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	hartrees
Energy at 0K	-2638.834414
Energy at 298.15K
HF Energy	-2638.484464
Nuclear repulsion energy	162.598237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3115	2979	23.11
2	A'	3100	2966	2.06
3	A'	3044	2912	14.08
4	A'	1581	1512	3.23
5	A'	1562	1494	3.29
6	A'	1486	1421	6.29
7	A'	1340	1282	42.91
8	A'	1099	1052	2.85
9	A'	972	930	8.17
10	A'	599	573	9.55
11	A'	294	281	1.67
12	A"	3165	3027	11.33
13	A"	3128	2992	6.32
14	A"	1571	1502	8.09
15	A"	1322	1265	0.50
16	A"	1083	1036	0.03
17	A"	804	769	5.08
18	A"	266	254	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.589	-2.039	0.000
C2	0.619	-1.081	0.000
Br3	0.000	0.798	0.000
H4	1.235	-1.198	0.896
H5	1.235	-1.198	-0.896
H6	-0.234	-3.080	0.000
H7	-1.207	-1.873	0.891
H8	-1.207	-1.873	-0.891

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5420	2.8973	2.1997	2.1997	1.1000	1.0966	1.0966
C2	1.5420		1.9780	1.0935	1.0935	2.1735	2.1804	2.1804
Br3	2.8973	1.9780		2.5121	2.5121	3.8849	3.0633	3.0633
H4	2.1997	1.0935	2.5121		1.7914	2.5502	2.5333	3.1001
H5	2.1997	1.0935	2.5121	1.7914		2.5502	3.1001	2.5333
H6	1.1000	2.1735	3.8849	2.5502	2.5502		1.7878	1.7878
H7	1.0966	2.1804	3.0633	2.5333	3.1001	1.7878		1.7825
H8	1.0966	2.1804	3.0633	3.1001	2.5333	1.7878	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.174	C1	C2	H4	112.031
C1	C2	H5	112.031	C2	C1	H6	109.566
C2	C1	H7	110.306	C2	C1	H8	110.306
Br3	C2	H4	106.138	Br3	C2	H5	106.138
H4	C2	H5	109.998	H6	C1	H7	108.954
H6	C1	H8	108.954	H7	C1	H8	108.723

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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