III.G.7. (XIII.B.3.) (XIII.D.5.)

Compare vibrational frequencies for two calculations for CH₂CHO (Vinyloxy radical)

	symmetry		frequency (cm^-1)				reduced mass (amu)				IR Intensity (km mol^-1)
mode number	A	B	A	B	diff.	ratio	A	B	diff.	ratio	A	B	diff.	ratio
1	A'	A'	3101	3179	-78.7	0.975	1.121	1.122	-0.001	0.999	5.87	1.47	4.40	3.988
2	A'	A'	3004	3058	-53.9	0.982	1.054	1.051	0.003	1.003	4.89	2.09	2.80	2.342
3	A'	A'	2919	2817	102.4	1.036	1.086	1.089	-0.003	0.997	66.89	116.89	-50.00	0.572
4	A'	A'	1450	1828	-377.2	0.794	1.277	10.212	-8.935	0.125	10.39	308.50	-298.11	0.034
5	A'	A'	1400	1425	-24.2	0.983	1.259	1.218	0.041	1.033	6.86	13.95	-7.09	0.492
6	A'	A'	1272	1386	-114.2	0.918	4.091	1.144	2.947	3.575	15.01	7.21	7.80	2.082
7	A'	A'	1096	1095	1.8	1.002	3.096	2.473	0.622	1.252	16.12	57.88	-41.77	0.278
8	A'	A'	953	911	42.4	1.047	1.789	2.023	-0.234	0.884	3.00	9.79	-6.79	0.306
9	A'	A'	485	482	3.4	1.007	2.452	2.388	0.064	1.027	15.02	15.62	-0.60	0.962
10	A"	A"	915	1016	-100.9	0.901	1.496	1.669	-0.174	0.896	0.06	5.85	-5.79	0.011
11	A"	A"	709	635	74.0	1.116	1.259	1.244	0.016	1.013	47.17	46.15	1.02	1.022
12	A"	A"	477	350	127.2	1.363	1.212	1.151	0.061	1.053	0.84	1.14	-0.31	0.733
scaled by			0.8985	0.943