Determine the center of mass coordinates for formaldyde


Assignment:

1. Determine the center of mass coordinates for formaldyde, H2C=0. Start with a planar structure with C as the origin. The HCH angle is 120 degrees. The C-0 bond length 1.2 A, the C-H bond length is 1.0 A.

2. Calculate the rotational constants: A, B and C in MHz. Use A (MHz) = 505379 MHz amu A2/ la (amu A2).

3. Determine three transitions from the energy level handout and compare to the IPL database. Determine the percent error of the three transitions.

4. The NIST bond length webpage (https://cccbdb.nist.gov/expbondlengths2.asp?descript=rHC&all=0) gives the average C-H length as 1.068 A and a minimum C=0 bond length as 1.11 A. How does that affect the highest frequency transition from problem 3?

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Physics: Determine the center of mass coordinates for formaldyde
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