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	hartrees
Energy at 0K	-2651.869253
Energy at 298.15K
HF Energy	-2651.033647
Nuclear repulsion energy	164.436619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3007	16.96
2	A'	3141	2975	11.65
3	A'	3086	2923	16.50
4	A'	1539	1458	4.06
5	A'	1525	1444	2.03
6	A'	1452	1376	9.29
7	A'	1335	1264	51.71
8	A'	1113	1054	0.29
9	A'	1006	953	13.57
10	A'	607	575	11.42
11	A'	299	283	1.53
12	A"	3215	3045	12.66
13	A"	3190	3021	4.05
14	A"	1528	1447	11.77
15	A"	1302	1233	1.07
16	A"	1079	1022	0.56
17	A"	793	751	5.31
18	A"	283	268	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.574	-2.022	0.000
C2	0.600	-1.064	0.000
Br3	0.000	0.791	0.000
H4	1.220	-1.179	0.887
H5	1.220	-1.179	-0.887
H6	-0.204	-3.051	0.000
H7	-1.196	-1.879	0.884
H8	-1.196	-1.879	-0.884

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5148	2.8707	2.1716	2.1716	1.0941	1.0906	1.0906
C2	1.5148		1.9493	1.0889	1.0889	2.1439	2.1614	2.1614
Br3	2.8707	1.9493		2.4815	2.4815	3.8478	3.0566	3.0566
H4	2.1716	1.0889	2.4815		1.7743	2.5141	2.5159	3.0769
H5	2.1716	1.0889	2.4815	1.7743		2.5141	3.0769	2.5159
H6	1.0941	2.1439	3.8478	2.5141	2.5141		1.7721	1.7721
H7	1.0906	2.1614	3.0566	2.5159	3.0769	1.7721		1.7683
H8	1.0906	2.1614	3.0566	3.0769	2.5159	1.7721	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.314	C1	C2	H4	111.998
C1	C2	H5	111.998	C2	C1	H6	109.465
C2	C1	H7	111.065	C2	C1	H8	111.065
Br3	C2	H4	106.032	Br3	C2	H5	106.032
H4	C2	H5	109.124	H6	C1	H7	108.416
H6	C1	H8	108.416	H7	C1	H8	108.333

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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