CCL:G: About phosphorus-carbon double bond vibrational-frequency(ies)
- From: "Daniel Salazar"
<danielmoralessalazar91(a)gmail.com>
- Subject: CCL:G: About phosphorus-carbon double bond
vibrational-frequency(ies)
- Date: Sat, 7 May 2016 15:03:23 -0400
Sent to CCL by: "Daniel Salazar" [danielmoralessalazar91]=[gmail.com]
Hello,
I am using B3LYP on Gaussian 09. I used it to obtain the vibrational
frequencies of a molecule (C39H41PS2) containing one phosphorus carbon
double bond by using the keyword "freq". I used Molden to visualize
the
calculated IR Spectrum. Since there are a lot of frequencies and the
phosphorus carbon double bond may have a low intensity, I am having a hard
time finding its frequency on the "Molden Frequency Select" panel. I
wonder
if there is any way to obtain this information in other ways, such as from
the text output file, and if there is, how can I do it? Thank you very
much.
Sincerely,
Daniel Morales Salazar