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 | 390.43 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 400.34 | 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 | 86.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 119.31 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.26 | J mol-1 K-1 |
| Rotational | 116.72 | J mol-1 K-1 |
| Vibrational | 35.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 321.78 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1178.43 | kJ mol-1 |
Molecular Orbitals
- 1 -301.66 eV View
- 2 -301.66 eV View
- 3 -300.58 eV View
- 4 -300.58 eV View
- 5 -300.58 eV View
- 6 -300.57 eV View
- 7 -299.53 eV View
- 8 -299.52 eV View
- 9 -299.52 eV View
- 10 -299.51 eV View
- 11 -33.81 eV View
- 12 -28.77 eV View
- 13 -28.00 eV View
- 14 -25.48 eV View
- 15 -23.44 eV View
- 16 -22.44 eV View
- 17 -19.49 eV View
- 18 -19.20 eV View
- 19 -18.72 eV View
- 20 -17.41 eV View
- 21 -17.03 eV View
- 22 -16.05 eV View
- 23 -15.27 eV View
- 24 -15.13 eV View
- 25 -14.27 eV View
- 26 -13.60 eV View
- 27 -12.92 eV View
- 28 -11.24 eV View
- 29 -10.34 eV View
- 30 -9.84 eV View
- 31 -9.71 eV View
- 32 -9.60 eV View
- 33 -9.01 eV View
- 34 -4.15 eV View
- 35 8.21 eV View
- 36 10.10 eV View
- 37 11.99 eV View
- 38 12.09 eV View
- 39 13.40 eV View
- 40 14.13 eV View
- 41 15.90 eV View
- 42 15.97 eV View
- 43 17.08 eV View
- 44 17.23 eV View
- 45 18.45 eV View
- 46 18.73 eV View
- 47 18.80 eV View
- 48 19.37 eV View
- 49 19.78 eV View
- 50 19.99 eV View
- 51 20.46 eV View
- 52 20.98 eV View
- 53 21.13 eV View
- 54 21.83 eV View
- 55 22.36 eV View
- 56 22.75 eV View
- 57 27.17 eV View
- 58 30.12 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
|
| Balls |
|
- 1 305.02 cm-1 View
- 2 396.83 cm-1 View
- 3 429.81 cm-1 View
- 4 467.84 cm-1 View
- 5 536.84 cm-1 View
- 6 595.16 cm-1 View
- 7 605.72 cm-1 View
- 8 699.75 cm-1 View
- 9 712.82 cm-1 View
- 10 727.95 cm-1 View
- 11 777.56 cm-1 View
- 12 855.72 cm-1 View
- 13 883.63 cm-1 View
- 14 902.95 cm-1 View
- 15 908.23 cm-1 View
- 16 924.04 cm-1 View
- 17 933.63 cm-1 View
- 18 940.97 cm-1 View
- 19 966.79 cm-1 View
- 20 1034.86 cm-1 View
- 21 1052.09 cm-1 View
- 22 1085.97 cm-1 View
- 23 1086.19 cm-1 View
- 24 1086.63 cm-1 View
- 25 1094.16 cm-1 View
- 26 1114.89 cm-1 View
- 27 1124.05 cm-1 View
- 28 1132.30 cm-1 View
- 29 1140.46 cm-1 View
- 30 1154.29 cm-1 View
- 31 1189.80 cm-1 View
- 32 1220.37 cm-1 View
- 33 1238.71 cm-1 View
- 34 1261.38 cm-1 View
- 35 1263.06 cm-1 View
- 36 1345.01 cm-1 View
- 37 1348.67 cm-1 View
- 38 1361.79 cm-1 View
- 39 1515.04 cm-1 View
- 40 1577.53 cm-1 View
- 41 3069.11 cm-1 View
- 42 3069.63 cm-1 View
- 43 3098.90 cm-1 View
- 44 3099.40 cm-1 View
- 45 3155.85 cm-1 View
- 46 3155.96 cm-1 View
- 47 3157.17 cm-1 View
- 48 3161.80 cm-1 View