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	hartrees
Energy at 0K	-2649.507754
Energy at 298.15K	-2649.513191
Nuclear repulsion energy	140.467359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3170	9.63
2	A'	3180	3155	0.62
3	A'	3093	3070	0.82
4	A'	1625	1613	49.28
5	A'	1409	1398	9.89
6	A'	1258	1248	38.00
7	A'	1008	1000	10.81
8	A'	529	525	29.57
9	A'	326	323	0.85
10	A"	953	946	71.41
11	A"	922	915	12.04
12	A"	590	586	16.14

Atom	x (Å)	y (Å)
C1	0.475	-1.168
C2	-0.455	-2.128
Br3	0.000	0.748
H4	1.554	-1.315
H5	-0.153	-3.180
H6	-1.525	-1.914

	C1	C2	Br3	H4	H5	H6
C1		1.3373	1.9739	1.0889	2.1081	2.1351
C2	1.3373		2.9123	2.1675	1.0943	1.0914
Br3	1.9739	2.9123		2.5830	3.9312	3.0680
H4	1.0889	2.1675	2.5830		2.5283	3.1370
H5	2.1081	1.0943	3.9312	2.5283		1.8673
H6	2.1351	1.0914	3.0680	3.1370	1.8673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.889	C1	C2	H6	122.747
C2	C1	Br3	121.990	C2	C1	H4	126.301
Br3	C1	H4	111.709	H5	C2	H6	117.364

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

using model chemistry: BLYP/6-31G

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	-0.316
2	C	-0.183
3	Br	0.054
4	H	0.168
5	H	0.135
6	H	0.141

	x	y	z	Total
	0.252	-1.636	0.000	1.655
CHELPG
AIM
ESP

	x	y	z
x	4.153	0.398	0.000
y	0.398	8.324	0.000
z	0.000	0.000	1.636

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/6-31G

States and conformations

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