Organic Chem Worksheet

[Nicole Arnaout 1F]

On the 3D imaging software, when you type in a molecule (such as benzene) and then you hit "structure" then I believe it is "display" or "view" and then "all bond lengths" a number comes up in the "actual value", and then one in the "optimal value." If you hit MM2, then the actual value turns into the optimal value. Now, if you create the structure, then hit MM2, then pull up the table, you get a third different value in the "actual" column, but if you hit the MM2 button again with the table already up, the 'actual' again reverts to the 'optimal.' Because we are getting 3 different values depending on when we hit MM2, I am wondering if anyone could give some clarification on the process we should use. The workbook says to right down the 'actual' value, but even then we are getting 2 different values depending on when we hit MM2. One of the TA's said he thinks we should use the optimal value since that has the minimal energy value, but I want to make sure this is what we should do. Please let me know if anyone has an answer!

[Chem_Mod]

As stated on page 1 of the worksheet: Record all answers to 3 decimal places and use your actual (calculated/measured) values.

On page 3 it states: Answers +/- 0.05 A

Yes there will be differences in the 3rd, 4th, 5th decimal place due to the way the 'stable' state is calculated.