I’ve found the following error regarding the opening of .fchk files in GaussView5.0.
CConnectionGFCHK::Parse_GFCHK() Missing or bad data: Alpha Orbital Energies Line Number 1234
The error is prevented to a first approximation (i.e. it at least will allow GV to open and visualize the file but other issues may arise) by opening the file and modifying the number of basis functions to equal the number of independent functions (which is lower)
FILE HEADER FOpt RM062X 6-311++G(d,p) Number of atoms I 75 Info1-9 I N= 9 163 163 0 0 0 110 2 18 -502 Charge I 0 Multiplicity I 1 Number of electrons I 314 Number of alpha electrons I 157 Number of beta electrons I 157 Number of basis functions I 1199 Number of independent functions I 1199 Number of point charges in /Mol/ I 0 Number of translation vectors I 0 Atomic numbers I N= 75 ... ... ... ...
Once both numbers match you can open the file normally and work with it. My guess is this will continue to happen with highly polarized basis sets but I need to run some tests.
Dr. Joaquin Barroso's Blog 
CConnectionGFCHK::Parse_GFCHK()
Missing or bad data: Rbond
Line Number 1234
error is coming some times . so any way to get out of it ? please help.
There is a recent post in this blog about how to fix a fchk file that won’t open in GaussView. You have to edit it and change ‘independent’ for ‘independant’. Something like that. Look out for the post within this same blog.
I hope this helps!
will you please redirect me to that blog because i could not find where it is located.
Thank you in advance
https://joaquinbarroso.com/2014/05/19/some-fchk-files-wont-open-in-gaussview5-0-update/
there
I was having this error with “Missing or bad data: Rbond”, too, on some optimization runs. Here, the independent/indepedant change to the .fchk file (or the use of GV 5.0.9) had *no impact whatsoever*. In some cases, I could copy the Rbond information from one fchk file (for a .chk that opened normally) to another (that didn’t) and it would fix the problem – but that was of no help on the molecules whose optimizations always generated this error!
In the end, I solved this problem by editing the .com file. Specifically, GaussView was generating a zero-bond order for a bond that didn’t actually exist (the atoms were close in space, which I guess was the source of the problem, though the atoms being close-in-space is specifically why the system was interesting to me!). Removing that false-bond information fixed the problem.
For example, in the .com file, I changed the line
2 9 0.0
(indicating a bond order of 0 on the bond between atoms 2 and 9)
to
2
(indicating no bond between 2 and 9)
Voila! The resultant .chk files now open normally!
Thanks for sharing!
how i can open chk file to make the change ,it wasn’t open
You cannot open a chk file. You first need to format it into an fchk file, then you can edit that one with any text editor of your choice.
Use the formchk utility from Gaussian to do so.
I hope this helps!
CConnectionGFCHK::Parse_GFCHK()
Missing or bad data: Rbond
Line Number 1234
error is coming some times . so any way to get out of it ?
Any recommendation is highly appreciated
You have to edit the fchk file. This same post has the detailed instructions to do so. Please read above to find a solution.
Have a nice day
CConnectionGFCHK::ReadFile()
Cannot Find file
error occurs when opening spin broken symmetry .chk file in gauss view5.
please suggest the solution.
Have it formatted into an fchk file and try editing as per the information above. Let me know if it worked
Dear Sir,
I have already checked .fchk file. I have copied .chk to .fchk and view in gauss view5 it shows an error “No data observed”.
It’s not enough to copy it. You have to format it from the terminal like this:
formchk -3 file.chk file.fchk
Then you can edit the latter
yes sir now I am able to open it via gauss view 5. Thanks a lot sir. You have solve my urgent problem. I am a grateful to you.
Great!
Can you help me ? I will be a grateful to you.My question is
CConnectionGFCHK::Parse-GFCHK()
Missing or bad data:Dipole Moment
Line Number 11934
Please read the instructions in this very same post to get a solution to your problem.
Have a nice day
Dear Sir,
I need your help. I could not able to open fchk file in GV06
CConnectionGFCHK::Parse-GFCHK()
Missing or bad data: IBond
Line Number 7
Hussain
Dear sir：
the problem:
CConnectionGFCHK::Parse-GFCHK()
Missing or bad data:Dipole Moment
Line Number 11934
cannot be solved by using the instructions in the very same post. Changing ‘independent’ for ‘independant’ can be useless for this error.
I am a beginner in DFT calculations, I need to perform DFT calculations for organic compounds (C,H,N,O,S,Cl,F,Br) no more then 50 atoms. But I don`t know what basis set to put, and more important what it should be considered in selecting of basis set.
Also I need to know for procedure of DFT calculation, what to use for drawing molecule, how to optimize (with what forcefield) and how many optimization to perfrom.
Dear sir,
I am facing the problem while opening .chk or .fchk file in GaussView 6.0.16.
SCUtil_ConnectionGFCHK::Parse_GFCHK()
Missing or bad data: MM charges
Line Number: 96
Please suggest the solution.
Use the formchk utility and edit in a text editor the line #96 according to the instructions in this post.
I hope this helps
This was very helpuff!!!! Thank you!!!