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 | 290.24 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 300.15 | 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 | 95.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 129.23 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.04 | J mol-1 K-1 |
| Rotational | 118.18 | J mol-1 K-1 |
| Vibrational | 64.74 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 350.96 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 849.62 | kJ mol-1 |
Molecular Orbitals
- 1 -1858.57 eV View
- 2 -305.23 eV View
- 3 -305.12 eV View
- 4 -305.06 eV View
- 5 -305.05 eV View
- 6 -304.72 eV View
- 7 -304.41 eV View
- 8 -171.27 eV View
- 9 -130.89 eV View
- 10 -117.56 eV View
- 11 -117.52 eV View
- 12 -117.51 eV View
- 13 -34.60 eV View
- 14 -31.09 eV View
- 15 -30.59 eV View
- 16 -26.60 eV View
- 17 -25.33 eV View
- 18 -24.33 eV View
- 19 -21.85 eV View
- 20 -20.59 eV View
- 21 -19.83 eV View
- 22 -19.32 eV View
- 23 -18.80 eV View
- 24 -18.48 eV View
- 25 -18.06 eV View
- 26 -16.91 eV View
- 27 -15.87 eV View
- 28 -14.94 eV View
- 29 -12.49 eV View
- 30 -12.28 eV View
- 31 -2.79 eV View
- 32 -1.06 eV View
- 33 1.77 eV View
- 34 2.34 eV View
- 35 4.06 eV View
- 36 5.52 eV View
- 37 6.33 eV View
- 38 7.87 eV View
- 39 9.95 eV View
- 40 11.15 eV View
- 41 12.12 eV View
- 42 12.95 eV View
- 43 15.08 eV View
- 44 15.72 eV View
- 45 15.96 eV View
- 46 18.22 eV View
- 47 18.90 eV View
- 48 19.72 eV View
- 49 20.91 eV View
- 50 25.02 eV View
- 51 26.36 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 116.53 cm-1 View
- 2 174.44 cm-1 View
- 3 256.48 cm-1 View
- 4 278.98 cm-1 View
- 5 372.24 cm-1 View
- 6 406.13 cm-1 View
- 7 439.66 cm-1 View
- 8 555.37 cm-1 View
- 9 568.36 cm-1 View
- 10 607.29 cm-1 View
- 11 658.49 cm-1 View
- 12 698.68 cm-1 View
- 13 707.25 cm-1 View
- 14 783.02 cm-1 View
- 15 831.96 cm-1 View
- 16 854.78 cm-1 View
- 17 899.76 cm-1 View
- 18 902.40 cm-1 View
- 19 970.15 cm-1 View
- 20 1028.39 cm-1 View
- 21 1044.40 cm-1 View
- 22 1091.17 cm-1 View
- 23 1131.38 cm-1 View
- 24 1145.24 cm-1 View
- 25 1174.92 cm-1 View
- 26 1255.82 cm-1 View
- 27 1420.94 cm-1 View
- 28 1511.27 cm-1 View
- 29 1550.42 cm-1 View
- 30 1676.40 cm-1 View
- 31 1762.66 cm-1 View
- 32 1827.48 cm-1 View
- 33 1840.54 cm-1 View
- 34 1868.64 cm-1 View
- 35 1882.18 cm-1 View
- 36 3042.16 cm-1 View
- 37 3051.35 cm-1 View
- 38 3059.49 cm-1 View
- 39 3069.94 cm-1 View