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	hartrees
Energy at 0K	-2648.990279
Energy at 298.15K
HF Energy	-2648.547242
Nuclear repulsion energy	163.699542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3008	21.38
2	A'	3182	2984	9.49
3	A'	3122	2927	17.83
4	A'	1561	1463	1.52
5	A'	1549	1452	0.86
6	A'	1474	1382	2.68
7	A'	1337	1254	57.55
8	A'	1120	1050	0.09
9	A'	1013	949	8.83
10	A'	593	556	12.50
11	A'	296	277	1.65
12	A"	3256	3053	13.20
13	A"	3224	3023	7.16
14	A"	1549	1452	6.27
15	A"	1314	1232	0.30
16	A"	1073	1006	0.22
17	A"	790	741	2.61
18	A"	273	256	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.577	-2.030	0.000
C2	0.603	-1.077	0.000
Br3	0.000	0.795	0.000
H4	1.221	-1.184	0.887
H5	1.221	-1.184	-0.887
H6	-0.213	-3.059	0.000
H7	-1.195	-1.880	0.883
H8	-1.195	-1.880	-0.883

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5166	2.8834	2.1757	2.1757	1.0915	1.0883	1.0883
C2	1.5166		1.9670	1.0858	1.0858	2.1438	2.1582	2.1582
Br3	2.8834	1.9670		2.4885	2.4885	3.8603	3.0601	3.0601
H4	2.1757	1.0858	2.4885		1.7732	2.5221	2.5143	3.0746
H5	2.1757	1.0858	2.4885	1.7732		2.5221	3.0746	2.5143
H6	1.0915	2.1438	3.8603	2.5221	2.5221		1.7703	1.7703
H7	1.0883	2.1582	3.0601	2.5143	3.0746	1.7703		1.7659
H8	1.0883	2.1582	3.0601	3.0746	2.5143	1.7703	1.7659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.065	C1	C2	H4	112.387
C1	C2	H5	112.387	C2	C1	H6	109.482
C2	C1	H7	110.819	C2	C1	H8	110.819
Br3	C2	H4	105.542	Br3	C2	H5	105.542
H4	C2	H5	109.480	H6	C1	H7	108.607
H6	C1	H8	108.607	H7	C1	H8	108.447

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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