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 | 106.88 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 116.80 | 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 | 75.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 108.71 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.45 | J mol-1 K-1 |
| Rotational | 116.96 | J mol-1 K-1 |
| Vibrational | 69.62 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 356.02 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -504.71 | kJ mol-1 |
Molecular Orbitals
- 1 -2479.51 eV View
- 2 -2479.51 eV View
- 3 -550.77 eV View
- 4 -550.77 eV View
- 5 -550.17 eV View
- 6 -550.17 eV View
- 7 -244.55 eV View
- 8 -244.51 eV View
- 9 -180.26 eV View
- 10 -180.21 eV View
- 11 -180.13 eV View
- 12 -180.07 eV View
- 13 -180.03 eV View
- 14 -179.99 eV View
- 15 -36.74 eV View
- 16 -36.33 eV View
- 17 -34.06 eV View
- 18 -34.03 eV View
- 19 -27.33 eV View
- 20 -21.52 eV View
- 21 -18.09 eV View
- 22 -16.14 eV View
- 23 -16.00 eV View
- 24 -15.12 eV View
- 25 -13.69 eV View
- 26 -13.28 eV View
- 27 -11.55 eV View
- 28 -10.61 eV View
- 29 -10.36 eV View
- 30 -10.22 eV View
- 31 -9.70 eV View
- 32 -6.90 eV View
- 33 -5.87 eV View
- 34 1.10 eV View
- 35 8.17 eV View
- 36 8.32 eV View
- 37 14.37 eV View
- 38 14.63 eV View
- 39 18.57 eV View
- 40 18.89 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 17.59 cm-1 View
- 2 94.98 cm-1 View
- 3 128.01 cm-1 View
- 4 185.28 cm-1 View
- 5 267.15 cm-1 View
- 6 330.22 cm-1 View
- 7 361.49 cm-1 View
- 8 380.12 cm-1 View
- 9 394.68 cm-1 View
- 10 408.83 cm-1 View
- 11 705.78 cm-1 View
- 12 785.43 cm-1 View
- 13 889.89 cm-1 View
- 14 908.21 cm-1 View
- 15 1165.28 cm-1 View
- 16 1168.79 cm-1 View
- 17 3861.39 cm-1 View
- 18 3862.24 cm-1 View