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	hartrees
Energy at 0K	-2638.798568
Energy at 298.15K
HF Energy	-2638.485043
Nuclear repulsion energy	163.149310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	2967	24.90
2	A'	3163	2956	0.30
3	A'	3104	2900	14.70
4	A'	1608	1502	3.36
5	A'	1588	1484	3.75
6	A'	1515	1416	6.61
7	A'	1366	1276	48.29
8	A'	1122	1048	3.26
9	A'	991	926	9.17
10	A'	609	569	12.70
11	A'	299	279	1.83
12	A"	3230	3018	9.76
13	A"	3188	2979	6.84
14	A"	1598	1493	8.74
15	A"	1347	1259	0.52
16	A"	1104	1031	0.02
17	A"	819	765	5.46
18	A"	270	253	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.587	-2.033	0.000
C2	0.616	-1.077	0.000
Br3	0.000	0.796	0.000
H4	1.229	-1.193	0.891
H5	1.229	-1.193	-0.891
H6	-0.231	-3.069	0.000
H7	-1.202	-1.870	0.887
H8	-1.202	-1.870	-0.887

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5362	2.8890	2.1905	2.1905	1.0951	1.0915	1.0915
C2	1.5362		1.9718	1.0880	1.0880	2.1644	2.1723	2.1723
Br3	2.8890	1.9718		2.5020	2.5020	3.8716	3.0558	3.0558
H4	2.1905	1.0880	2.5020		1.7823	2.5394	2.5237	3.0871
H5	2.1905	1.0880	2.5020	1.7823		2.5394	3.0871	2.5237
H6	1.0951	2.1644	3.8716	2.5394	2.5394		1.7790	1.7790
H7	1.0915	2.1723	3.0558	2.5237	3.0871	1.7790		1.7739
H8	1.0915	2.1723	3.0558	3.0871	2.5237	1.7790	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.272	C1	C2	H4	112.049
C1	C2	H5	112.049	C2	C1	H6	109.550
C2	C1	H7	110.379	C2	C1	H8	110.379
Br3	C2	H4	106.078	Br3	C2	H5	106.078
H4	C2	H5	109.977	H6	C1	H7	108.897
H6	C1	H8	108.897	H7	C1	H8	108.702

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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