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 | 398.69 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 408.60 | 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 | 143.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 176.69 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.29 | J mol-1 K-1 |
| Rotational | 126.86 | J mol-1 K-1 |
| Vibrational | 155.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 452.47 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 340.42 | kJ mol-1 |
Molecular Orbitals
- 1 -552.45 eV View
- 2 -551.26 eV View
- 3 -419.11 eV View
- 4 -304.24 eV View
- 5 -302.19 eV View
- 6 -301.94 eV View
- 7 -300.54 eV View
- 8 -300.46 eV View
- 9 -299.68 eV View
- 10 -297.69 eV View
- 11 -38.03 eV View
- 12 -34.80 eV View
- 13 -32.59 eV View
- 14 -29.50 eV View
- 15 -27.29 eV View
- 16 -24.19 eV View
- 17 -22.25 eV View
- 18 -21.31 eV View
- 19 -20.45 eV View
- 20 -18.94 eV View
- 21 -17.54 eV View
- 22 -16.76 eV View
- 23 -16.28 eV View
- 24 -15.84 eV View
- 25 -15.60 eV View
- 26 -15.03 eV View
- 27 -14.43 eV View
- 28 -14.29 eV View
- 29 -13.55 eV View
- 30 -12.83 eV View
- 31 -12.71 eV View
- 32 -10.73 eV View
- 33 -9.94 eV View
- 34 -9.67 eV View
- 35 -8.61 eV View
- 36 -7.78 eV View
- 37 -6.09 eV View
- 38 6.14 eV View
- 39 7.71 eV View
- 40 8.12 eV View
- 41 9.47 eV View
- 42 14.18 eV View
- 43 14.86 eV View
- 44 15.89 eV View
- 45 16.26 eV View
- 46 17.35 eV View
- 47 17.44 eV View
- 48 18.26 eV View
- 49 18.53 eV View
- 50 18.90 eV View
- 51 19.27 eV View
- 52 20.30 eV View
- 53 20.96 eV View
- 54 21.82 eV View
- 55 22.80 eV View
- 56 25.13 eV View
- 57 26.70 eV View
- 58 27.21 eV View
- 59 28.36 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
|
| Balls |
|
- 1 35.79 cm-1 View
- 2 44.21 cm-1 View
- 3 52.87 cm-1 View
- 4 79.69 cm-1 View
- 5 118.96 cm-1 View
- 6 155.99 cm-1 View
- 7 241.03 cm-1 View
- 8 283.20 cm-1 View
- 9 305.78 cm-1 View
- 10 334.96 cm-1 View
- 11 413.88 cm-1 View
- 12 451.53 cm-1 View
- 13 484.08 cm-1 View
- 14 525.89 cm-1 View
- 15 546.82 cm-1 View
- 16 617.01 cm-1 View
- 17 658.74 cm-1 View
- 18 668.40 cm-1 View
- 19 790.46 cm-1 View
- 20 845.35 cm-1 View
- 21 873.59 cm-1 View
- 22 904.54 cm-1 View
- 23 932.30 cm-1 View
- 24 946.66 cm-1 View
- 25 982.77 cm-1 View
- 26 994.47 cm-1 View
- 27 1020.73 cm-1 View
- 28 1065.76 cm-1 View
- 29 1071.25 cm-1 View
- 30 1146.98 cm-1 View
- 31 1186.29 cm-1 View
- 32 1219.47 cm-1 View
- 33 1239.97 cm-1 View
- 34 1268.22 cm-1 View
- 35 1285.59 cm-1 View
- 36 1349.66 cm-1 View
- 37 1382.59 cm-1 View
- 38 1412.17 cm-1 View
- 39 1437.17 cm-1 View
- 40 1657.36 cm-1 View
- 41 1878.82 cm-1 View
- 42 1976.13 cm-1 View
- 43 2767.40 cm-1 View
- 44 2910.51 cm-1 View
- 45 2983.04 cm-1 View
- 46 2997.98 cm-1 View
- 47 3014.79 cm-1 View
- 48 3032.66 cm-1 View
- 49 3035.09 cm-1 View
- 50 3391.17 cm-1 View
- 51 3848.99 cm-1 View