Molecule Viewer
Molecular Orbitals
- 1 -551.81 eV View
- 2 -551.35 eV View
- 3 -550.77 eV View
- 4 -303.82 eV View
- 5 -302.38 eV View
- 6 -301.97 eV View
- 7 -301.79 eV View
- 8 -301.00 eV View
- 9 -300.54 eV View
- 10 -37.32 eV View
- 11 -35.58 eV View
- 12 -34.45 eV View
- 13 -27.65 eV View
- 14 -25.99 eV View
- 15 -24.86 eV View
- 16 -22.85 eV View
- 17 -21.22 eV View
- 18 -19.03 eV View
- 19 -17.16 eV View
- 20 -16.63 eV View
- 21 -16.26 eV View
- 22 -16.10 eV View
- 23 -15.62 eV View
- 24 -15.12 eV View
- 25 -14.73 eV View
- 26 -14.60 eV View
- 27 -14.18 eV View
- 28 -13.62 eV View
- 29 -13.44 eV View
- 30 -12.30 eV View
- 31 -11.86 eV View
- 32 -10.89 eV View
- 33 -10.54 eV View
- 34 -9.19 eV View
- 35 -8.95 eV View
- 36 -8.67 eV View
- 37 8.58 eV View
- 38 13.70 eV View
- 39 14.69 eV View
- 40 16.39 eV View
- 41 17.29 eV View
- 42 17.60 eV View
- 43 17.89 eV View
- 44 18.54 eV View
- 45 18.65 eV View
- 46 18.95 eV View
- 47 19.05 eV View
- 48 19.13 eV View
- 49 19.29 eV View
- 50 19.62 eV View
- 51 19.99 eV View
- 52 20.23 eV View
- 53 20.39 eV View
- 54 21.00 eV View
- 55 21.99 eV View
- 56 22.28 eV View
- 57 27.81 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 41.43 cm-1 View
- 2 45.53 cm-1 View
- 3 61.27 cm-1 View
- 4 79.99 cm-1 View
- 5 94.36 cm-1 View
- 6 171.56 cm-1 View
- 7 189.33 cm-1 View
- 8 197.59 cm-1 View
- 9 230.86 cm-1 View
- 10 336.01 cm-1 View
- 11 349.56 cm-1 View
- 12 431.47 cm-1 View
- 13 500.78 cm-1 View
- 14 524.63 cm-1 View
- 15 567.44 cm-1 View
- 16 645.92 cm-1 View
- 17 877.87 cm-1 View
- 18 942.06 cm-1 View
- 19 946.19 cm-1 View
- 20 992.10 cm-1 View
- 21 1006.51 cm-1 View
- 22 1014.83 cm-1 View
- 23 1016.59 cm-1 View
- 24 1023.24 cm-1 View
- 25 1075.00 cm-1 View
- 26 1105.96 cm-1 View
- 27 1124.98 cm-1 View
- 28 1132.41 cm-1 View
- 29 1163.41 cm-1 View
- 30 1194.32 cm-1 View
- 31 1254.39 cm-1 View
- 32 1295.06 cm-1 View
- 33 1337.94 cm-1 View
- 34 1355.73 cm-1 View
- 35 1358.09 cm-1 View
- 36 1365.65 cm-1 View
- 37 1378.17 cm-1 View
- 38 1381.73 cm-1 View
- 39 1388.85 cm-1 View
- 40 1393.71 cm-1 View
- 41 1401.10 cm-1 View
- 42 1402.48 cm-1 View
- 43 1405.83 cm-1 View
- 44 1408.45 cm-1 View
- 45 1973.18 cm-1 View
- 46 2843.86 cm-1 View
- 47 2918.98 cm-1 View
- 48 2975.66 cm-1 View
- 49 3037.57 cm-1 View
- 50 3074.08 cm-1 View
- 51 3085.65 cm-1 View
- 52 3086.58 cm-1 View
- 53 3087.63 cm-1 View
- 54 3090.71 cm-1 View
- 55 3145.54 cm-1 View
- 56 3177.81 cm-1 View
- 57 3183.16 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.08 | kJ mol-1 |
| Polar Solvation Energy | -23.62 | kJ mol-1 |
| Nonpolar Solvation Energy | 23.66 | kJ mol-1 |
| Surface Area | 141.53 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.47 | Debye |