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	hartrees
Energy at 0K	-2651.723693
Energy at 298.15K	-2651.729177
Nuclear repulsion energy	143.865330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3150	1.75
2	A'	3139	3117	3.13
3	A'	3078	3057	0.08
4	A'	1611	1600	58.10
5	A'	1357	1347	9.15
6	A'	1236	1228	24.09
7	A'	982	976	11.16
8	A'	599	595	25.32
9	A'	337	335	0.05
10	A"	939	933	33.98
11	A"	883	877	27.18
12	A"	583	579	15.79

Atom	x (Å)	y (Å)
C1	0.457	-1.115
C2	-0.443	-2.092
Br3	0.000	0.730
H4	1.534	-1.269
H5	-0.103	-3.130
H6	-1.515	-1.904

	C1	C2	Br3	H4	H5	H6
C1		1.3283	1.9004	1.0883	2.0911	2.1240
C2	1.3283		2.8568	2.1409	1.0911	1.0890
Br3	1.9004	2.8568		2.5199	3.8608	3.0389
H4	1.0883	2.1409	2.5199		2.4780	3.1144
H5	2.0911	1.0911	3.8608	2.4780		1.8694
H6	2.1240	1.0890	3.0389	3.1144	1.8694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.282	C1	C2	H6	122.654
C2	C1	Br3	123.493	C2	C1	H4	124.435
Br3	C1	H4	112.072	H5	C2	H6	118.064

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

using model chemistry: PBEPBE/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	-0.115
2	C	-0.223
3	Br	-0.039
4	H	0.124
5	H	0.126
6	H	0.127

	x	y	z	Total
	0.238	-1.359	0.000	1.379
CHELPG
AIM
ESP

	x	y	z
x	5.658	0.551	0.000
y	0.551	9.474	0.000
z	0.000	0.000	3.901

<r²>	93.120
(<r²>)^1/2	9.650

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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