Molecule Viewer
Molecular Orbitals
- 1 -551.28 eV View
- 2 -551.20 eV View
- 3 -551.19 eV View
- 4 -550.64 eV View
- 5 -303.42 eV View
- 6 -302.20 eV View
- 7 -301.95 eV View
- 8 -301.60 eV View
- 9 -301.16 eV View
- 10 -301.14 eV View
- 11 -36.94 eV View
- 12 -35.49 eV View
- 13 -34.94 eV View
- 14 -34.31 eV View
- 15 -28.37 eV View
- 16 -26.90 eV View
- 17 -23.99 eV View
- 18 -22.37 eV View
- 19 -22.08 eV View
- 20 -18.81 eV View
- 21 -18.10 eV View
- 22 -17.34 eV View
- 23 -17.13 eV View
- 24 -16.68 eV View
- 25 -16.28 eV View
- 26 -15.66 eV View
- 27 -14.57 eV View
- 28 -14.38 eV View
- 29 -13.90 eV View
- 30 -13.69 eV View
- 31 -13.24 eV View
- 32 -12.74 eV View
- 33 -11.84 eV View
- 34 -11.26 eV View
- 35 -10.88 eV View
- 36 -10.24 eV View
- 37 -9.78 eV View
- 38 -9.66 eV View
- 39 -9.36 eV View
- 40 -8.41 eV View
- 41 13.67 eV View
- 42 14.38 eV View
- 43 15.09 eV View
- 44 15.26 eV View
- 45 15.80 eV View
- 46 16.43 eV View
- 47 17.18 eV View
- 48 17.31 eV View
- 49 18.04 eV View
- 50 18.24 eV View
- 51 18.61 eV View
- 52 19.02 eV View
- 53 19.13 eV View
- 54 19.43 eV View
- 55 19.88 eV View
- 56 20.52 eV View
- 57 20.89 eV View
- 58 20.97 eV View
- 59 21.51 eV View
- 60 21.84 eV View
- 61 22.12 eV View
- 62 23.51 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 70.60 cm-1 View
- 2 88.10 cm-1 View
- 3 165.09 cm-1 View
- 4 188.40 cm-1 View
- 5 198.58 cm-1 View
- 6 226.50 cm-1 View
- 7 228.26 cm-1 View
- 8 281.04 cm-1 View
- 9 362.54 cm-1 View
- 10 393.66 cm-1 View
- 11 408.32 cm-1 View
- 12 425.26 cm-1 View
- 13 445.08 cm-1 View
- 14 539.79 cm-1 View
- 15 583.62 cm-1 View
- 16 648.44 cm-1 View
- 17 767.92 cm-1 View
- 18 858.27 cm-1 View
- 19 908.98 cm-1 View
- 20 931.56 cm-1 View
- 21 954.39 cm-1 View
- 22 970.42 cm-1 View
- 23 1004.65 cm-1 View
- 24 1041.90 cm-1 View
- 25 1056.38 cm-1 View
- 26 1063.69 cm-1 View
- 27 1075.76 cm-1 View
- 28 1093.05 cm-1 View
- 29 1104.18 cm-1 View
- 30 1119.05 cm-1 View
- 31 1135.97 cm-1 View
- 32 1144.70 cm-1 View
- 33 1166.39 cm-1 View
- 34 1184.53 cm-1 View
- 35 1219.08 cm-1 View
- 36 1240.45 cm-1 View
- 37 1292.20 cm-1 View
- 38 1305.40 cm-1 View
- 39 1325.32 cm-1 View
- 40 1335.56 cm-1 View
- 41 1350.06 cm-1 View
- 42 1360.55 cm-1 View
- 43 1383.70 cm-1 View
- 44 1401.02 cm-1 View
- 45 1402.26 cm-1 View
- 46 1408.83 cm-1 View
- 47 1416.11 cm-1 View
- 48 1426.46 cm-1 View
- 49 2831.31 cm-1 View
- 50 2858.13 cm-1 View
- 51 2907.75 cm-1 View
- 52 2934.70 cm-1 View
- 53 2954.82 cm-1 View
- 54 2967.37 cm-1 View
- 55 3019.22 cm-1 View
- 56 3033.80 cm-1 View
- 57 3042.88 cm-1 View
- 58 3874.89 cm-1 View
- 59 3896.64 cm-1 View
- 60 3903.82 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -12.21 | kJ mol-1 |
| Polar Solvation Energy | -32.44 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.23 | kJ mol-1 |
| Surface Area | 123.29 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.57 | Debye |