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	hartrees
Energy at 0K	-2651.437563
Energy at 298.15K	-2651.445885
HF Energy	-2651.033642
Nuclear repulsion energy	164.135525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3012	17.32
2	A'	3137	2981	11.74
3	A'	3081	2928	16.81
4	A'	1538	1462	3.94
5	A'	1524	1448	1.97
6	A'	1451	1379	8.85
7	A'	1332	1266	52.43
8	A'	1110	1055	0.29
9	A'	1004	954	13.34
10	A'	603	573	11.46
11	A'	298	283	1.52
12	A"	3211	3052	13.03
13	A"	3186	3027	4.15
14	A"	1527	1451	11.58
15	A"	1301	1236	1.04
16	A"	1077	1024	0.58
17	A"	792	753	5.21
18	A"	284	270	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.575	-2.025	0.000
C2	0.601	-1.068	0.000
Br3	0.000	0.792	0.000
H4	1.220	-1.179	0.889
H5	1.220	-1.179	-0.889
H6	-0.205	-3.055	0.000
H7	-1.196	-1.881	0.885
H8	-1.196	-1.881	-0.885

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5161	2.8754	2.1747	2.1747	1.0947	1.0910	1.0910
C2	1.5161		1.9553	1.0892	1.0892	2.1442	2.1619	2.1619
Br3	2.8754	1.9553		2.4831	2.4831	3.8530	3.0592	3.0592
H4	2.1747	1.0892	2.4831		1.7787	2.5184	2.5162	3.0790
H5	2.1747	1.0892	2.4831	1.7787		2.5184	3.0790	2.5162
H6	1.0947	2.1442	3.8530	2.5184	2.5184		1.7737	1.7737
H7	1.0910	2.1619	3.0592	2.5162	3.0790	1.7737		1.7704
H8	1.0910	2.1619	3.0592	3.0790	2.5162	1.7737	1.7704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.217	C1	C2	H4	112.135
C1	C2	H5	112.135	C2	C1	H6	109.365
C2	C1	H7	110.990	C2	C1	H8	110.990
Br3	C2	H4	105.748	Br3	C2	H5	105.748
H4	C2	H5	109.476	H6	C1	H7	108.483
H6	C1	H8	108.483	H7	C1	H8	108.457

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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