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	hartrees
Energy at 0K	-2648.613554
Energy at 298.15K
HF Energy	-2648.379064
Nuclear repulsion energy	161.036245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	2997	32.25
2	A'	3141	2985	1.50
3	A'	3067	2914	18.26
4	A'	1570	1492	4.25
5	A'	1553	1476	2.58
6	A'	1499	1424	5.46
7	A'	1350	1282	54.61
8	A'	1116	1061	0.47
9	A'	1023	972	12.65
10	A'	556	528	12.82
11	A'	290	276	2.01
12	A"	3222	3062	14.17
13	A"	3169	3011	12.26
14	A"	1562	1484	8.10
15	A"	1330	1264	0.72
16	A"	1072	1019	0.05
17	A"	800	760	5.16
18	A"	273	260	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.586	-2.054	0.000
C2	0.617	-1.112	0.000
Br3	0.000	0.809	0.000
H4	1.233	-1.215	0.896
H5	1.233	-1.215	-0.896
H6	-0.238	-3.098	0.000
H7	-1.209	-1.895	0.889
H8	-1.209	-1.895	-0.889

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5276	2.9225	2.1942	2.1942	1.0999	1.0968	1.0968
C2	1.5276		2.0176	1.0922	1.0922	2.1620	2.1761	2.1761
Br3	2.9225	2.0176		2.5338	2.5338	3.9140	3.0925	3.0925
H4	2.1942	1.0922	2.5338		1.7913	2.5517	2.5349	3.0998
H5	2.1942	1.0922	2.5338	1.7913		2.5517	3.0998	2.5349
H6	1.0999	2.1620	3.9140	2.5517	2.5517		1.7826	1.7826
H7	1.0968	2.1761	3.0925	2.5349	3.0998	1.7826		1.7771
H8	1.0968	2.1761	3.0925	3.0998	2.5349	1.7826	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.281	C1	C2	H4	112.707
C1	C2	H5	112.707	C2	C1	H6	109.659
C2	C1	H7	110.963	C2	C1	H8	110.963
Br3	C2	H4	105.217	Br3	C2	H5	105.217
H4	C2	H5	110.182	H6	C1	H7	108.479
H6	C1	H8	108.479	H7	C1	H8	108.221

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

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