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 | 332.70 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 342.61 | 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 | 66.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 99.81 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.77 | J mol-1 K-1 |
| Rotational | 108.22 | J mol-1 K-1 |
| Vibrational | 54.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 325.11 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -300.31 | kJ mol-1 |
Molecular Orbitals
- 1 -704.89 eV View
- 2 -302.40 eV View
- 3 -300.66 eV View
- 4 -300.45 eV View
- 5 -300.34 eV View
- 6 -40.27 eV View
- 7 -27.99 eV View
- 8 -25.87 eV View
- 9 -22.54 eV View
- 10 -20.45 eV View
- 11 -16.92 eV View
- 12 -16.05 eV View
- 13 -15.55 eV View
- 14 -14.87 eV View
- 15 -13.99 eV View
- 16 -13.48 eV View
- 17 -12.86 eV View
- 18 -12.78 eV View
- 19 -12.15 eV View
- 20 -10.62 eV View
- 21 -10.32 eV View
- 22 14.83 eV View
- 23 15.95 eV View
- 24 17.50 eV View
- 25 17.72 eV View
- 26 18.12 eV View
- 27 19.74 eV View
- 28 19.75 eV View
- 29 20.08 eV View
- 30 20.18 eV View
- 31 20.89 eV View
- 32 21.05 eV View
- 33 21.38 eV View
- 34 21.91 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 90.60 cm-1 View
- 2 181.85 cm-1 View
- 3 200.15 cm-1 View
- 4 272.42 cm-1 View
- 5 401.56 cm-1 View
- 6 497.83 cm-1 View
- 7 537.53 cm-1 View
- 8 837.39 cm-1 View
- 9 890.14 cm-1 View
- 10 978.43 cm-1 View
- 11 993.24 cm-1 View
- 12 1042.16 cm-1 View
- 13 1102.27 cm-1 View
- 14 1111.26 cm-1 View
- 15 1133.72 cm-1 View
- 16 1139.11 cm-1 View
- 17 1150.83 cm-1 View
- 18 1226.88 cm-1 View
- 19 1341.24 cm-1 View
- 20 1388.70 cm-1 View
- 21 1395.79 cm-1 View
- 22 1401.65 cm-1 View
- 23 1406.70 cm-1 View
- 24 1407.80 cm-1 View
- 25 1410.78 cm-1 View
- 26 1426.98 cm-1 View
- 27 1500.35 cm-1 View
- 28 2880.46 cm-1 View
- 29 2966.81 cm-1 View
- 30 3041.06 cm-1 View
- 31 3080.41 cm-1 View
- 32 3085.87 cm-1 View
- 33 3090.96 cm-1 View
- 34 3096.78 cm-1 View
- 35 3181.88 cm-1 View
- 36 3187.37 cm-1 View