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 | 57.90 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 67.81 | 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 | 34.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 67.67 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.73 | J mol-1 K-1 |
| Rotational | 100.93 | J mol-1 K-1 |
| Vibrational | 25.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 287.95 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1393.52 | kJ mol-1 |
Calculation failed
NPFUNC= 0 DIFFS= F BASNAM=RUN TITLE
---------
6ffb7388b22bd68329177cd2e3ccb2f2.log
THE POINT GROUP OF THE MOLECULE IS C1
THE ORDER OF THE PRINCIPAL AXIS IS 0
UNABLE TO GENERATE PRINCIPAL AXES
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Wed Sep 30 03:39:27 2020