Molecule Viewer
Molecular Orbitals
- 1 -1311.00 eV View
- 2 -550.68 eV View
- 3 -550.67 eV View
- 4 -550.62 eV View
- 5 -550.60 eV View
- 6 -550.32 eV View
- 7 -550.31 eV View
- 8 -92.68 eV View
- 9 -50.07 eV View
- 10 -50.07 eV View
- 11 -50.07 eV View
- 12 -34.83 eV View
- 13 -34.26 eV View
- 14 -34.14 eV View
- 15 -33.94 eV View
- 16 -33.81 eV View
- 17 -33.78 eV View
- 18 -17.10 eV View
- 19 -16.75 eV View
- 20 -16.44 eV View
- 21 -16.16 eV View
- 22 -16.12 eV View
- 23 -16.01 eV View
- 24 -14.91 eV View
- 25 -13.55 eV View
- 26 -12.89 eV View
- 27 -12.49 eV View
- 28 -12.30 eV View
- 29 -11.07 eV View
- 30 -10.75 eV View
- 31 -10.51 eV View
- 32 -10.29 eV View
- 33 -10.19 eV View
- 34 -10.11 eV View
- 35 -9.66 eV View
- 36 6.55 eV View
- 37 14.31 eV View
- 38 14.35 eV View
- 39 14.40 eV View
- 40 17.29 eV View
- 41 17.34 eV View
- 42 19.91 eV View
- 43 20.21 eV View
- 44 20.36 eV View
- 45 20.46 eV View
- 46 20.70 eV View
- 47 20.82 eV View
- 48 22.91 eV View
- 49 23.85 eV View
- 50 24.67 eV View
- 51 25.18 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 86.57 cm-1 View
- 2 103.62 cm-1 View
- 3 109.22 cm-1 View
- 4 119.80 cm-1 View
- 5 128.34 cm-1 View
- 6 143.62 cm-1 View
- 7 161.14 cm-1 View
- 8 165.75 cm-1 View
- 9 172.73 cm-1 View
- 10 174.90 cm-1 View
- 11 195.22 cm-1 View
- 12 196.53 cm-1 View
- 13 234.64 cm-1 View
- 14 257.28 cm-1 View
- 15 412.05 cm-1 View
- 16 667.90 cm-1 View
- 17 677.64 cm-1 View
- 18 679.79 cm-1 View
- 19 694.50 cm-1 View
- 20 700.24 cm-1 View
- 21 704.92 cm-1 View
- 22 755.56 cm-1 View
- 23 781.13 cm-1 View
- 24 836.72 cm-1 View
- 25 838.61 cm-1 View
- 26 843.35 cm-1 View
- 27 852.46 cm-1 View
- 28 865.78 cm-1 View
- 29 875.21 cm-1 View
- 30 897.74 cm-1 View
- 31 1112.91 cm-1 View
- 32 1125.51 cm-1 View
- 33 1184.14 cm-1 View
- 34 1746.37 cm-1 View
- 35 1746.95 cm-1 View
- 36 1754.31 cm-1 View
- 37 1757.59 cm-1 View
- 38 1767.40 cm-1 View
- 39 1767.88 cm-1 View
- 40 3650.72 cm-1 View
- 41 3656.85 cm-1 View
- 42 3659.75 cm-1 View
- 43 3660.73 cm-1 View
- 44 3662.76 cm-1 View
- 45 3664.74 cm-1 View
- 46 3753.14 cm-1 View
- 47 3771.32 cm-1 View
- 48 3774.30 cm-1 View
- 49 3781.42 cm-1 View
- 50 3798.61 cm-1 View
- 51 3810.52 cm-1 View
Calculation failed
11 -1.8008 -2.3598 13.0520 1.2000 78.390012 -1.0082 0.8312 13.4930 1.5000 78.3900
13 -0.7804 1.2837 14.3174 1.2000 78.3900
14 0.4565 -3.0449 12.5901 1.2000 78.3900
15 -2.2732 -1.1780 13.9696 1.2000 78.3900
16 -0.8800 1.4525 12.7623 1.2000 78.3900
17 0.2176 -0.2878 10.8858 1.2000 78.3900
18 2.0268 0.4820 13.8821 1.2000 78.3900
19 0.6459 -2.0793 15.2012 1.2000 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Thu Dec 10 14:40:56 2020