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	hartrees
Energy at 0K	-2649.697492
Energy at 298.15K	-2649.703017
Nuclear repulsion energy	143.781034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3133	3.34
2	A'	3234	3107	3.99
3	A'	3165	3041	0.22
4	A'	1681	1615	44.45
5	A'	1414	1359	8.99
6	A'	1284	1234	29.89
7	A'	1022	982	10.23
8	A'	597	574	26.89
9	A'	348	334	0.14
10	A"	979	940	36.56
11	A"	929	893	21.94
12	A"	602	578	12.07

Atom	x (Å)	y (Å)
C1	0.461	-1.120
C2	-0.444	-2.089
Br3	0.000	0.730
H4	1.532	-1.279
H5	-0.121	-3.126
H6	-1.511	-1.893

	C1	C2	Br3	H4	H5	H6
C1		1.3259	1.9070	1.0830	2.0886	2.1172
C2	1.3259		2.8543	2.1360	1.0863	1.0843
Br3	1.9070	2.8543		2.5267	3.8584	3.0267
H4	1.0830	2.1360	2.5267		2.4788	3.1038
H5	2.0886	1.0863	3.8584	2.4788		1.8584
H6	2.1172	1.0843	3.0267	3.1038	1.8584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.633	C1	C2	H6	122.586
C2	C1	Br3	122.976	C2	C1	H4	124.613
Br3	C1	H4	112.411	H5	C2	H6	117.781

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

using model chemistry: B3LYP/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	-0.071
2	C	-0.209
3	Br	-0.109
4	H	0.141
5	H	0.120
6	H	0.129

	x	y	z	Total
	0.246	-1.466	0.000	1.487
CHELPG
AIM
ESP

	x	y	z
x	4.959	0.565	0.000
y	0.565	8.342	0.000
z	0.000	0.000	2.884

<r²>	92.717
(<r²>)^1/2	9.629

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

using model chemistry: B3LYP/6-31G**

States and conformations

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