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	hartrees
Energy at 0K	-2638.801555
Energy at 298.15K
HF Energy	-2638.484853
Nuclear repulsion energy	162.991979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3011	16.28
2	A'	3142	2989	5.72
3	A'	3089	2939	12.12
4	A'	1601	1523	3.34
5	A'	1579	1502	3.28
6	A'	1499	1426	6.32
7	A'	1350	1285	47.62
8	A'	1110	1056	2.84
9	A'	983	935	9.54
10	A'	604	574	11.52
11	A'	296	282	1.94
12	A"	3212	3055	10.09
13	A"	3181	3026	4.38
14	A"	1590	1513	8.47
15	A"	1337	1272	0.52
16	A"	1093	1040	0.02
17	A"	813	774	5.46
18	A"	275	262	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.588	-2.033	0.000
C2	0.618	-1.079	0.000
Br3	0.000	0.796	0.000
H4	1.232	-1.194	0.894
H5	1.232	-1.194	-0.894
H6	-0.235	-3.071	0.000
H7	-1.203	-1.866	0.889
H8	-1.203	-1.866	-0.889

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5375	2.8895	2.1946	2.1946	1.0967	1.0930	1.0930
C2	1.5375		1.9748	1.0905	1.0905	2.1663	2.1733	2.1733
Br3	2.8895	1.9748		2.5056	2.5056	3.8742	3.0536	3.0536
H4	2.1946	1.0905	2.5056		1.7876	2.5442	2.5259	3.0914
H5	2.1946	1.0905	2.5056	1.7876		2.5442	3.0914	2.5259
H6	1.0967	2.1663	3.8742	2.5442	2.5442		1.7826	1.7826
H7	1.0930	2.1733	3.0536	2.5259	3.0914	1.7826		1.7770
H8	1.0930	2.1733	3.0536	3.0914	2.5259	1.7826	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.088	C1	C2	H4	112.127
C1	C2	H5	112.127	C2	C1	H6	109.511
C2	C1	H7	110.273	C2	C1	H8	110.273
Br3	C2	H4	106.025	Br3	C2	H5	106.025
H4	C2	H5	110.094	H6	C1	H7	108.996
H6	C1	H8	108.996	H7	C1	H8	108.761

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)