Table 7.

Contributions^a to harmonic intensities (km/mol) for glycine isomers: MIN and MAX stands for signed errors, largest positive (MAX) and largest negative (MIN), MAE stands for Mean Absolute Error.

	ΔI(QZ-TZ)	ΔI(CV)	ΔI(diff)	ΔI((T))
Ip/ttt
MIN	−16.77	−8.16	−29.10	−84.67
MAX	25.90	8.55	29.19	79.91
MAE	2.98	0.89	3.16	5.28
IIn/ccc
MIN	−12.78	−2.75	−21.85	−70.57
MAX	19.14	4.65	35.35	26.24
MAE	2.35	0.62	3.91	5.93
IVn/gtt
MIN	−30.08	−4.54	−42.06	−33.83
MAX	33.65	9.56	29.07	29.81
MAE	3.58	0.91	4.61	5.37
IIIp/tct
MIN	−15.57	−2.25	−27.22	−64.37
MAX	14.98	4.70	26.95	62.26
MAE	2.57	0.63	4.04	4.47
Vn/gct
MIN	−17.61	−8.34	−26.42	−20.11
MAX	16.53	11.51	29.22	21.27
MAE	2.70	0.85	3.87	4.07
VIp/ttc
MIN	−15.55	−8.30	−25.11	−27.32
MAX	19.95	8.07	23.67	18.81
MAE	2.94	0.83	3.80	3.95
All
MAE	2.85	0.79	3.90	4.85

^aContributions as defined in the text.