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	hartrees
Energy at 0K	-2649.004581
Energy at 298.15K
HF Energy	-2648.547106
Nuclear repulsion energy	163.184535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3183	3019
2	A'	3158	2995
3	A'	3098	2938
4	A'	1550	1470
5	A'	1535	1456
6	A'	1458	1383
7	A'	1316	1248
8	A'	1107	1050
9	A'	1000	948
10	A'	574	545
11	A'	291	276
12	A"	3232	3066
13	A"	3200	3035
14	A"	1537	1458
15	A"	1300	1233
16	A"	1057	1003
17	A"	781	741
18	A"	272	258

Atom	x (Å)	y (Å)	z (Å)
C1	-0.579	-2.035	0.000
C2	0.606	-1.084	0.000
Br3	0.000	0.798	0.000
H4	1.224	-1.189	0.889
H5	1.224	-1.189	-0.889
H6	-0.217	-3.067	0.000
H7	-1.197	-1.881	0.884
H8	-1.197	-1.881	-0.884

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5186	2.8909	2.1801	2.1801	1.0932	1.0899	1.0899
C2	1.5186		1.9769	1.0875	1.0875	2.1466	2.1603	2.1603
Br3	2.8909	1.9769		2.4968	2.4968	3.8703	3.0646	3.0646
H4	2.1801	1.0875	2.4968		1.7775	2.5282	2.5174	3.0792
H5	2.1801	1.0875	2.4968	1.7775		2.5282	3.0792	2.5174
H6	1.0932	2.1466	3.8703	2.5282	2.5282		1.7737	1.7737
H7	1.0899	2.1603	3.0646	2.5174	3.0792	1.7737		1.7688
H8	1.0899	2.1603	3.0646	3.0792	2.5174	1.7737	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.909	C1	C2	H4	112.497
C1	C2	H5	112.497	C2	C1	H6	109.467
C2	C1	H7	110.748	C2	C1	H8	110.748
Br3	C2	H4	105.424	Br3	C2	H5	105.424
H4	C2	H5	109.624	H6	C1	H7	108.674
H6	C1	H8	108.674	H7	C1	H8	108.475

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G**

States and conformations

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