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	hartrees
Energy at 0K	-2652.251094
Energy at 298.15K	-2652.256639
Nuclear repulsion energy	144.073191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3126	2.35
2	A'	3210	3103	3.11
3	A'	3142	3038	0.21
4	A'	1660	1605	52.33
5	A'	1409	1362	10.43
6	A'	1284	1241	28.15
7	A'	1022	988	9.57
8	A'	603	583	26.45
9	A'	347	336	0.07
10	A"	978	946	35.72
11	A"	941	910	26.95
12	A"	601	581	15.76

Atom	x (Å)	y (Å)
C1	0.455	-1.119
C2	-0.440	-2.088
Br3	0.000	0.730
H4	1.523	-1.275
H5	-0.109	-3.119
H6	-1.504	-1.900

	C1	C2	Br3	H4	H5	H6
C1		1.3191	1.9039	1.0790	2.0775	2.1091
C2	1.3191		2.8517	2.1245	1.0826	1.0805
Br3	1.9039	2.8517		2.5176	3.8498	3.0293
H4	1.0790	2.1245	2.5176		2.4618	3.0907
H5	2.0775	1.0826	3.8498	2.4618		1.8525
H6	2.1091	1.0805	3.0293	3.0907	1.8525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.447	C1	C2	H6	122.720
C2	C1	Br3	123.428	C2	C1	H4	124.422
Br3	C1	H4	112.150	H5	C2	H6	117.833

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

using model chemistry: B3LYP/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	-0.111
2	C	-0.243
3	Br	-0.052
4	H	0.139
5	H	0.131
6	H	0.137

	x	y	z	Total
	0.238	-1.470	0.000	1.489
CHELPG
AIM
ESP

	x	y	z
x	5.535	0.572	0.000
y	0.572	9.220	0.000
z	0.000	0.000	3.833

<r²>	92.920
(<r²>)^1/2	9.639

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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