Molecule Viewer
Molecular Orbitals
- 1 -2817.46 eV View
- 2 -1316.70 eV View
- 3 -300.02 eV View
- 4 -300.01 eV View
- 5 -299.98 eV View
- 6 -299.92 eV View
- 7 -299.83 eV View
- 8 -298.56 eV View
- 9 -278.99 eV View
- 10 -209.36 eV View
- 11 -209.24 eV View
- 12 -209.24 eV View
- 13 -98.83 eV View
- 14 -56.37 eV View
- 15 -56.07 eV View
- 16 -56.06 eV View
- 17 -29.50 eV View
- 18 -26.25 eV View
- 19 -25.90 eV View
- 20 -25.57 eV View
- 21 -20.80 eV View
- 22 -20.26 eV View
- 23 -17.61 eV View
- 24 -15.53 eV View
- 25 -14.96 eV View
- 26 -14.40 eV View
- 27 -13.27 eV View
- 28 -12.31 eV View
- 29 -11.65 eV View
- 30 -10.98 eV View
- 31 -10.07 eV View
- 32 -10.03 eV View
- 33 -8.42 eV View
- 34 -7.59 eV View
- 35 -7.38 eV View
- 36 4.78 eV View
- 37 6.63 eV View
- 38 7.39 eV View
- 39 8.31 eV View
- 40 10.30 eV View
- 41 14.12 eV View
- 42 16.05 eV View
- 43 17.38 eV View
- 44 18.02 eV View
- 45 18.90 eV View
- 46 19.76 eV View
- 47 20.41 eV View
- 48 23.23 eV View
- 49 23.96 eV View
- 50 24.59 eV View
- 51 25.02 eV View
- 52 29.94 eV View
- 53 31.19 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 19.78 cm-1 View
- 2 39.92 cm-1 View
- 3 128.02 cm-1 View
- 4 260.33 cm-1 View
- 5 349.22 cm-1 View
- 6 406.60 cm-1 View
- 7 474.54 cm-1 View
- 8 634.03 cm-1 View
- 9 639.17 cm-1 View
- 10 711.05 cm-1 View
- 11 746.61 cm-1 View
- 12 842.15 cm-1 View
- 13 906.45 cm-1 View
- 14 924.73 cm-1 View
- 15 970.87 cm-1 View
- 16 1010.10 cm-1 View
- 17 1032.68 cm-1 View
- 18 1090.57 cm-1 View
- 19 1123.17 cm-1 View
- 20 1154.61 cm-1 View
- 21 1186.61 cm-1 View
- 22 1275.29 cm-1 View
- 23 1334.26 cm-1 View
- 24 1434.24 cm-1 View
- 25 1512.28 cm-1 View
- 26 1603.97 cm-1 View
- 27 1778.56 cm-1 View
- 28 1787.83 cm-1 View
- 29 2992.55 cm-1 View
- 30 3046.09 cm-1 View
- 31 3058.33 cm-1 View
- 32 3066.80 cm-1 View
- 33 3078.76 cm-1 View
Calculation failed
5 -1.9017 -0.3987 -2.3209 1.7000 78.39006 -2.8481 -0.8751 -2.5970 1.2000 78.3900
7 -0.9157 -0.1878 -3.2816 1.7000 78.3900
8 -1.1014 -0.5000 -4.3160 1.2000 78.3900
9 0.2873 0.4145 -2.9257 1.7000 78.3900
10 0.4997 0.8096 -1.6098 1.7000 78.3900
11 1.4333 1.3062 -1.2989 1.2000 78.3900
12 1.9457 0.8975 -3.6495 0.0000 78.3900
13 3.2623 2.2382 -3.8251 1.8100 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Tue Jul 28 16:01:10 2020