 Hello, this is Professor Steven Ashben. I'm here to show you how to get a Born-Oppenheimer energy profile for a diatomic Molecule and what I'm going to do here is I've started off in the inorganic menu and chosen hydrogen So that's what we're going to start with and for starters What you want to do is get a sense of how far apart your reference point is and that's about 0.724 and so we'll want to start a little bit tighter than that and go out a little bit farther than that So the next step is to go to this this icon here, which is constrained distance You can also get that from that pop-down menu, but I set up an icon once you are in constrained distance you need to once again Select the atoms that you want to do something with and then I'm going to click on this I want to I want a profile so for starters I'm going to start off with something smaller than that and you know It looks like point three might be a good value for h2 and maybe I want to go all the way out to 10 There and the number of steps. Well, I could just let's get a hundred steps and And at this point we would say I just want to do not an equilibrium geometry But an energy profile everything else seems good. I'm going to go ahead and submit that and and that's I'm just gonna say that is something now while it's running you can monitor the progress with this little monitor icon, which is Tells you how far along it's got in this case. It's only on step one and You know, it might take five or ten minutes perhaps on your on your computer However, I've already got the the answer on this from a Precalculated it and so I'm gonna go to this and Let's see The There's that there's there's this what will what will show up for you is this icon here And you can just play that and it will tell you what what range it's it's gone over and and what's interesting to do for example is to say I want to look at the homo and And you'll have to choose that every step of the way that you want to look at it, which I've done here and So that does that and so that's kind of interesting The other thing that you'll want to do is go to this calculations page The spreadsheet page and go to add and what you want is energy You know, I've chosen kilojoules per mole So you choose that and now that fills that in and then you go to this graphics icon and say well I want to see what that looks like. So I'm gonna select that and create it and in this case, this is the graph that it's created for me and and You can see that as a function of that distance The boron oppenheimer potential at a great distance doesn't change very much then it comes and reaches a minimum and Then goes back up probably due to the nuclear nuclear positive positive repulsion this of course you can you can you can save you can print you can take a screen capture and And what one thing that you will want to do when you start this off though is if you remember this Write down where you started it off, which in my case was about I think 0.3 angstroms And then I think I went out to 10 and that would have been the equilibrium value about 0.74