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	hartrees
Energy at 0K	-2652.252238
Energy at 298.15K	-2652.257781
Nuclear repulsion energy	144.060158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3129	1.72
2	A'	3210	3106	2.55
3	A'	3143	3041	0.11
4	A'	1657	1603	55.82
5	A'	1409	1363	10.88
6	A'	1282	1241	27.57
7	A'	1021	988	9.16
8	A'	602	582	26.87
9	A'	347	335	0.08
10	A"	977	945	32.72
11	A"	942	911	27.60
12	A"	601	581	16.95

Atom	x (Å)	y (Å)
C1	0.455	-1.119
C2	-0.440	-2.089
Br3	0.000	0.730
H4	1.522	-1.275
H5	-0.107	-3.118
H6	-1.504	-1.901

	C1	C2	Br3	H4	H5	H6
C1		1.3194	1.9040	1.0788	2.0767	2.1093
C2	1.3194		2.8524	2.1247	1.0824	1.0803
Br3	1.9040	2.8524		2.5169	3.8496	3.0305
H4	1.0788	2.1247	2.5169		2.4607	3.0908
H5	2.0767	1.0824	3.8496	2.4607		1.8529
H6	2.1093	1.0803	3.0305	3.0908	1.8529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.362	C1	C2	H6	122.731
C2	C1	Br3	123.460	C2	C1	H4	124.436
Br3	C1	H4	112.104	H5	C2	H6	117.907

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

using model chemistry: B3LYP/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	-0.322
2	C	-0.689
3	Br	-0.009
4	H	0.371
5	H	0.267
6	H	0.382

	x	y	z	Total
	0.219	-1.466	0.000	1.483
CHELPG
AIM
ESP

	x	y	z
x	6.547	0.604	-0.000
y	0.604	9.944	0.000
z	-0.000	0.000	5.454

<r²>	93.051
(<r²>)^1/2	9.646

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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