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	hartrees
Energy at 0K	-2651.476247
Energy at 298.15K
HF Energy	-2651.033447
Nuclear repulsion energy	163.488665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3120	2987	30.19
2	A'	3104	2972	5.94
3	A'	3043	2914	20.81
4	A'	1528	1463	3.38
5	A'	1519	1454	1.55
6	A'	1451	1389	7.02
7	A'	1327	1270	55.10
8	A'	1105	1058	0.27
9	A'	999	957	11.71
10	A'	587	562	13.33
11	A'	295	283	1.53
12	A"	3171	3036	15.34
13	A"	3135	3002	8.78
14	A"	1518	1453	10.07
15	A"	1294	1239	0.87
16	A"	1071	1025	0.61
17	A"	786	753	4.40
18	A"	274	262	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.576	-2.035	0.000
C2	0.602	-1.073	0.000
Br3	0.000	0.796	0.000
H4	1.224	-1.186	0.890
H5	1.224	-1.186	-0.890
H6	-0.203	-3.068	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	2.8888	2.1794	2.1794	1.0979	1.0943	1.0943
C2	1.5204		1.9632	1.0915	1.0915	2.1513	2.1696	2.1696
Br3	2.8888	1.9632		2.4938	2.4938	3.8691	3.0755	3.0755
H4	2.1794	1.0915	2.4938		1.7790	2.5237	2.5253	3.0877
H5	2.1794	1.0915	2.4938	1.7790		2.5237	3.0877	2.5253
H6	1.0979	2.1513	3.8691	2.5237	2.5237		1.7779	1.7779
H7	1.0943	2.1696	3.0755	2.5253	3.0877	1.7779		1.7744
H8	1.0943	2.1696	3.0755	3.0877	2.5253	1.7779	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.411	C1	C2	H4	112.068
C1	C2	H5	112.068	C2	C1	H6	109.443
C2	C1	H7	111.104	C2	C1	H8	111.104
Br3	C2	H4	105.886	Br3	C2	H5	105.886
H4	C2	H5	109.157	H6	C1	H7	108.386
H6	C1	H8	108.386	H7	C1	H8	108.336

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

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

States and conformations

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