sodium

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational163.39kJ mol-1
Total (Trans. + Rot. + Vib.)173.31kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational93.16J mol-1 K-1
Total (Trans. + Rot. + Vib.)126.42J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.19J mol-1 K-1
Rotational126.57J mol-1 K-1
Vibrational96.90J mol-1 K-1
Total (Trans. + Rot. + Vib.)393.67J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation2903.62kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Calculation failed

3 -0.9811 -0.4667 -2.0292 1.8500
4 -0.8841 2.3376 -2.0051 1.6000
5 -3.0454 -2.6397 0.7876 2.3100
6 -3.2407 -0.9884 -2.6845 2.0000
7 -3.8286 0.3510 -2.9078 1.2000
8 -3.6802 -1.6666 -1.4630 1.2000
9 -3.0115 -1.8551 -3.8631 1.2000
10 -0.2726 3.1065 -2.1104 1.2000
11 -1.8265 2.5322 -1.7258 1.2000
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Thu Feb 7 20:05:48 2019