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	hartrees
Energy at 0K	-2651.726610
Energy at 298.15K
HF Energy	-2651.142528
Nuclear repulsion energy	165.278046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3007	14.05
2	A'	3133	2975	8.98
3	A'	3079	2923	14.90
4	A'	1513	1437	2.04
5	A'	1497	1421	1.36
6	A'	1416	1344	4.63
7	A'	1295	1230	45.01
8	A'	1098	1042	0.04
9	A'	993	943	11.91
10	A'	613	582	10.14
11	A'	292	278	1.25
12	A"	3206	3044	8.06
13	A"	3179	3019	3.44
14	A"	1502	1426	9.04
15	A"	1279	1215	0.41
16	A"	1050	997	0.18
17	A"	778	739	3.40
18	A"	271	257	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.573	-2.010	0.000
C2	0.600	-1.057	0.000
Br3	0.000	0.786	0.000
H4	1.218	-1.169	0.884
H5	1.218	-1.169	-0.884
H6	-0.209	-3.038	0.000
H7	-1.192	-1.863	0.882
H8	-1.192	-1.863	-0.882

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5115	2.8544	2.1683	2.1683	1.0904	1.0873	1.0873
C2	1.5115		1.9380	1.0852	1.0852	2.1398	2.1536	2.1536
Br3	2.8544	1.9380		2.4672	2.4672	3.8298	3.0358	3.0358
H4	2.1683	1.0852	2.4672		1.7687	2.5131	2.5090	3.0681
H5	2.1683	1.0852	2.4672	1.7687		2.5131	3.0681	2.5090
H6	1.0904	2.1398	3.8298	2.5131	2.5131		1.7677	1.7677
H7	1.0873	2.1536	3.0358	2.5090	3.0681	1.7677		1.7631
H8	1.0873	2.1536	3.0358	3.0681	2.5090	1.7677	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.080	C1	C2	H4	112.195
C1	C2	H5	112.195	C2	C1	H6	109.592
C2	C1	H7	110.879	C2	C1	H8	110.879
Br3	C2	H4	105.916	Br3	C2	H5	105.916
H4	C2	H5	109.163	H6	C1	H7	108.537
H6	C1	H8	108.537	H7	C1	H8	108.348

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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