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 | 139.91 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 149.83 | 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 | 147.36 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 180.61 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 173.08 | J mol-1 K-1 |
| Rotational | 125.51 | J mol-1 K-1 |
| Vibrational | 148.06 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 446.66 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 473.77 | kJ mol-1 |
Molecular Orbitals
- 1 -1850.51 eV View
- 2 -1850.51 eV View
- 3 -1850.51 eV View
- 4 -1850.51 eV View
- 5 -1850.51 eV View
- 6 -1850.51 eV View
- 7 -163.64 eV View
- 8 -163.64 eV View
- 9 -163.64 eV View
- 10 -163.63 eV View
- 11 -163.63 eV View
- 12 -163.62 eV View
- 13 -110.00 eV View
- 14 -110.00 eV View
- 15 -110.00 eV View
- 16 -110.00 eV View
- 17 -109.99 eV View
- 18 -109.99 eV View
- 19 -109.97 eV View
- 20 -109.90 eV View
- 21 -109.90 eV View
- 22 -109.87 eV View
- 23 -109.86 eV View
- 24 -109.86 eV View
- 25 -109.84 eV View
- 26 -109.84 eV View
- 27 -109.84 eV View
- 28 -109.80 eV View
- 29 -109.80 eV View
- 30 -109.78 eV View
- 31 -21.81 eV View
- 32 -19.74 eV View
- 33 -19.74 eV View
- 34 -16.43 eV View
- 35 -16.43 eV View
- 36 -14.39 eV View
- 37 -14.04 eV View
- 38 -12.18 eV View
- 39 -12.18 eV View
- 40 -10.77 eV View
- 41 -10.25 eV View
- 42 -10.25 eV View
- 43 -9.39 eV View
- 44 -6.52 eV View
- 45 -6.52 eV View
- 46 3.17 eV View
- 47 3.17 eV View
- 48 7.59 eV View
- 49 8.93 eV View
- 50 8.93 eV View
- 51 9.08 eV View
- 52 9.13 eV View
- 53 9.48 eV View
- 54 9.48 eV View
- 55 14.78 eV View
- 56 14.78 eV View
- 57 16.44 eV View
- 58 16.44 eV View
- 59 17.88 eV View
- 60 22.50 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 5.08 cm-1 View
- 2 104.15 cm-1 View
- 3 104.16 cm-1 View
- 4 116.67 cm-1 View
- 5 116.71 cm-1 View
- 6 166.86 cm-1 View
- 7 191.02 cm-1 View
- 8 196.53 cm-1 View
- 9 196.57 cm-1 View
- 10 225.10 cm-1 View
- 11 234.94 cm-1 View
- 12 234.95 cm-1 View
- 13 349.77 cm-1 View
- 14 454.97 cm-1 View
- 15 455.04 cm-1 View
- 16 487.05 cm-1 View
- 17 487.25 cm-1 View
- 18 507.14 cm-1 View
- 19 524.73 cm-1 View
- 20 575.59 cm-1 View
- 21 575.64 cm-1 View
- 22 575.70 cm-1 View
- 23 609.96 cm-1 View
- 24 609.99 cm-1 View
- 25 1864.21 cm-1 View
- 26 1865.79 cm-1 View
- 27 1866.36 cm-1 View
- 28 1866.38 cm-1 View
- 29 1866.44 cm-1 View
- 30 1866.46 cm-1 View