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 | 307.88 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 317.79 | 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 | 96.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 129.99 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.07 | J mol-1 K-1 |
| Rotational | 119.65 | J mol-1 K-1 |
| Vibrational | 88.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 377.13 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -387.59 | kJ mol-1 |
Molecular Orbitals
- 1 -553.14 eV View
- 2 -552.57 eV View
- 3 -550.97 eV View
- 4 -303.89 eV View
- 5 -303.25 eV View
- 6 -302.39 eV View
- 7 -300.87 eV View
- 8 -300.56 eV View
- 9 -300.25 eV View
- 10 -37.88 eV View
- 11 -37.05 eV View
- 12 -34.63 eV View
- 13 -28.93 eV View
- 14 -27.68 eV View
- 15 -24.00 eV View
- 16 -22.10 eV View
- 17 -20.30 eV View
- 18 -19.09 eV View
- 19 -18.21 eV View
- 20 -17.26 eV View
- 21 -16.81 eV View
- 22 -15.66 eV View
- 23 -15.01 eV View
- 24 -14.40 eV View
- 25 -13.97 eV View
- 26 -13.56 eV View
- 27 -12.72 eV View
- 28 -12.42 eV View
- 29 -11.31 eV View
- 30 -10.77 eV View
- 31 -9.37 eV View
- 32 -9.26 eV View
- 33 -6.50 eV View
- 34 5.98 eV View
- 35 8.57 eV View
- 36 10.61 eV View
- 37 13.04 eV View
- 38 14.96 eV View
- 39 15.86 eV View
- 40 16.52 eV View
- 41 16.89 eV View
- 42 17.25 eV View
- 43 18.23 eV View
- 44 18.97 eV View
- 45 20.73 eV View
- 46 21.92 eV View
- 47 22.41 eV View
- 48 24.72 eV View
- 49 26.67 eV View
- 50 27.31 eV View
- 51 29.62 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 31.88 cm-1 View
- 2 56.47 cm-1 View
- 3 183.11 cm-1 View
- 4 279.90 cm-1 View
- 5 325.07 cm-1 View
- 6 402.22 cm-1 View
- 7 420.57 cm-1 View
- 8 482.00 cm-1 View
- 9 559.25 cm-1 View
- 10 607.88 cm-1 View
- 11 618.23 cm-1 View
- 12 695.75 cm-1 View
- 13 755.49 cm-1 View
- 14 822.65 cm-1 View
- 15 885.94 cm-1 View
- 16 935.40 cm-1 View
- 17 939.11 cm-1 View
- 18 989.03 cm-1 View
- 19 1012.21 cm-1 View
- 20 1016.46 cm-1 View
- 21 1082.83 cm-1 View
- 22 1108.64 cm-1 View
- 23 1130.39 cm-1 View
- 24 1133.69 cm-1 View
- 25 1205.61 cm-1 View
- 26 1283.77 cm-1 View
- 27 1309.00 cm-1 View
- 28 1358.80 cm-1 View
- 29 1425.55 cm-1 View
- 30 1457.30 cm-1 View
- 31 1805.03 cm-1 View
- 32 1854.04 cm-1 View
- 33 1980.86 cm-1 View
- 34 2872.65 cm-1 View
- 35 3061.96 cm-1 View
- 36 3069.65 cm-1 View
- 37 3079.40 cm-1 View
- 38 3096.49 cm-1 View
- 39 3882.99 cm-1 View