Sulfanylidenemagnesium

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational2.48kJ mol-1
Vibrational6.02kJ mol-1
Total (Trans. + Rot. + Vib.)14.70kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational8.31J mol-1 K-1
Vibrational1.63J mol-1 K-1
Total (Trans. + Rot. + Vib.)30.73J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.94J mol-1 K-1
Rotational61.05J mol-1 K-1
Vibrational0.41J mol-1 K-1
Total (Trans. + Rot. + Vib.)220.40J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation177.08kJ mol-1

Molecular Orbitals


Calculation failed

INPUT FOR ISOTROPIC DIELECTRICS
-------------------------------
EPS= 78.39
INPUT FOR CAVITY DEFINITION
---------------------------
ATOM COORDINATES RADIUS
1 -0.9203 0.0500 -1.8542 0.0000
2 0.6058 0.8537 -1.2220 1.8500
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Wed Aug 29 09:14:34 2018