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 | 364.72 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 374.64 | 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 | 55.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 88.37 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.68 | J mol-1 K-1 |
| Rotational | 111.03 | J mol-1 K-1 |
| Vibrational | 15.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 293.48 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 475.61 | kJ mol-1 |
Molecular Orbitals
- 1 -299.95 eV View
- 2 -299.95 eV View
- 3 -299.95 eV View
- 4 -299.95 eV View
- 5 -299.94 eV View
- 6 -299.94 eV View
- 7 -299.94 eV View
- 8 -299.93 eV View
- 9 -32.64 eV View
- 10 -25.43 eV View
- 11 -25.43 eV View
- 12 -25.43 eV View
- 13 -19.84 eV View
- 14 -19.84 eV View
- 15 -19.84 eV View
- 16 -18.40 eV View
- 17 -16.52 eV View
- 18 -14.77 eV View
- 19 -14.77 eV View
- 20 -14.77 eV View
- 21 -14.59 eV View
- 22 -14.59 eV View
- 23 -9.33 eV View
- 24 -9.33 eV View
- 25 -9.32 eV View
- 26 -9.25 eV View
- 27 -9.25 eV View
- 28 -9.25 eV View
- 29 12.91 eV View
- 30 12.91 eV View
- 31 12.91 eV View
- 32 15.31 eV View
- 33 15.31 eV View
- 34 15.31 eV View
- 35 15.61 eV View
- 36 19.25 eV View
- 37 19.25 eV View
- 38 19.26 eV View
- 39 19.33 eV View
- 40 19.33 eV View
- 41 19.33 eV View
- 42 19.53 eV View
- 43 19.86 eV View
- 44 19.86 eV View
- 45 23.72 eV View
- 46 23.72 eV View
- 47 23.72 eV View
- 48 31.85 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
|
- 1 592.08 cm-1 View
- 2 592.09 cm-1 View
- 3 795.51 cm-1 View
- 4 795.53 cm-1 View
- 5 795.54 cm-1 View
- 6 901.41 cm-1 View
- 7 901.45 cm-1 View
- 8 901.51 cm-1 View
- 9 929.37 cm-1 View
- 10 929.38 cm-1 View
- 11 929.42 cm-1 View
- 12 952.64 cm-1 View
- 13 952.65 cm-1 View
- 14 952.67 cm-1 View
- 15 986.23 cm-1 View
- 16 986.25 cm-1 View
- 17 1055.94 cm-1 View
- 18 1056.02 cm-1 View
- 19 1056.13 cm-1 View
- 20 1068.38 cm-1 View
- 21 1068.38 cm-1 View
- 22 1127.52 cm-1 View
- 23 1132.74 cm-1 View
- 24 1132.77 cm-1 View
- 25 1132.86 cm-1 View
- 26 1199.08 cm-1 View
- 27 1199.09 cm-1 View
- 28 1239.95 cm-1 View
- 29 1239.96 cm-1 View
- 30 1240.01 cm-1 View
- 31 1296.41 cm-1 View
- 32 1297.01 cm-1 View
- 33 1297.05 cm-1 View
- 34 1297.12 cm-1 View
- 35 3161.44 cm-1 View
- 36 3161.47 cm-1 View
- 37 3161.53 cm-1 View
- 38 3163.38 cm-1 View
- 39 3163.41 cm-1 View
- 40 3163.46 cm-1 View
- 41 3164.94 cm-1 View
- 42 3174.71 cm-1 View