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	hartrees
Energy at 0K	-2652.153442
Energy at 298.15K	-2652.158966
Nuclear repulsion energy	143.655787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3125	6.18
2	A'	3211	3103	3.79
3	A'	3141	3035	1.20
4	A'	1664	1608	51.24
5	A'	1413	1365	10.71
6	A'	1291	1248	29.57
7	A'	1028	993	11.78
8	A'	599	579	27.38
9	A'	349	337	0.12
10	A"	972	940	46.93
11	A"	918	887	29.20
12	A"	595	575	19.07

Atom	x (Å)	y (Å)
C1	0.457	-1.123
C2	-0.441	-2.094
Br3	0.000	0.732
H4	1.527	-1.279
H5	-0.111	-3.128
H6	-1.509	-1.908

	C1	C2	Br3	H4	H5	H6
C1		1.3224	1.9097	1.0820	2.0837	2.1162
C2	1.3224		2.8596	2.1303	1.0856	1.0836
Br3	1.9097	2.8596		2.5250	3.8610	3.0401
H4	1.0820	2.1303	2.5250		2.4697	3.1002
H5	2.0837	1.0856	3.8610	2.4697		1.8556
H6	2.1162	1.0836	3.0401	3.1002	1.8556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.514	C1	C2	H6	122.867
C2	C1	Br3	123.416	C2	C1	H4	124.436
Br3	C1	H4	112.149	H5	C2	H6	117.619

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

using model chemistry: B3LYP/6-311G*

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	-0.302
2	C	-0.386
3	Br	-0.014
4	H	0.251
5	H	0.221
6	H	0.230

	x	y	z	Total
	0.239	-1.505	0.000	1.523
CHELPG
AIM
ESP

	x	y	z
x	4.860	0.569	0.000
y	0.569	8.696	0.000
z	0.000	0.000	2.855

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-311G*

States and conformations

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