Creating and running a simple DFT calculation in GaussView / Gaussian

A demonstration of how one can use GaussView 5 and Gaussian 09 to perform a density functional theory geometry optimization and harmonic frequency calculation

[@Ottmar555]

Which type of calculation would be best suited to find the dipole moment of a molecule?

[@shahrazaullah7053]

Please help me how to calculate equilibrium constant and diffusion constant using Gaussian or any other code. Thank you

[@MRF77]

12:54 can you plz make another video to explain the log file?

[@Melicocina]

Hello, How could I create a file that includes multiple optimizations for running as a Unix command??? Thanks

[@foysalkabirtareq7190]

Dear Gregory Beran,
Your video is very helpful. But I want to know about H adsorption energy on a metal surface. For example the hydrogen adsorption energy Pt surface. How can I calculate?

[@pengwang7210]

Maybe VASP is more suitable for your calculation.

[@ranjnachoudhary]

you can use classic languir models and Mars van krevelene method

[@amiraelabd5048]

could you please inform me how can I draw Uranyl ion (UO22+)

[@sandeepjoshi1478]

Sir how to calculate the DFT ?? Please describe the geometry optimization

[@ihorfesina1622]

Where can I download this programm
?

[@shubhangiathawale8044]

Nice explanation sir but
When I calculated DFT there is error in submit option..what should I do for this?

[@sadianadir8537]

Same is the problem i am facing dear... Excellent video.. bt i can't submit the job..

[@ranjnachoudhary]

if the structure is not right it can happened usually

[@shubhangiathawale8044]

@@ranjnachoudhary mam but same structure for other system all the calculations are running,
So I don't think there is any structure problem

[@ranjnachoudhary]

@@shubhangiathawale8044 then in your error window also show the problem like basis set or etc. pls read the window carefully.

[@shubhangiathawale8044]

@@ranjnachoudhary😊yeah

[@sadianadir8537]

Calculations well explained sir.... Bt there is an issue wd my gaussian software... When i try to submit the job, i couldn't.. because my submit button is kind of blurred... It doesn't gives any response when i click it.. I don't know how to come out of this problem....

[@think7230]

Same problem here my submit button is freezed. I couldn't able to submit.

[@sadianadir8537]

Actually I've sort my problem out...there wz my mistake.. i'ad only installed gaussview software and not gaussian...once I installed gaussian too...my submit button became visible..

[@junior101ss]

Where did you buy the software? want to purchase my