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	hartrees
Energy at 0K	-2651.475462
Energy at 298.15K
HF Energy	-2651.033470
Nuclear repulsion energy	163.573368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	2978	29.05
2	A'	3107	2963	6.31
3	A'	3047	2906	20.25
4	A'	1529	1458	3.49
5	A'	1520	1449	1.58
6	A'	1452	1385	7.08
7	A'	1329	1268	54.44
8	A'	1106	1054	0.32
9	A'	1001	954	11.65
10	A'	590	563	12.94
11	A'	296	282	1.50
12	A"	3173	3026	14.82
13	A"	3138	2992	8.52
14	A"	1519	1448	10.17
15	A"	1296	1235	0.88
16	A"	1073	1023	0.61
17	A"	787	751	4.46
18	A"	274	261	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.576	-2.034	0.000
C2	0.601	-1.071	0.000
Br3	0.000	0.796	0.000
H4	1.224	-1.185	0.889
H5	1.224	-1.185	-0.889
H6	-0.202	-3.066	0.000
H7	-1.200	-1.893	0.887
H8	-1.200	-1.893	-0.887

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5204	2.8876	2.1794	2.1794	1.0975	1.0942	1.0942
C2	1.5204		1.9615	1.0914	1.0914	2.1504	2.1697	2.1697
Br3	2.8876	1.9615		2.4920	2.4920	3.8670	3.0750	3.0750
H4	2.1794	1.0914	2.4920		1.7785	2.5226	2.5255	3.0876
H5	2.1794	1.0914	2.4920	1.7785		2.5226	3.0876	2.5255
H6	1.0975	2.1504	3.8670	2.5226	2.5226		1.7775	1.7775
H7	1.0942	2.1697	3.0750	2.5255	3.0876	1.7775		1.7741
H8	1.0942	2.1697	3.0750	3.0876	2.5255	1.7775	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.428	C1	C2	H4	112.076
C1	C2	H5	112.076	C2	C1	H6	109.390
C2	C1	H7	111.124	C2	C1	H8	111.124
Br3	C2	H4	105.880	Br3	C2	H5	105.880
H4	C2	H5	109.132	H6	C1	H7	108.395
H6	C1	H8	108.395	H7	C1	H8	108.331

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)