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 | 281.47 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 291.39 | 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 | 74.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 107.55 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.86 | J mol-1 K-1 |
| Rotational | 109.60 | J mol-1 K-1 |
| Vibrational | 65.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 338.78 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 799.34 | kJ mol-1 |
Molecular Orbitals
- 1 -562.77 eV View
- 2 -311.57 eV View
- 3 -307.77 eV View
- 4 -307.39 eV View
- 5 -306.65 eV View
- 6 -306.00 eV View
- 7 -45.36 eV View
- 8 -34.62 eV View
- 9 -32.54 eV View
- 10 -29.48 eV View
- 11 -27.20 eV View
- 12 -26.02 eV View
- 13 -24.21 eV View
- 14 -22.93 eV View
- 15 -21.74 eV View
- 16 -21.26 eV View
- 17 -20.40 eV View
- 18 -19.71 eV View
- 19 -19.04 eV View
- 20 -18.33 eV View
- 21 -15.87 eV View
- 22 -13.63 eV View
- 23 -2.56 eV View
- 24 3.06 eV View
- 25 4.06 eV View
- 26 7.43 eV View
- 27 9.79 eV View
- 28 10.78 eV View
- 29 11.24 eV View
- 30 12.20 eV View
- 31 13.06 eV View
- 32 13.92 eV View
- 33 15.05 eV View
- 34 19.02 eV View
- 35 19.22 eV View
- 36 20.68 eV View
- 37 21.78 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
|
- 1 63.61 cm-1 View
- 2 149.04 cm-1 View
- 3 169.48 cm-1 View
- 4 209.14 cm-1 View
- 5 377.57 cm-1 View
- 6 511.92 cm-1 View
- 7 561.01 cm-1 View
- 8 570.79 cm-1 View
- 9 670.70 cm-1 View
- 10 857.10 cm-1 View
- 11 899.21 cm-1 View
- 12 924.07 cm-1 View
- 13 949.09 cm-1 View
- 14 997.83 cm-1 View
- 15 1055.38 cm-1 View
- 16 1107.13 cm-1 View
- 17 1128.00 cm-1 View
- 18 1180.49 cm-1 View
- 19 1196.80 cm-1 View
- 20 1213.10 cm-1 View
- 21 1291.02 cm-1 View
- 22 1296.73 cm-1 View
- 23 1396.47 cm-1 View
- 24 1625.13 cm-1 View
- 25 1743.73 cm-1 View
- 26 1781.29 cm-1 View
- 27 2920.25 cm-1 View
- 28 3002.39 cm-1 View
- 29 3004.01 cm-1 View
- 30 3091.38 cm-1 View
- 31 3108.32 cm-1 View
- 32 3108.77 cm-1 View
- 33 3118.06 cm-1 View