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	hartrees
Energy at 0K	-2648.902622
Energy at 298.15K
HF Energy	-2648.539032
Nuclear repulsion energy	163.905542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	2978	25.03
2	A'	3212	2966	2.89
3	A'	3143	2904	17.14
4	A'	1580	1460	2.60
5	A'	1573	1453	1.27
6	A'	1500	1386	5.41
7	A'	1359	1255	60.08
8	A'	1138	1051	0.38
9	A'	1028	950	11.56
10	A'	600	554	16.72
11	A'	303	280	2.02
12	A"	3282	3032	9.19
13	A"	3242	2994	8.13
14	A"	1569	1450	8.39
15	A"	1333	1231	0.43
16	A"	1092	1009	0.15
17	A"	806	745	3.75
18	A"	274	253	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.575	-2.027	0.000
C2	0.602	-1.075	0.000
Br3	0.000	0.794	0.000
H4	1.220	-1.180	0.886
H5	1.220	-1.180	-0.886
H6	-0.210	-3.057	0.000
H7	-1.195	-1.880	0.883
H8	-1.195	-1.880	-0.883

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5147	2.8795	2.1742	2.1742	1.0927	1.0892	1.0892
C2	1.5147		1.9632	1.0856	1.0856	2.1425	2.1585	2.1585
Br3	2.8795	1.9632		2.4842	2.4842	3.8569	3.0593	3.0593
H4	2.1742	1.0856	2.4842		1.7724	2.5208	2.5147	3.0750
H5	2.1742	1.0856	2.4842	1.7724		2.5208	3.0750	2.5147
H6	1.0927	2.1425	3.8569	2.5208	2.5208		1.7710	1.7710
H7	1.0892	2.1585	3.0593	2.5147	3.0750	1.7710		1.7669
H8	1.0892	2.1585	3.0593	3.0750	2.5147	1.7710	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.120	C1	C2	H4	112.425
C1	C2	H5	112.425	C2	C1	H6	109.449
C2	C1	H7	110.930	C2	C1	H8	110.930
Br3	C2	H4	105.491	Br3	C2	H5	105.491
H4	C2	H5	109.440	H6	C1	H7	108.527
H6	C1	H8	108.527	H7	C1	H8	108.409

All results from a given calculation for C₂H₅Br (Ethyl bromide)

using model chemistry: CID/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H5Br (Ethyl bromide)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for C₂H₅Br (Ethyl bromide)