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 | 691.03 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 700.95 | 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 | 169.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 202.50 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.21 | J mol-1 K-1 |
| Rotational | 127.59 | J mol-1 K-1 |
| Vibrational | 162.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 460.64 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1.88 | kJ mol-1 |
Molecular Orbitals
- 1 -300.66 eV View
- 2 -300.44 eV View
- 3 -300.40 eV View
- 4 -300.38 eV View
- 5 -300.29 eV View
- 6 -300.17 eV View
- 7 -300.14 eV View
- 8 -299.94 eV View
- 9 -299.75 eV View
- 10 -299.12 eV View
- 11 -29.32 eV View
- 12 -27.88 eV View
- 13 -26.98 eV View
- 14 -25.74 eV View
- 15 -24.04 eV View
- 16 -23.93 eV View
- 17 -22.46 eV View
- 18 -21.11 eV View
- 19 -19.43 eV View
- 20 -17.56 eV View
- 21 -16.52 eV View
- 22 -16.33 eV View
- 23 -15.22 eV View
- 24 -15.04 eV View
- 25 -14.79 eV View
- 26 -14.49 eV View
- 27 -14.30 eV View
- 28 -14.11 eV View
- 29 -13.90 eV View
- 30 -13.44 eV View
- 31 -13.02 eV View
- 32 -12.70 eV View
- 33 -12.51 eV View
- 34 -12.26 eV View
- 35 -11.50 eV View
- 36 -11.24 eV View
- 37 -10.93 eV View
- 38 -7.77 eV View
- 39 -7.49 eV View
- 40 8.78 eV View
- 41 9.01 eV View
- 42 15.20 eV View
- 43 15.77 eV View
- 44 17.17 eV View
- 45 17.44 eV View
- 46 17.67 eV View
- 47 17.76 eV View
- 48 18.17 eV View
- 49 18.33 eV View
- 50 18.74 eV View
- 51 19.00 eV View
- 52 19.23 eV View
- 53 19.59 eV View
- 54 19.60 eV View
- 55 19.95 eV View
- 56 20.04 eV View
- 57 20.29 eV View
- 58 20.66 eV View
- 59 21.29 eV View
- 60 21.51 eV View
- 61 21.89 eV View
- 62 22.00 eV View
- 63 22.68 eV View
- 64 23.35 eV View
- 65 23.50 eV View
- 66 24.48 eV View
- 67 24.72 eV View
- 68 36.85 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 44.92 cm-1 View
- 2 68.04 cm-1 View
- 3 113.39 cm-1 View
- 4 122.44 cm-1 View
- 5 140.68 cm-1 View
- 6 160.60 cm-1 View
- 7 177.59 cm-1 View
- 8 196.00 cm-1 View
- 9 235.63 cm-1 View
- 10 251.89 cm-1 View
- 11 256.77 cm-1 View
- 12 331.11 cm-1 View
- 13 375.67 cm-1 View
- 14 396.93 cm-1 View
- 15 471.11 cm-1 View
- 16 488.74 cm-1 View
- 17 549.32 cm-1 View
- 18 604.32 cm-1 View
- 19 652.29 cm-1 View
- 20 810.83 cm-1 View
- 21 833.80 cm-1 View
- 22 857.99 cm-1 View
- 23 900.56 cm-1 View
- 24 939.24 cm-1 View
- 25 967.19 cm-1 View
- 26 978.95 cm-1 View
- 27 1003.45 cm-1 View
- 28 1010.32 cm-1 View
- 29 1021.68 cm-1 View
- 30 1031.70 cm-1 View
- 31 1048.52 cm-1 View
- 32 1079.02 cm-1 View
- 33 1124.71 cm-1 View
- 34 1139.18 cm-1 View
- 35 1143.26 cm-1 View
- 36 1148.28 cm-1 View
- 37 1156.18 cm-1 View
- 38 1166.30 cm-1 View
- 39 1183.90 cm-1 View
- 40 1244.30 cm-1 View
- 41 1268.54 cm-1 View
- 42 1313.62 cm-1 View
- 43 1332.68 cm-1 View
- 44 1361.58 cm-1 View
- 45 1385.24 cm-1 View
- 46 1387.63 cm-1 View
- 47 1391.27 cm-1 View
- 48 1394.60 cm-1 View
- 49 1396.81 cm-1 View
- 50 1401.90 cm-1 View
- 51 1403.99 cm-1 View
- 52 1407.92 cm-1 View
- 53 1408.66 cm-1 View
- 54 1411.52 cm-1 View
- 55 1414.31 cm-1 View
- 56 1425.88 cm-1 View
- 57 1432.07 cm-1 View
- 58 1455.98 cm-1 View
- 59 1592.48 cm-1 View
- 60 2275.06 cm-1 View
- 61 2809.97 cm-1 View
- 62 2918.17 cm-1 View
- 63 2960.36 cm-1 View
- 64 3020.52 cm-1 View
- 65 3029.25 cm-1 View
- 66 3030.62 cm-1 View
- 67 3036.54 cm-1 View
- 68 3039.21 cm-1 View
- 69 3042.05 cm-1 View
- 70 3063.08 cm-1 View
- 71 3072.31 cm-1 View
- 72 3079.38 cm-1 View
- 73 3083.18 cm-1 View
- 74 3087.27 cm-1 View
- 75 3153.37 cm-1 View
- 76 3157.69 cm-1 View
- 77 3167.58 cm-1 View
- 78 3173.23 cm-1 View