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 | 300.00 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 309.92 | 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 | 111.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 144.86 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.48 | J mol-1 K-1 |
| Rotational | 114.27 | J mol-1 K-1 |
| Vibrational | 114.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 396.69 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -163.72 | kJ mol-1 |
Molecular Orbitals
- 1 -2164.15 eV View
- 2 -557.63 eV View
- 3 -557.15 eV View
- 4 -556.76 eV View
- 5 -308.20 eV View
- 6 -306.83 eV View
- 7 -212.46 eV View
- 8 -153.41 eV View
- 9 -153.40 eV View
- 10 -153.39 eV View
- 11 -42.39 eV View
- 12 -40.92 eV View
- 13 -40.85 eV View
- 14 -32.84 eV View
- 15 -30.61 eV View
- 16 -26.56 eV View
- 17 -24.34 eV View
- 18 -23.56 eV View
- 19 -21.86 eV View
- 20 -21.55 eV View
- 21 -21.14 eV View
- 22 -20.18 eV View
- 23 -19.80 eV View
- 24 -19.17 eV View
- 25 -17.39 eV View
- 26 -17.29 eV View
- 27 -16.54 eV View
- 28 -16.08 eV View
- 29 -15.21 eV View
- 30 2.71 eV View
- 31 4.12 eV View
- 32 4.92 eV View
- 33 7.00 eV View
- 34 11.22 eV View
- 35 12.30 eV View
- 36 12.74 eV View
- 37 12.92 eV View
- 38 13.52 eV View
- 39 13.77 eV View
- 40 14.57 eV View
- 41 14.80 eV View
- 42 15.11 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 33.11 cm-1 View
- 2 80.37 cm-1 View
- 3 147.16 cm-1 View
- 4 176.74 cm-1 View
- 5 229.67 cm-1 View
- 6 238.37 cm-1 View
- 7 268.06 cm-1 View
- 8 290.35 cm-1 View
- 9 300.11 cm-1 View
- 10 325.11 cm-1 View
- 11 339.83 cm-1 View
- 12 584.00 cm-1 View
- 13 690.79 cm-1 View
- 14 762.90 cm-1 View
- 15 770.38 cm-1 View
- 16 833.94 cm-1 View
- 17 897.67 cm-1 View
- 18 925.87 cm-1 View
- 19 966.66 cm-1 View
- 20 994.04 cm-1 View
- 21 1036.33 cm-1 View
- 22 1123.47 cm-1 View
- 23 1240.91 cm-1 View
- 24 1341.38 cm-1 View
- 25 1352.04 cm-1 View
- 26 1376.58 cm-1 View
- 27 1388.49 cm-1 View
- 28 1397.13 cm-1 View
- 29 2947.65 cm-1 View
- 30 3017.00 cm-1 View
- 31 3078.86 cm-1 View
- 32 3088.26 cm-1 View
- 33 3207.70 cm-1 View
- 34 3865.81 cm-1 View
- 35 3920.34 cm-1 View
- 36 3930.01 cm-1 View