Table 10. A mnl (m=0, n=0, l=0) coefficients of the kinetic energy parameters (in cm -1) a .
A 000(B aa) | A 000(B bb) | A 000(B cc) | A 000(B ab) | A 000(B ac) | A 000(B bc) | |
---|---|---|---|---|---|---|
CH 3CO | 9.8515 | - | - | - | - | - |
CH 2CHO | 11.9647 | 35.8187 | - | - | 0.000 | |
CH 3COCH 2 | 5.7225 | 9.9603 | 34.3821 | -0.1792 | 0.000 | 0.000 |
a) a=CH 3 torsion; b= CH 2 torsion; c=CH 2 wagging