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	hartrees
Energy at 0K	-2651.513678
Energy at 298.15K
HF Energy	-2651.040988
Nuclear repulsion energy	163.704744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3137	29.73
2	A'	3121	3121	5.71
3	A'	3060	3060	19.86
4	A'	1520	1520	1.70
5	A'	1509	1509	0.87
6	A'	1443	1443	3.26
7	A'	1325	1325	58.18
8	A'	1103	1103	0.04
9	A'	1000	1000	9.34
10	A'	594	594	12.42
11	A'	295	295	1.34
12	A"	3187	3187	15.00
13	A"	3151	3151	8.59
14	A"	1509	1509	7.19
15	A"	1291	1291	0.61
16	A"	1065	1065	0.59
17	A"	787	787	2.97
18	A"	278	278	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.576	-2.033	0.000
C2	0.601	-1.069	0.000
Br3	0.000	0.795	0.000
H4	1.222	-1.185	0.890
H5	1.222	-1.185	-0.890
H6	-0.200	-3.064	0.000
H7	-1.199	-1.889	0.887
H8	-1.199	-1.889	-0.887

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5218	2.8863	2.1778	2.1778	1.0972	1.0939	1.0939
C2	1.5218		1.9584	1.0907	1.0907	2.1507	2.1685	2.1685
Br3	2.8863	1.9584		2.4907	2.4907	3.8646	3.0709	3.0709
H4	2.1778	1.0907	2.4907		1.7791	2.5195	2.5214	3.0846
H5	2.1778	1.0907	2.4907	1.7791		2.5195	3.0846	2.5214
H6	1.0972	2.1507	3.8646	2.5195	2.5195		1.7790	1.7790
H7	1.0939	2.1685	3.0709	2.5214	3.0846	1.7790		1.7748
H8	1.0939	2.1685	3.0709	3.0846	2.5214	1.7790	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.442	C1	C2	H4	111.882
C1	C2	H5	111.882	C2	C1	H6	109.330
C2	C1	H7	110.937	C2	C1	H8	110.937
Br3	C2	H4	106.009	Br3	C2	H5	106.009
H4	C2	H5	109.286	H6	C1	H7	108.570
H6	C1	H8	108.570	H7	C1	H8	108.432

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

using model chemistry: CCSD/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: CCSD/6-311G**

States and conformations

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