Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational511.52kJ mol-1
Total (Trans. + Rot. + Vib.)521.44kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational152.13J mol-1 K-1
Total (Trans. + Rot. + Vib.)185.39J mol-1 K-1
Entropy
PropertyValueUnit
Translational171.32J mol-1 K-1
Rotational126.49J mol-1 K-1
Vibrational161.71J mol-1 K-1
Total (Trans. + Rot. + Vib.)459.53J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-444.42kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 29.46 cm-1 View
  • 2 43.99 cm-1 View
  • 3 60.62 cm-1 View
  • 4 94.81 cm-1 View
  • 5 171.92 cm-1 View
  • 6 184.56 cm-1 View
  • 7 200.85 cm-1 View
  • 8 269.14 cm-1 View
  • 9 277.63 cm-1 View
  • 10 291.66 cm-1 View
  • 11 308.95 cm-1 View
  • 12 327.93 cm-1 View
  • 13 339.20 cm-1 View
  • 14 425.84 cm-1 View
  • 15 523.00 cm-1 View
  • 16 584.81 cm-1 View
  • 17 682.89 cm-1 View
  • 18 691.67 cm-1 View
  • 19 750.87 cm-1 View
  • 20 815.47 cm-1 View
  • 21 908.39 cm-1 View
  • 22 928.30 cm-1 View
  • 23 941.93 cm-1 View
  • 24 967.92 cm-1 View
  • 25 997.84 cm-1 View
  • 26 1025.98 cm-1 View
  • 27 1046.04 cm-1 View
  • 28 1081.53 cm-1 View
  • 29 1096.08 cm-1 View
  • 30 1118.12 cm-1 View
  • 31 1145.25 cm-1 View
  • 32 1148.38 cm-1 View
  • 33 1184.29 cm-1 View
  • 34 1210.07 cm-1 View
  • 35 1227.15 cm-1 View
  • 36 1245.80 cm-1 View
  • 37 1283.21 cm-1 View
  • 38 1309.98 cm-1 View
  • 39 1350.55 cm-1 View
  • 40 1367.32 cm-1 View
  • 41 1383.20 cm-1 View
  • 42 1388.51 cm-1 View
  • 43 1400.33 cm-1 View
  • 44 1403.09 cm-1 View
  • 45 1422.13 cm-1 View
  • 46 1626.76 cm-1 View
  • 47 1662.72 cm-1 View
  • 48 2810.70 cm-1 View
  • 49 2839.60 cm-1 View
  • 50 2904.65 cm-1 View
  • 51 2974.11 cm-1 View
  • 52 3000.34 cm-1 View
  • 53 3050.72 cm-1 View
  • 54 3066.34 cm-1 View
  • 55 3109.62 cm-1 View
  • 56 3188.74 cm-1 View
  • 57 3386.47 cm-1 View
  • 58 3516.72 cm-1 View
  • 59 3806.37 cm-1 View
  • 60 3898.25 cm-1 View