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	hartrees
Energy at 0K	-2649.944931
Energy at 298.15K	-2649.950622
Nuclear repulsion energy	145.144717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3387	3083	5.16
2	A'	3371	3069	2.86
3	A'	3292	2997	0.85
4	A'	1795	1634	46.49
5	A'	1520	1384	12.78
6	A'	1389	1264	33.85
7	A'	1108	1009	7.41
8	A'	650	592	28.04
9	A'	373	339	0.06
10	A"	1078	981	57.28
11	A"	1077	981	11.25
12	A"	653	595	18.04

Atom	x (Å)	y (Å)
C1	0.453	-1.112
C2	-0.437	-2.070
Br3	0.000	0.724
H4	1.510	-1.277
H5	-0.111	-3.094
H6	-1.492	-1.879

	C1	C2	Br3	H4	H5	H6
C1		1.3080	1.8916	1.0694	2.0601	2.0909
C2	1.3080		2.8287	2.1025	1.0739	1.0720
Br3	1.8916	2.8287		2.5069	3.8194	3.0006
H4	1.0694	2.1025	2.5069		2.4345	3.0616
H5	2.0601	1.0739	3.8194	2.4345		1.8390
H6	2.0909	1.0720	3.0006	3.0616	1.8390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.417	C1	C2	H6	122.620
C2	C1	Br3	123.240	C2	C1	H4	124.038
Br3	C1	H4	112.722	H5	C2	H6	117.963

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

using model chemistry: HF/aug-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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Number	Element	Mulliken
1	C	-0.353
2	C	-0.969
3	Br	-0.064
4	H	0.480
5	H	0.390
6	H	0.516

	x	y	z	Total
	0.219	-1.743	0.000	1.756
CHELPG
AIM
ESP

	x	y	z
x	6.233	0.692	0.000
y	0.692	9.384	0.000
z	0.000	0.000	5.212

<r²>	91.869
(<r²>)^1/2	9.585

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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