Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 391.99 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 401.91 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 77.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 111.06 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.27 | J mol-1 K-1 |
| Rotational | 108.19 | J mol-1 K-1 |
| Vibrational | 60.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 331.36 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -66.34 | kJ mol-1 |
Molecular Orbitals
- 1 -416.62 eV View
- 2 -301.24 eV View
- 3 -301.04 eV View
- 4 -300.99 eV View
- 5 -300.27 eV View
- 6 -31.33 eV View
- 7 -26.34 eV View
- 8 -24.57 eV View
- 9 -22.68 eV View
- 10 -20.25 eV View
- 11 -16.43 eV View
- 12 -16.26 eV View
- 13 -15.50 eV View
- 14 -14.74 eV View
- 15 -13.92 eV View
- 16 -13.58 eV View
- 17 -13.18 eV View
- 18 -12.63 eV View
- 19 -11.69 eV View
- 20 -11.64 eV View
- 21 -7.58 eV View
- 22 15.21 eV View
- 23 16.03 eV View
- 24 16.76 eV View
- 25 17.78 eV View
- 26 18.35 eV View
- 27 18.78 eV View
- 28 18.81 eV View
- 29 19.30 eV View
- 30 19.93 eV View
- 31 20.21 eV View
- 32 20.42 eV View
- 33 20.97 eV View
- 34 21.12 eV View
- 35 22.10 eV View
- 36 23.00 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 120.49 cm-1 View
- 2 166.85 cm-1 View
- 3 190.38 cm-1 View
- 4 232.60 cm-1 View
- 5 342.56 cm-1 View
- 6 401.44 cm-1 View
- 7 439.69 cm-1 View
- 8 503.36 cm-1 View
- 9 837.85 cm-1 View
- 10 868.68 cm-1 View
- 11 954.50 cm-1 View
- 12 975.28 cm-1 View
- 13 992.14 cm-1 View
- 14 1012.92 cm-1 View
- 15 1036.20 cm-1 View
- 16 1115.43 cm-1 View
- 17 1122.97 cm-1 View
- 18 1145.60 cm-1 View
- 19 1197.14 cm-1 View
- 20 1217.13 cm-1 View
- 21 1325.55 cm-1 View
- 22 1370.16 cm-1 View
- 23 1373.98 cm-1 View
- 24 1375.69 cm-1 View
- 25 1380.16 cm-1 View
- 26 1385.48 cm-1 View
- 27 1393.86 cm-1 View
- 28 1394.88 cm-1 View
- 29 1412.40 cm-1 View
- 30 1413.45 cm-1 View
- 31 1436.31 cm-1 View
- 32 2911.49 cm-1 View
- 33 2990.27 cm-1 View
- 34 3016.62 cm-1 View
- 35 3031.05 cm-1 View
- 36 3041.14 cm-1 View
- 37 3051.34 cm-1 View
- 38 3060.45 cm-1 View
- 39 3088.14 cm-1 View
- 40 3117.94 cm-1 View
- 41 3132.87 cm-1 View
- 42 3171.13 cm-1 View