ViewMol3D

IR-vectors displaying

ViewMol3D can display IR vectors from GAMESS/PC-GAMESS and GAUSSIAN 9x OUT-files.

The view of IR-vectors can be carried out by pressing the key '9'.

The switching between frequencies is made through keys 'q' and 'w'.

Some examples of viewing IR-vectors:

IR vectors of N(CH3)3 molecule IR vectors of TS
IR vectors of N(CH3)3 molecule.
Frequency 1249.45 cm-1
Intensity 15.94350 KM/mole
Calculated by Gaussian98W at level MP2/6-31G*
IR vectors of transition state of reaction of carbonyl oxide with NH2CH3.
Frequency 571.61 I
Intensity 12.13425 DEBYE2/AMU-ANGSTROM2
Calculated by PC GAMESS at level MP2/6-31G*

 

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