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	hartrees
Energy at 0K	-2651.756500
Energy at 298.15K
HF Energy	-2651.142608
Nuclear repulsion energy	164.759273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	2936	23.62
2	A'	3128	2921	4.11
3	A'	3066	2863	17.29
4	A'	1520	1419	1.89
5	A'	1508	1408	1.25
6	A'	1434	1339	3.81
7	A'	1311	1225	47.50
8	A'	1101	1028	0.05
9	A'	999	933	10.55
10	A'	608	568	11.02
11	A'	293	274	1.20
12	A"	3194	2982	8.96
13	A"	3157	2948	7.09
14	A"	1509	1409	8.16
15	A"	1289	1203	0.34
16	A"	1057	987	0.19
17	A"	781	730	3.03
18	A"	265	248	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.573	-2.020	0.000
C2	0.599	-1.061	0.000
Br3	0.000	0.789	0.000
H4	1.218	-1.172	0.884
H5	1.218	-1.172	-0.884
H6	-0.205	-3.047	0.000
H7	-1.194	-1.876	0.882
H8	-1.194	-1.876	-0.882

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5145	2.8668	2.1702	2.1702	1.0914	1.0883	1.0883
C2	1.5145		1.9448	1.0849	1.0849	2.1425	2.1583	2.1583
Br3	2.8668	1.9448		2.4721	2.4721	3.8417	3.0510	3.0510
H4	2.1702	1.0849	2.4721		1.7682	2.5145	2.5129	3.0716
H5	2.1702	1.0849	2.4721	1.7682		2.5145	3.0716	2.5129
H6	1.0914	2.1425	3.8417	2.5145	2.5145		1.7685	1.7685
H7	1.0883	2.1583	3.0510	2.5129	3.0716	1.7685		1.7646
H8	1.0883	2.1583	3.0510	3.0716	2.5129	1.7685	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.328	C1	C2	H4	112.150
C1	C2	H5	112.150	C2	C1	H6	109.542
C2	C1	H7	110.983	C2	C1	H8	110.983
Br3	C2	H4	105.840	Br3	C2	H5	105.840
H4	C2	H5	109.152	H6	C1	H7	108.460
H6	C1	H8	108.460	H7	C1	H8	108.339

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

using model chemistry: CCD/cc-pVTZ

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/cc-pVTZ

States and conformations

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