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 | 289.25 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 299.16 | 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 | 76.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 109.85 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.73 | J mol-1 K-1 |
| Rotational | 112.50 | J mol-1 K-1 |
| Vibrational | 69.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 346.91 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -326.78 | kJ mol-1 |
Molecular Orbitals
- 1 -551.64 eV View
- 2 -551.26 eV View
- 3 -416.92 eV View
- 4 -302.41 eV View
- 5 -302.13 eV View
- 6 -301.79 eV View
- 7 -35.87 eV View
- 8 -35.46 eV View
- 9 -31.52 eV View
- 10 -25.86 eV View
- 11 -23.75 eV View
- 12 -19.80 eV View
- 13 -18.01 eV View
- 14 -17.04 eV View
- 15 -16.46 eV View
- 16 -15.68 eV View
- 17 -14.85 eV View
- 18 -14.11 eV View
- 19 -11.85 eV View
- 20 -11.59 eV View
- 21 -10.85 eV View
- 22 -10.25 eV View
- 23 -9.69 eV View
- 24 -8.67 eV View
- 25 7.52 eV View
- 26 15.08 eV View
- 27 15.89 eV View
- 28 16.53 eV View
- 29 17.24 eV View
- 30 17.71 eV View
- 31 18.56 eV View
- 32 18.93 eV View
- 33 19.59 eV View
- 34 20.45 eV View
- 35 21.02 eV View
- 36 22.62 eV View
- 37 27.59 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 43.59 cm-1 View
- 2 102.68 cm-1 View
- 3 279.38 cm-1 View
- 4 285.10 cm-1 View
- 5 356.16 cm-1 View
- 6 370.42 cm-1 View
- 7 411.06 cm-1 View
- 8 549.73 cm-1 View
- 9 628.13 cm-1 View
- 10 832.98 cm-1 View
- 11 909.38 cm-1 View
- 12 942.82 cm-1 View
- 13 950.51 cm-1 View
- 14 1047.45 cm-1 View
- 15 1062.11 cm-1 View
- 16 1099.60 cm-1 View
- 17 1118.88 cm-1 View
- 18 1128.26 cm-1 View
- 19 1262.49 cm-1 View
- 20 1325.77 cm-1 View
- 21 1345.45 cm-1 View
- 22 1351.01 cm-1 View
- 23 1375.46 cm-1 View
- 24 1379.62 cm-1 View
- 25 1415.25 cm-1 View
- 26 1885.93 cm-1 View
- 27 2912.80 cm-1 View
- 28 2934.01 cm-1 View
- 29 2978.16 cm-1 View
- 30 3007.05 cm-1 View
- 31 3462.61 cm-1 View
- 32 3874.76 cm-1 View
- 33 3886.59 cm-1 View