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 | 291.83 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 301.74 | 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 | 206.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 239.87 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 173.44 | J mol-1 K-1 |
| Rotational | 129.31 | J mol-1 K-1 |
| Vibrational | 189.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 492.17 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 200.70 | kJ mol-1 |
Molecular Orbitals
- 1 -1852.25 eV View
- 2 -1850.94 eV View
- 3 -1850.73 eV View
- 4 -1850.41 eV View
- 5 -1848.65 eV View
- 6 -165.05 eV View
- 7 -163.86 eV View
- 8 -163.56 eV View
- 9 -163.22 eV View
- 10 -161.65 eV View
- 11 -123.79 eV View
- 12 -122.80 eV View
- 13 -122.69 eV View
- 14 -111.35 eV View
- 15 -111.32 eV View
- 16 -111.30 eV View
- 17 -110.14 eV View
- 18 -110.14 eV View
- 19 -110.14 eV View
- 20 -109.85 eV View
- 21 -109.84 eV View
- 22 -109.78 eV View
- 23 -109.51 eV View
- 24 -109.46 eV View
- 25 -109.44 eV View
- 26 -107.96 eV View
- 27 -107.91 eV View
- 28 -107.90 eV View
- 29 -22.08 eV View
- 30 -19.38 eV View
- 31 -19.19 eV View
- 32 -18.22 eV View
- 33 -16.99 eV View
- 34 -14.61 eV View
- 35 -14.20 eV View
- 36 -13.31 eV View
- 37 -12.86 eV View
- 38 -12.44 eV View
- 39 -12.06 eV View
- 40 -11.65 eV View
- 41 -11.29 eV View
- 42 -11.04 eV View
- 43 -9.90 eV View
- 44 -9.24 eV View
- 45 -7.80 eV View
- 46 -6.69 eV View
- 47 -5.85 eV View
- 48 3.16 eV View
- 49 4.35 eV View
- 50 5.11 eV View
- 51 5.91 eV View
- 52 6.75 eV View
- 53 7.44 eV View
- 54 9.21 eV View
- 55 10.03 eV View
- 56 10.36 eV View
- 57 11.32 eV View
- 58 11.92 eV View
- 59 12.03 eV View
- 60 12.91 eV View
- 61 13.51 eV View
- 62 14.05 eV View
- 63 14.16 eV View
- 64 14.83 eV View
- 65 14.91 eV View
- 66 16.02 eV View
- 67 16.61 eV View
- 68 17.38 eV View
- 69 17.63 eV View
- 70 18.88 eV View
- 71 19.31 eV View
- 72 23.12 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 15.39 cm-1 View
- 2 27.54 cm-1 View
- 3 44.47 cm-1 View
- 4 65.86 cm-1 View
- 5 72.70 cm-1 View
- 6 108.80 cm-1 View
- 7 161.06 cm-1 View
- 8 183.18 cm-1 View
- 9 213.29 cm-1 View
- 10 247.62 cm-1 View
- 11 260.77 cm-1 View
- 12 270.90 cm-1 View
- 13 289.55 cm-1 View
- 14 343.58 cm-1 View
- 15 349.45 cm-1 View
- 16 367.66 cm-1 View
- 17 373.89 cm-1 View
- 18 383.31 cm-1 View
- 19 414.25 cm-1 View
- 20 439.62 cm-1 View
- 21 445.24 cm-1 View
- 22 458.32 cm-1 View
- 23 481.84 cm-1 View
- 24 486.19 cm-1 View
- 25 517.46 cm-1 View
- 26 544.91 cm-1 View
- 27 568.03 cm-1 View
- 28 585.96 cm-1 View
- 29 602.98 cm-1 View
- 30 653.07 cm-1 View
- 31 712.23 cm-1 View
- 32 746.75 cm-1 View
- 33 750.79 cm-1 View
- 34 840.77 cm-1 View
- 35 848.30 cm-1 View
- 36 851.85 cm-1 View
- 37 861.80 cm-1 View
- 38 863.98 cm-1 View
- 39 865.78 cm-1 View
- 40 873.18 cm-1 View
- 41 1228.24 cm-1 View
- 42 1420.44 cm-1 View
- 43 1817.63 cm-1 View
- 44 1853.33 cm-1 View
- 45 1859.05 cm-1 View
- 46 1875.66 cm-1 View
- 47 1889.90 cm-1 View
- 48 1895.68 cm-1 View
- 49 1902.14 cm-1 View
- 50 1914.92 cm-1 View
- 51 1927.94 cm-1 View
- 52 1935.16 cm-1 View
- 53 1950.48 cm-1 View
- 54 1957.70 cm-1 View