Alexandr
planfactor@mail.ru
VIBRATIONAL-ENTROPY DECOMPOSITION
---------------------------------
FREQUENCY ENTROPY %-CONTRIBUTION
------------------------------
30.48 5.798 7.71
40.34 5.242 6.97
45.90 4.987 6.63
53.18 4.695 6.25
62.97 4.362 5.80
76.49 3.979 5.29
124.90 3.023 4.02
[...]
3741.05 0.000 0.00
3763.86 0.000 0.00
3777.52 0.000 0.00
3779.85 0.000 0.00
I can take what information from this table for the characteristic of the calculated frequencies in IR spectrum?
For example, as it to understand that the frequencies concerning in fluctuations of OH groups, are characterised by sizes entropy smaller, than 10 **-3?
With regards,
Alexandr