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 | 380.04 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 389.96 | 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 | 92.18 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 125.44 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.88 | J mol-1 K-1 |
| Rotational | 112.94 | J mol-1 K-1 |
| Vibrational | 84.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 361.82 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -215.55 | kJ mol-1 |
Molecular Orbitals
- 1 -550.69 eV View
- 2 -416.70 eV View
- 3 -416.40 eV View
- 4 -302.62 eV View
- 5 -301.44 eV View
- 6 -301.00 eV View
- 7 -35.27 eV View
- 8 -30.88 eV View
- 9 -30.39 eV View
- 10 -25.00 eV View
- 11 -22.85 eV View
- 12 -20.92 eV View
- 13 -17.43 eV View
- 14 -16.69 eV View
- 15 -15.97 eV View
- 16 -15.34 eV View
- 17 -14.95 eV View
- 18 -14.49 eV View
- 19 -13.42 eV View
- 20 -13.00 eV View
- 21 -12.44 eV View
- 22 -10.88 eV View
- 23 -9.72 eV View
- 24 -8.93 eV View
- 25 -8.04 eV View
- 26 14.78 eV View
- 27 15.59 eV View
- 28 16.72 eV View
- 29 17.55 eV View
- 30 17.89 eV View
- 31 18.03 eV View
- 32 18.55 eV View
- 33 19.14 eV View
- 34 19.53 eV View
- 35 19.93 eV View
- 36 20.47 eV View
- 37 20.64 eV View
- 38 21.56 eV View
- 39 21.65 eV View
- 40 22.16 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
|
- 1 75.28 cm-1 View
- 2 100.73 cm-1 View
- 3 158.07 cm-1 View
- 4 214.55 cm-1 View
- 5 236.81 cm-1 View
- 6 296.43 cm-1 View
- 7 329.56 cm-1 View
- 8 394.24 cm-1 View
- 9 478.10 cm-1 View
- 10 535.48 cm-1 View
- 11 866.55 cm-1 View
- 12 876.52 cm-1 View
- 13 923.59 cm-1 View
- 14 985.64 cm-1 View
- 15 1038.89 cm-1 View
- 16 1062.36 cm-1 View
- 17 1071.37 cm-1 View
- 18 1083.99 cm-1 View
- 19 1106.03 cm-1 View
- 20 1144.97 cm-1 View
- 21 1162.03 cm-1 View
- 22 1175.25 cm-1 View
- 23 1210.39 cm-1 View
- 24 1281.70 cm-1 View
- 25 1311.16 cm-1 View
- 26 1344.49 cm-1 View
- 27 1378.58 cm-1 View
- 28 1379.95 cm-1 View
- 29 1387.19 cm-1 View
- 30 1397.54 cm-1 View
- 31 1431.20 cm-1 View
- 32 1667.02 cm-1 View
- 33 2802.12 cm-1 View
- 34 2925.43 cm-1 View
- 35 2995.24 cm-1 View
- 36 3043.34 cm-1 View
- 37 3059.65 cm-1 View
- 38 3137.08 cm-1 View
- 39 3360.99 cm-1 View
- 40 3388.55 cm-1 View
- 41 3523.11 cm-1 View
- 42 3892.81 cm-1 View