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 | 294.86 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 304.77 | 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 | 93.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 126.75 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.37 | J mol-1 K-1 |
| Rotational | 118.06 | J mol-1 K-1 |
| Vibrational | 99.49 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 384.92 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -467.52 | kJ mol-1 |
Molecular Orbitals
- 1 -707.02 eV View
- 2 -553.57 eV View
- 3 -551.58 eV View
- 4 -551.23 eV View
- 5 -302.61 eV View
- 6 -302.49 eV View
- 7 -302.10 eV View
- 8 -41.76 eV View
- 9 -36.08 eV View
- 10 -35.26 eV View
- 11 -33.29 eV View
- 12 -26.44 eV View
- 13 -23.79 eV View
- 14 -20.95 eV View
- 15 -18.10 eV View
- 16 -17.48 eV View
- 17 -16.82 eV View
- 18 -15.78 eV View
- 19 -15.55 eV View
- 20 -15.16 eV View
- 21 -14.04 eV View
- 22 -13.84 eV View
- 23 -13.61 eV View
- 24 -11.81 eV View
- 25 -11.46 eV View
- 26 -11.08 eV View
- 27 -10.09 eV View
- 28 -9.89 eV View
- 29 -9.56 eV View
- 30 11.12 eV View
- 31 13.86 eV View
- 32 15.21 eV View
- 33 15.78 eV View
- 34 17.04 eV View
- 35 17.77 eV View
- 36 18.28 eV View
- 37 18.45 eV View
- 38 19.06 eV View
- 39 19.90 eV View
- 40 19.97 eV View
- 41 21.18 eV View
- 42 21.46 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 33.31 cm-1 View
- 2 51.62 cm-1 View
- 3 111.38 cm-1 View
- 4 226.50 cm-1 View
- 5 256.44 cm-1 View
- 6 295.55 cm-1 View
- 7 342.29 cm-1 View
- 8 380.86 cm-1 View
- 9 427.95 cm-1 View
- 10 529.05 cm-1 View
- 11 658.05 cm-1 View
- 12 886.33 cm-1 View
- 13 913.09 cm-1 View
- 14 947.42 cm-1 View
- 15 979.24 cm-1 View
- 16 1041.45 cm-1 View
- 17 1066.39 cm-1 View
- 18 1089.43 cm-1 View
- 19 1102.14 cm-1 View
- 20 1137.36 cm-1 View
- 21 1150.57 cm-1 View
- 22 1210.91 cm-1 View
- 23 1279.31 cm-1 View
- 24 1325.78 cm-1 View
- 25 1354.82 cm-1 View
- 26 1378.46 cm-1 View
- 27 1379.98 cm-1 View
- 28 1384.47 cm-1 View
- 29 1396.55 cm-1 View
- 30 2830.29 cm-1 View
- 31 2933.12 cm-1 View
- 32 2945.73 cm-1 View
- 33 2989.05 cm-1 View
- 34 3025.66 cm-1 View
- 35 3888.46 cm-1 View
- 36 3898.25 cm-1 View