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	hartrees
Energy at 0K	-2649.854639
Energy at 298.15K	-2649.860329
Nuclear repulsion energy	145.222340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3386	3076	4.88
2	A'	3370	3062	3.13
3	A'	3291	2991	0.74
4	A'	1795	1631	46.25
5	A'	1520	1381	12.58
6	A'	1389	1262	33.45
7	A'	1108	1007	7.71
8	A'	652	592	27.91
9	A'	373	339	0.05
10	A"	1079	980	35.02
11	A"	1078	980	34.04
12	A"	654	594	18.26

Atom	x (Å)	y (Å)
C1	0.453	-1.111
C2	-0.437	-2.069
Br3	0.000	0.724
H4	1.510	-1.276
H5	-0.112	-3.093
H6	-1.492	-1.878

	C1	C2	Br3	H4	H5	H6
C1		1.3077	1.8901	1.0696	2.0605	2.0908
C2	1.3077		2.8271	2.1023	1.0740	1.0721
Br3	1.8901	2.8271		2.5056	3.8183	2.9997
H4	1.0696	2.1023	2.5056		2.4353	3.0617
H5	2.0605	1.0740	3.8183	2.4353		1.8385
H6	2.0908	1.0721	2.9997	3.0617	1.8385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.479	C1	C2	H6	122.635
C2	C1	Br3	123.247	C2	C1	H4	124.034
Br3	C1	H4	112.720	H5	C2	H6	117.887

All results from a given calculation for C₂H₃Br (vinyl bromide)

using model chemistry: HF/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	C	-0.150
2	C	-0.143
3	Br	-0.133
4	H	0.139
5	H	0.144
6	H	0.143

	x	y	z	Total
	0.223	-1.747	0.000	1.761
CHELPG
AIM
ESP

	x	y	z
x	6.071	0.689	0.000
y	0.689	9.251	0.000
z	0.000	0.000	5.084

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H3Br (vinyl bromide)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₃Br (vinyl bromide)