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 | 164.06 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 173.97 | 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 | 96.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 129.76 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.44 | J mol-1 K-1 |
| Rotational | 118.84 | J mol-1 K-1 |
| Vibrational | 105.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 390.38 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 757.53 | kJ mol-1 |
Molecular Orbitals
- 1 -296.89 eV View
- 2 -296.89 eV View
- 3 -296.38 eV View
- 4 -296.38 eV View
- 5 -296.21 eV View
- 6 -296.21 eV View
- 7 -62.19 eV View
- 8 -62.19 eV View
- 9 -62.17 eV View
- 10 -62.16 eV View
- 11 -26.24 eV View
- 12 -22.53 eV View
- 13 -21.70 eV View
- 14 -17.24 eV View
- 15 -15.71 eV View
- 16 -12.23 eV View
- 17 -12.02 eV View
- 18 -11.52 eV View
- 19 -8.91 eV View
- 20 -6.53 eV View
- 21 -5.92 eV View
- 22 -5.62 eV View
- 23 -4.50 eV View
- 24 -4.04 eV View
- 25 -2.73 eV View
- 26 2.45 eV View
- 27 2.57 eV View
- 28 3.37 eV View
- 29 3.52 eV View
- 30 5.05 eV View
- 31 5.06 eV View
- 32 5.31 eV View
- 33 5.56 eV View
- 34 6.26 eV View
- 35 6.63 eV View
- 36 8.21 eV View
- 37 8.23 eV View
- 38 11.01 eV View
- 39 12.28 eV View
- 40 12.54 eV View
- 41 14.17 eV View
- 42 16.42 eV View
- 43 17.64 eV View
- 44 17.94 eV View
- 45 21.23 eV View
- 46 22.45 eV View
- 47 25.65 eV View
- 48 25.94 eV View
- 49 26.74 eV View
- 50 28.00 eV View
- 51 32.85 eV View
- 52 33.34 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
|
| Balls |
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- 1 1.51 cm-1 View
- 2 6.28 cm-1 View
- 3 10.15 cm-1 View
- 4 45.57 cm-1 View
- 5 67.15 cm-1 View
- 6 81.14 cm-1 View
- 7 115.68 cm-1 View
- 8 182.52 cm-1 View
- 9 374.09 cm-1 View
- 10 383.95 cm-1 View
- 11 430.08 cm-1 View
- 12 462.04 cm-1 View
- 13 466.54 cm-1 View
- 14 561.29 cm-1 View
- 15 666.12 cm-1 View
- 16 699.66 cm-1 View
- 17 739.47 cm-1 View
- 18 846.00 cm-1 View
- 19 878.39 cm-1 View
- 20 977.31 cm-1 View
- 21 1070.77 cm-1 View
- 22 1159.78 cm-1 View
- 23 1224.94 cm-1 View
- 24 1308.29 cm-1 View
- 25 1372.78 cm-1 View
- 26 1461.70 cm-1 View
- 27 1667.57 cm-1 View
- 28 1679.76 cm-1 View
- 29 2949.71 cm-1 View
- 30 2952.12 cm-1 View