -3.53 eV View
- 19 -3.37 eV View
- 20 -2.17 eV View
- 21 -0.51 eV View
- 22 1.83 eV View
- 23 8.27 eV View
- 24 22.59 eV View
- 25 22.96 eV View
Vibrational Frequencies
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| Balls |
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