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 | 161.63 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 171.55 | 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 | 88.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 121.41 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.44 | J mol-1 K-1 |
| Rotational | 119.05 | J mol-1 K-1 |
| Vibrational | 80.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 365.48 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 758.13 | kJ mol-1 |
Molecular Orbitals
- 1 -297.02 eV View
- 2 -297.02 eV View
- 3 -296.49 eV View
- 4 -296.28 eV View
- 5 -296.16 eV View
- 6 -296.15 eV View
- 7 -62.29 eV View
- 8 -62.16 eV View
- 9 -62.15 eV View
- 10 -62.02 eV View
- 11 -26.28 eV View
- 12 -22.40 eV View
- 13 -21.95 eV View
- 14 -16.69 eV View
- 15 -16.29 eV View
- 16 -13.31 eV View
- 17 -11.55 eV View
- 18 -10.32 eV View
- 19 -8.95 eV View
- 20 -7.99 eV View
- 21 -6.11 eV View
- 22 -4.39 eV View
- 23 -4.28 eV View
- 24 -4.18 eV View
- 25 -3.09 eV View
- 26 2.34 eV View
- 27 2.92 eV View
- 28 3.07 eV View
- 29 3.60 eV View
- 30 4.88 eV View
- 31 5.24 eV View
- 32 5.70 eV View
- 33 5.98 eV View
- 34 5.98 eV View
- 35 6.53 eV View
- 36 6.74 eV View
- 37 9.54 eV View
- 38 11.51 eV View
- 39 12.10 eV View
- 40 12.26 eV View
- 41 14.36 eV View
- 42 15.68 eV View
- 43 17.65 eV View
- 44 18.57 eV View
- 45 21.41 eV View
- 46 22.11 eV View
- 47 25.54 eV View
- 48 25.59 eV View
- 49 27.14 eV View
- 50 28.11 eV View
- 51 32.66 eV View
- 52 33.33 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 1.24 cm-1 View
- 2 1.38 cm-1 View
- 3 8.83 cm-1 View
- 4 19.73 cm-1 View
- 5 96.76 cm-1 View
- 6 103.57 cm-1 View
- 7 111.87 cm-1 View
- 8 170.94 cm-1 View
- 9 387.31 cm-1 View
- 10 389.92 cm-1 View
- 11 412.46 cm-1 View
- 12 447.16 cm-1 View
- 13 477.29 cm-1 View
- 14 542.75 cm-1 View
- 15 688.80 cm-1 View
- 16 702.16 cm-1 View
- 17 723.21 cm-1 View
- 18 863.09 cm-1 View
- 19 884.80 cm-1 View
- 20 974.10 cm-1 View
- 21 1082.12 cm-1 View
- 22 1138.94 cm-1 View
- 23 1222.96 cm-1 View
- 24 1311.31 cm-1 View
- 25 1400.92 cm-1 View
- 26 1428.47 cm-1 View
- 27 1676.44 cm-1 View
- 28 1683.87 cm-1 View
- 29 2949.17 cm-1 View
- 30 2951.31 cm-1 View