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	hartrees
Energy at 0K	-2652.114563
Energy at 298.15K	-2652.120006
Nuclear repulsion energy	142.277166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3143	7.95
2	A'	3127	3119	3.70
3	A'	3061	3053	1.77
4	A'	1602	1598	54.78
5	A'	1374	1371	11.42
6	A'	1254	1251	30.35
7	A'	997	995	12.02
8	A'	566	565	28.59
9	A'	336	335	0.27
10	A"	934	932	47.38
11	A"	865	863	25.50
12	A"	573	571	18.47

Atom	x (Å)	y (Å)
C1	0.459	-1.136
C2	-0.444	-2.115
Br3	0.000	0.739
H4	1.537	-1.289
H5	-0.109	-3.155
H6	-1.519	-1.932

	C1	C2	Br3	H4	H5	H6
C1		1.3320	1.9305	1.0888	2.0972	2.1323
C2	1.3320		2.8886	2.1466	1.0925	1.0902
Br3	1.9305	2.8886		2.5447	3.8956	3.0734
H4	1.0888	2.1466	2.5447		2.4882	3.1231
H5	2.0972	1.0925	3.8956	2.4882		1.8661
H6	2.1323	1.0902	3.0734	3.1231	1.8661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.439	C1	C2	H6	123.055
C2	C1	Br3	123.555	C2	C1	H4	124.619
Br3	C1	H4	111.826	H5	C2	H6	117.506

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

using model chemistry: BLYP/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	-0.285
2	C	-0.362
3	Br	-0.013
4	H	0.237
5	H	0.207
6	H	0.215

	x	y	z	Total
	0.242	-1.441	0.000	1.461
CHELPG
AIM
ESP

	x	y	z
x	4.970	0.546	0.000
y	0.546	9.045	0.000
z	0.000	0.000	2.888

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/6-311G*

States and conformations

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