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	hartrees
Energy at 0K	-2648.992770
Energy at 298.15K
HF Energy	-2648.547276
Nuclear repulsion energy	164.296296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3021	14.20
2	A'	3190	2981	10.58
3	A'	3136	2930	14.48
4	A'	1561	1459	1.90
5	A'	1545	1444	0.92
6	A'	1466	1370	3.86
7	A'	1332	1244	56.42
8	A'	1122	1048	0.08
9	A'	1013	946	10.62
10	A'	599	559	12.33
11	A'	296	277	1.78
12	A"	3272	3058	11.25
13	A"	3249	3036	3.36
14	A"	1548	1447	7.30
15	A"	1314	1228	0.39
16	A"	1072	1002	0.17
17	A"	791	739	3.23
18	A"	281	262	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.575	-2.021	0.000
C2	0.602	-1.073	0.000
Br3	0.000	0.792	0.000
H4	1.219	-1.180	0.886
H5	1.219	-1.180	-0.886
H6	-0.215	-3.049	0.000
H7	-1.192	-1.869	0.881
H8	-1.192	-1.869	-0.881

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5115	2.8707	2.1707	2.1707	1.0897	1.0864	1.0864
C2	1.5115		1.9593	1.0849	1.0849	2.1387	2.1515	2.1515
Br3	2.8707	1.9593		2.4815	2.4815	3.8469	3.0456	3.0456
H4	2.1707	1.0849	2.4815		1.7718	2.5172	2.5076	3.0678
H5	2.1707	1.0849	2.4815	1.7718		2.5172	3.0678	2.5076
H6	1.0897	2.1387	3.8469	2.5172	2.5172		1.7676	1.7676
H7	1.0864	2.1515	3.0456	2.5076	3.0678	1.7676		1.7626
H8	1.0864	2.1515	3.0456	3.0678	2.5076	1.7676	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.945	C1	C2	H4	112.404
C1	C2	H5	112.404	C2	C1	H6	109.540
C2	C1	H7	110.759	C2	C1	H8	110.759
Br3	C2	H4	105.585	Br3	C2	H5	105.585
H4	C2	H5	109.483	H6	C1	H7	108.646
H6	C1	H8	108.646	H7	C1	H8	108.433

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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