marcelo-mason / cccbdb-calculation-parser Goto Github PK

Hi, I can run the examples successful with geom and dipole. What I need to get are frequencies. I've tried: python cccbdb.py vibs CH4 shallow. It works and shows {'level': 'B3LYP', 'basis': 'CEP-31G', 'bond': 'freq'}. The data I need are those inside the links and I need to use deep. However when I use "python cccbdb.py vibs CH4 deep", the results are:
**** Posting formula
**** Fetching data
**** Extracting data
**** Fetching deep data
**** Failed, retrying...
**** Failed, retrying...
**** Failed, retrying...
**** Failed, retrying...
**** Failed, retrying...
**** Failed, retrying...
**** Failed, retrying...
**** Failed, retrying...
Please help me with this problem. Thanks !

Trying the first (CH4) example, I get a page with no table. Looking deeper, I see that the getformx response header was

{'content-length': '0', 'location': 'https://cccbdb.nist.gov/getformx.asp', 'cache-control': 'no-cache', 'connection': 'close'}

which is not what I get when I use the form in my browser. (Why is content length 0?)

Warning, I'm using requests 2.27.1 and beautifulsoup4 4.11.1, I know I was supposed to use older versions but I didn't make the effort. If that's the issue let me know and I'll downgrade.