Dichlorogermane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational46.67kJ mol-1
Total (Trans. + Rot. + Vib.)56.58kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational40.33J mol-1 K-1
Total (Trans. + Rot. + Vib.)73.58J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.89J mol-1 K-1
Rotational111.89J mol-1 K-1
Vibrational34.26J mol-1 K-1
Total (Trans. + Rot. + Vib.)317.04J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-193.12kJ mol-1

Calculation failed


INPUT FOR CAVITY DEFINITION
---------------------------
ATOM COORDINATES RADIUS
1 0.9984 -0.0649 -0.0230 1.8100
2 3.8606 1.1910 -1.6103 1.8100
3 3.1812 -0.0965 0.0170 0.0000
4 3.6667 -1.4960 -0.2147 1.2000
5 3.6667 0.4510 1.3258 1.2000
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Tue Aug 28 09:12:06 2018