Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational229.77kJ mol-1
Total (Trans. + Rot. + Vib.)239.69kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational50.81J mol-1 K-1
Total (Trans. + Rot. + Vib.)84.07J mol-1 K-1
Entropy
PropertyValueUnit
Translational160.23J mol-1 K-1
Rotational101.18J mol-1 K-1
Vibrational45.56J mol-1 K-1
Total (Trans. + Rot. + Vib.)306.97J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation277.88kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 99.54 cm-1 View
  • 2 156.92 cm-1 View
  • 3 198.57 cm-1 View
  • 4 398.12 cm-1 View
  • 5 442.93 cm-1 View
  • 6 792.19 cm-1 View
  • 7 879.90 cm-1 View
  • 8 932.42 cm-1 View
  • 9 994.02 cm-1 View
  • 10 1025.30 cm-1 View
  • 11 1142.47 cm-1 View
  • 12 1190.85 cm-1 View
  • 13 1215.48 cm-1 View
  • 14 1232.11 cm-1 View
  • 15 1285.24 cm-1 View
  • 16 1311.98 cm-1 View
  • 17 1642.43 cm-1 View
  • 18 1647.20 cm-1 View
  • 19 3377.03 cm-1 View
  • 20 3379.54 cm-1 View
  • 21 3385.48 cm-1 View
  • 22 3390.01 cm-1 View
  • 23 3515.52 cm-1 View
  • 24 3521.43 cm-1 View