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

Compare vibrational frequencies for two calculations for N₂O₅ (Dinitrogen pentoxide)

	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'	1773	1782	-9.0	0.995	14.556	14.601	-0.044	0.997	739.54	149.60	589.94	4.943
2	A'	A'	1457	1305	152.9	1.117	15.091	15.239	-0.148	0.990	80.76	55.23	25.52	1.462
3	A'	A'	1349	1208	141.0	1.117	15.450	15.497	-0.047	0.997	392.85	321.97	70.88	1.220
4	A'	A'	965	818	147.5	1.180	15.199	15.163	0.036	1.002	61.52	101.00	-39.48	0.609
5	A'	A'	893	727	165.8	1.228	15.285	14.981	0.304	1.020	576.73	32.25	544.47	17.883
6	A'	A'	874	680	194.0	1.285	14.904	15.289	-0.384	0.975	32.20	222.20	-190.00	0.145
7	A'	A'	760	578	182.0	1.315	15.552	15.341	0.211	1.014	65.05	83.66	-18.61	0.778
8	A'	A'	633	502	131.0	1.261	15.326	15.491	-0.165	0.989	14.80	228.34	-213.54	0.065
9	B	B	1760	1836	-76.5	0.958	14.589	14.619	-0.031	0.998	891.66	131.46	760.21	6.783
10	B	B	1348	1202	146.4	1.122	15.459	15.605	-0.146	0.991	389.17	288.85	100.32	1.347
11	B	B	894	684	210.5	1.308	15.159	15.336	-0.177	0.988	648.86	215.75	433.11	3.007
12	B	B	776	663	112.6	1.170	14.673	14.490	0.184	1.013	86.24	26.22	60.02	3.289
13	B	B	752	491	261.8	1.534	15.548	15.691	-0.143	0.991	28.24	235.93	-207.69	0.120
14	B	B	516	212	304.8	2.440	15.604	15.336	0.268	1.017	15.51	520.20	-504.69	0.030
15	B	B	11i	31	-42.6	-0.364	15.974	15.945	0.028	1.002	0.87	14.58	-13.70	0.060
scaled by			0.8985	0.943