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 | 504.10 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 514.01 | 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 | 148.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 181.58 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.73 | J mol-1 K-1 |
| Rotational | 125.63 | J mol-1 K-1 |
| Vibrational | 170.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 467.07 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -638.58 | kJ mol-1 |
Molecular Orbitals
- 1 -552.11 eV View
- 2 -551.70 eV View
- 3 -550.80 eV View
- 4 -303.81 eV View
- 5 -302.68 eV View
- 6 -301.46 eV View
- 7 -301.01 eV View
- 8 -300.93 eV View
- 9 -300.71 eV View
- 10 -300.47 eV View
- 11 -37.72 eV View
- 12 -36.16 eV View
- 13 -34.36 eV View
- 14 -29.09 eV View
- 15 -26.95 eV View
- 16 -25.81 eV View
- 17 -23.60 eV View
- 18 -21.89 eV View
- 19 -19.86 eV View
- 20 -18.65 eV View
- 21 -16.96 eV View
- 22 -16.44 eV View
- 23 -16.21 eV View
- 24 -15.71 eV View
- 25 -15.61 eV View
- 26 -15.43 eV View
- 27 -14.58 eV View
- 28 -14.29 eV View
- 29 -14.14 eV View
- 30 -13.65 eV View
- 31 -13.14 eV View
- 32 -12.81 eV View
- 33 -12.15 eV View
- 34 -11.98 eV View
- 35 -11.75 eV View
- 36 -10.79 eV View
- 37 -9.30 eV View
- 38 -9.06 eV View
- 39 -8.83 eV View
- 40 7.91 eV View
- 41 8.43 eV View
- 42 14.74 eV View
- 43 14.95 eV View
- 44 16.11 eV View
- 45 17.26 eV View
- 46 17.49 eV View
- 47 17.88 eV View
- 48 18.26 eV View
- 49 18.67 eV View
- 50 18.94 eV View
- 51 19.03 eV View
- 52 19.62 eV View
- 53 19.84 eV View
- 54 19.89 eV View
- 55 20.12 eV View
- 56 20.46 eV View
- 57 21.14 eV View
- 58 21.40 eV View
- 59 22.05 eV View
- 60 22.45 eV View
- 61 27.26 eV View
- 62 27.76 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 17.59 cm-1 View
- 2 37.05 cm-1 View
- 3 52.23 cm-1 View
- 4 80.23 cm-1 View
- 5 129.28 cm-1 View
- 6 147.16 cm-1 View
- 7 174.69 cm-1 View
- 8 222.39 cm-1 View
- 9 271.84 cm-1 View
- 10 320.67 cm-1 View
- 11 338.60 cm-1 View
- 12 426.95 cm-1 View
- 13 454.52 cm-1 View
- 14 516.22 cm-1 View
- 15 527.55 cm-1 View
- 16 555.89 cm-1 View
- 17 605.21 cm-1 View
- 18 704.01 cm-1 View
- 19 792.08 cm-1 View
- 20 842.17 cm-1 View
- 21 905.81 cm-1 View
- 22 939.71 cm-1 View
- 23 966.39 cm-1 View
- 24 997.24 cm-1 View
- 25 1015.97 cm-1 View
- 26 1048.61 cm-1 View
- 27 1082.52 cm-1 View
- 28 1122.14 cm-1 View
- 29 1129.59 cm-1 View
- 30 1133.74 cm-1 View
- 31 1150.92 cm-1 View
- 32 1187.98 cm-1 View
- 33 1225.33 cm-1 View
- 34 1228.31 cm-1 View
- 35 1282.56 cm-1 View
- 36 1328.50 cm-1 View
- 37 1366.32 cm-1 View
- 38 1385.19 cm-1 View
- 39 1389.15 cm-1 View
- 40 1393.64 cm-1 View
- 41 1394.52 cm-1 View
- 42 1405.21 cm-1 View
- 43 1406.86 cm-1 View
- 44 1407.82 cm-1 View
- 45 1424.89 cm-1 View
- 46 1432.49 cm-1 View
- 47 1973.35 cm-1 View
- 48 1981.53 cm-1 View
- 49 2858.16 cm-1 View
- 50 2943.88 cm-1 View
- 51 2951.59 cm-1 View
- 52 3026.03 cm-1 View
- 53 3031.37 cm-1 View
- 54 3079.63 cm-1 View
- 55 3080.21 cm-1 View
- 56 3084.62 cm-1 View
- 57 3088.81 cm-1 View
- 58 3177.88 cm-1 View
- 59 3180.85 cm-1 View
- 60 3850.28 cm-1 View