Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational421.12kJ mol-1
Total (Trans. + Rot. + Vib.)431.04kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational106.61J mol-1 K-1
Total (Trans. + Rot. + Vib.)139.87J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.06J mol-1 K-1
Rotational116.05J mol-1 K-1
Vibrational90.85J mol-1 K-1
Total (Trans. + Rot. + Vib.)372.97J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-105.62kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 74.49 cm-1 View
  • 2 132.33 cm-1 View
  • 3 174.40 cm-1 View
  • 4 184.38 cm-1 View
  • 5 215.03 cm-1 View
  • 6 273.12 cm-1 View
  • 7 305.98 cm-1 View
  • 8 394.28 cm-1 View
  • 9 456.96 cm-1 View
  • 10 499.22 cm-1 View
  • 11 545.57 cm-1 View
  • 12 552.43 cm-1 View
  • 13 648.63 cm-1 View
  • 14 815.13 cm-1 View
  • 15 864.13 cm-1 View
  • 16 979.87 cm-1 View
  • 17 989.65 cm-1 View
  • 18 1006.94 cm-1 View
  • 19 1025.70 cm-1 View
  • 20 1048.79 cm-1 View
  • 21 1067.67 cm-1 View
  • 22 1155.06 cm-1 View
  • 23 1170.93 cm-1 View
  • 24 1182.16 cm-1 View
  • 25 1241.92 cm-1 View
  • 26 1299.26 cm-1 View
  • 27 1362.70 cm-1 View
  • 28 1380.49 cm-1 View
  • 29 1388.10 cm-1 View
  • 30 1398.99 cm-1 View
  • 31 1402.88 cm-1 View
  • 32 1410.81 cm-1 View
  • 33 1421.11 cm-1 View
  • 34 1435.33 cm-1 View
  • 35 1457.48 cm-1 View
  • 36 1492.93 cm-1 View
  • 37 1830.84 cm-1 View
  • 38 2889.33 cm-1 View
  • 39 2998.37 cm-1 View
  • 40 3034.35 cm-1 View
  • 41 3036.09 cm-1 View
  • 42 3038.31 cm-1 View
  • 43 3040.92 cm-1 View
  • 44 3049.00 cm-1 View
  • 45 3066.03 cm-1 View
  • 46 3116.21 cm-1 View
  • 47 3136.56 cm-1 View
  • 48 3142.46 cm-1 View