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 | 117.33 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 127.25 | 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 | 59.26 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 92.51 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.09 | J mol-1 K-1 |
| Rotational | 106.58 | J mol-1 K-1 |
| Vibrational | 55.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 324.34 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1188.03 | kJ mol-1 |
Molecular Orbitals
- 1 -430.83 eV View
- 2 -429.90 eV View
- 3 -429.89 eV View
- 4 -429.32 eV View
- 5 -429.31 eV View
- 6 -45.69 eV View
- 7 -45.63 eV View
- 8 -40.03 eV View
- 9 -28.00 eV View
- 10 -27.07 eV View
- 11 -26.22 eV View
- 12 -23.03 eV View
- 13 -22.26 eV View
- 14 -22.08 eV View
- 15 -22.03 eV View
- 16 -21.88 eV View
- 17 -21.57 eV View
- 18 -18.19 eV View
- 19 -2.20 eV View
- 20 0.93 eV View
- 21 1.09 eV View
- 22 1.22 eV View
- 23 1.31 eV View
- 24 7.66 eV View
- 25 10.60 eV View
- 26 23.98 eV View
- 27 24.54 eV View
Vibrational Frequencies
| Vibration |
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| Balls |
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