Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calculated Frequencies for CH₃CH₂CH₂Br (n-propyl bromide) ¹A^' C_s

MP2=FULL/6-31G* ¹A^' CS

Mode Number	Symmetry	Frequency (cm-1)	Scaled Frequency (cm-1)	IR Intensity (km/mol)	reduced mass (u)	description	Raman Act (Å4/u)	Dep P	Dep U
1	A'	3200	3015	19.985	1.1028
2	A'	3158	2975	13.749	1.0574
3	A'	3124	2944	7.908	1.0611
4	A'	3106	2927	17.946	1.036
5	A'	1571	1480	6.180	1.082
6	A'	1557	1467	1.400	1.057
7	A'	1545	1456	1.889	1.104
8	A'	1472	1387	2.632	1.2459
9	A'	1414	1333	6.959	1.4754
10	A'	1295	1220	38.511	1.2285
11	A'	1156	1090	1.862	2.0426
12	A'	1086	1024	1.553	2.6481
13	A'	938	884	8.604	1.822
14	A'	684	644	19.566	4.0893
15	A'	320	301	1.522	3.9916
16	A'	222	209	1.485	3.2811
17	A"	3232	3045	8.829	1.1117
18	A"	3197	3013	27.133	1.1044
19	A"	3173	2990	0.734	1.1055
20	A"	1564	1474	8.748	1.0412
21	A"	1362	1283	0.008	1.1065
22	A"	1289	1215	0.388	1.4249
23	A"	1096	1033	2.209	1.1382
24	A"	883	832	0.018	1.1782
25	A"	766	722	4.144	1.0799
26	A"	250	235	0.031	1.086
27	A"	121	114	0.853	2.4565

Unscaled Zero Point Vibrational Energy (zpe) 21391 cm^-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 20155 cm^-1

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.

List of Irreducible Representations for C_s