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	hartrees
Energy at 0K	-2638.492821
Energy at 298.15K
HF Energy	-2638.271217
Nuclear repulsion energy	160.943894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3023	24.70
2	A'	3154	3011	0.45
3	A'	3090	2949	12.79
4	A'	1601	1528	3.48
5	A'	1573	1501	4.36
6	A'	1504	1435	5.41
7	A'	1358	1296	50.20
8	A'	1106	1055	2.71
9	A'	998	952	10.79
10	A'	579	553	8.81
11	A'	291	278	1.51
12	A"	3226	3079	11.73
13	A"	3179	3034	8.15
14	A"	1591	1519	7.42
15	A"	1346	1284	0.63
16	A"	1086	1037	0.00
17	A"	802	766	6.38
18	A"	269	256	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.582	-2.068	0.000
C2	0.611	-1.105	0.000
Br3	0.000	0.812	0.000
H4	1.226	-1.220	0.891
H5	1.226	-1.220	-0.891
H6	-0.216	-3.101	0.000
H7	-1.202	-1.914	0.888
H8	-1.202	-1.914	-0.888

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5330	2.9378	2.1869	2.1869	1.0966	1.0933	1.0933
C2	1.5330		2.0118	1.0891	1.0891	2.1605	2.1744	2.1744
Br3	2.9378	2.0118		2.5350	2.5350	3.9190	3.1086	3.1086
H4	2.1869	1.0891	2.5350		1.7827	2.5321	2.5250	3.0887
H5	2.1869	1.0891	2.5350	1.7827		2.5321	3.0887	2.5250
H6	1.0966	2.1605	3.9190	2.5321	2.5321		1.7802	1.7802
H7	1.0933	2.1744	3.1086	2.5250	3.0887	1.7802		1.7751
H8	1.0933	2.1744	3.1086	3.0887	2.5250	1.7802	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.230	C1	C2	H4	111.913
C1	C2	H5	111.913	C2	C1	H6	109.376
C2	C1	H7	110.662	C2	C1	H8	110.662
Br3	C2	H4	105.794	Br3	C2	H5	105.794
H4	C2	H5	109.849	H6	C1	H7	108.770
H6	C1	H8	108.770	H7	C1	H8	108.555

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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