Re: IR spectrum: Error: Unable to load data successfully from this line:

dummy@example.com (sobereva) — Tue, 20 Sep 2022 11:02:36 +0000

Dear Nancy,

Multiwfn 3.7 is already quite old. Please try latest version of Multiwfn, if it still doesn't work, please send the file to my E-mail, I will check.

Best,

Tian

IR spectrum: Error: Unable to load data successfully from this line:

dummy@example.com (NancyAMills) — Tue, 20 Sep 2022 01:28:21 +0000

Dear Developers,

I am using Multiwfn to plot simulated IR spectra calculated with Gaussian, and got the following error in both versions of 3.7 and 3.8 dev:

Error: Unable to load data successfully from this line:

11
 Select type of the spectrum to plot
 1:IR  2:Raman (or pre-resonance Raman)  3:UV-Vis  4:ECD  5:VCD  6:ROA  7:NMR
 -3: Directional UV-Vis
1
 Recognized as a Gaussian output file
 Error: Unable to load data successfully from this line:
  IR Inten    --  5069.4715               233.7645               150.5274
 Press ENTER button to exit

It is totally fine for all other smaller sizes of molecules. The error happened for the system with 450 atoms.

Could you please give me some suggestions?

Kind regards,

Nancy