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	hartrees
Energy at 0K	-27.178948
Energy at 298.15K
HF Energy	-26.985073
Nuclear repulsion energy	40.518488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3030	49.24
2	A'	3103	2999	29.53
3	A'	3038	2935	36.84
4	A'	1520	1468	4.35
5	A'	1496	1446	0.95
6	A'	1458	1409	4.82
7	A'	1335	1290	67.19
8	A'	1091	1054	0.81
9	A'	998	964	15.06
10	A'	549	531	13.70
11	A'	277	268	1.54
12	A"	3197	3089	41.16
13	A"	3155	3049	24.87
14	A"	1504	1453	8.67
15	A"	1285	1241	1.51
16	A"	1058	1022	0.66
17	A"	795	769	8.00
18	A"	263	255	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.592	-2.095	0.000
C2	0.621	-1.115	0.000
Br3	0.000	0.822	0.000
H4	1.245	-1.224	0.907
H5	1.245	-1.224	-0.907
H6	-0.213	-3.142	0.000
H7	-1.224	-1.949	0.900
H8	-1.224	-1.949	-0.900

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5592	2.9763	2.2262	2.2262	1.1133	1.1092	1.1092
C2	1.5592		2.0341	1.1062	1.1062	2.1916	2.2157	2.2157
Br3	2.9763	2.0341		2.5602	2.5602	3.9695	3.1601	3.1601
H4	2.2262	1.1062	2.5602		1.8141	2.5748	2.5736	3.1444
H5	2.2262	1.1062	2.5602	1.8141		2.5748	3.1444	2.5736
H6	1.1133	2.1916	3.9695	2.5748	2.5748		1.8040	1.8040
H7	1.1092	2.2157	3.1601	2.5736	3.1444	1.8040		1.7991
H8	1.1092	2.2157	3.1601	3.1444	2.5736	1.8040	1.7991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.166	C1	C2	H4	112.165
C1	C2	H5	112.165	C2	C1	H6	109.047
C2	C1	H7	111.149	C2	C1	H8	111.149
Br3	C2	H4	105.381	Br3	C2	H5	105.381
H4	C2	H5	110.161	H6	C1	H7	108.521
H6	C1	H8	108.521	H7	C1	H8	108.380

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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