Table 5.

Contributions^a to harmonic frequencies (cm⁻¹) for glycine isomers: MIN and MAX stands for signed errors, largest positive (MAX) and largest negative (MIN), MAE stands for Mean Absolute Error.

	Δω(QZ-TZ)	Δω(CBS-QZ)	Δω(CV)	Δω(diff)	Δω((T)
Ip/ttt
MIN	−13.84	−6.56	−0.73	−22.49	−47.22
MAX	8.88	7.45	8.01	6.46	9.44
MAE	2.75	1.76	2.71	5.24	8.59
IIn/ccc
MIN	−10.69	−6.07	−0.93	−24.13	−46.32
MAX	6.91	10.64	7.69	2.07	60.35
MAE	3.69	3.20	2.71	7.26	11.52
IVn/gtt
MIN	−14.82	−8.34	−3.19	−21.67	−44.79
MAX	7.17	13.21	8.41	0.32	14.11
MAE	2.83	2.19	2.86	6.40	9.16
IIIp/tct
MIN	−16.62	−11.91	−1.19	−24.63	−48.08
MAX	9.77	14.18	8.13	2.73	11.64
MAE	3.19	2.78	2.75	6.56	9.49
Vn/gct
MIN	−11.35	−7.79	−1.88	−20.75	−46.01
MAX	7.74	11.35	8.30	2.40	9.70
MAE	2.66	2.02	2.76	5.92	9.10
VIp/ttc
MIN	−12.91	−8.20	−0.67	−24.93	−47.27
MAX	8.42	7.16	7.95	3.35	11.65
MAE	2.77	1.86	2.71	6.26	9.11
All
MAE	2.98	2.30	2.75	6.27	9.50

^aContributions as defined in the text.