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	hartrees
Energy at 0K	-2649.110270
Energy at 298.15K	-2649.115804
HF Energy	-2648.987848
Nuclear repulsion energy	143.918213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3132	2.96
2	A'	3270	3104	4.44
3	A'	3205	3042	0.30
4	A'	1685	1599	37.95
5	A'	1439	1366	9.90
6	A'	1304	1238	29.82
7	A'	1039	986	9.60
8	A'	607	577	24.74
9	A'	351	334	0.12
10	A"	988	938	39.83
11	A"	928	881	23.17
12	A"	603	573	12.20

Atom	x (Å)	y (Å)
C1	0.463	-1.119
C2	-0.446	-2.091
Br3	0.000	0.731
H4	1.533	-1.282
H5	-0.125	-3.128
H6	-1.511	-1.895

	C1	C2	Br3	H4	H5	H6
C1		1.3301	1.9070	1.0826	2.0927	2.1211
C2	1.3301		2.8566	2.1378	1.0854	1.0838
Br3	1.9070	2.8566		2.5297	3.8605	3.0297
H4	1.0826	2.1378	2.5297		2.4814	3.1058
H5	2.0927	1.0854	3.8605	2.4814		1.8555
H6	2.1211	1.0838	3.0297	3.1058	1.8555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.736	C1	C2	H6	122.655
C2	C1	Br3	122.891	C2	C1	H4	124.450
Br3	C1	H4	112.659	H5	C2	H6	117.609

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

using model chemistry: B2PLYP/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	-0.119
2	C	-0.320
3	Br	-0.110
4	H	0.196
5	H	0.172
6	H	0.181

	x	y	z	Total
	0.253	-1.536	0.000	1.556
CHELPG
AIM
ESP

	x	y	z
x	4.871	0.534	0.000
y	0.534	8.125	0.000
z	0.000	0.000	2.817

<r²>	92.630
(<r²>)^1/2	9.624

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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