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	hartrees
Energy at 0K	-2649.650716
Energy at 298.15K	-2649.656253
Nuclear repulsion energy	144.465667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3139	2.27
2	A'	3244	3109	3.97
3	A'	3176	3043	0.11
4	A'	1687	1617	46.61
5	A'	1409	1350	8.44
6	A'	1283	1229	26.33
7	A'	1020	977	11.71
8	A'	613	587	25.79
9	A'	350	335	0.09
10	A"	979	938	38.35
11	A"	928	890	27.58
12	A"	605	580	13.55

Atom	x (Å)	y (Å)
C1	0.460	-1.110
C2	-0.444	-2.080
Br3	0.000	0.726
H4	1.532	-1.270
H5	-0.118	-3.117
H6	-1.510	-1.883

	C1	C2	Br3	H4	H5	H6
C1		1.3256	1.8931	1.0836	2.0881	2.1163
C2	1.3256		2.8412	2.1350	1.0864	1.0846
Br3	1.8931	2.8412		2.5159	3.8447	3.0149
H4	1.0836	2.1350	2.5159		2.4764	3.1030
H5	2.0881	1.0864	3.8447	2.4764		1.8599
H6	2.1163	1.0846	3.0149	3.1030	1.8599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.600	C1	C2	H6	122.504
C2	C1	Br3	122.975	C2	C1	H4	124.492
Br3	C1	H4	112.533	H5	C2	H6	117.895

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

using model chemistry: B3PW91/6-31G**

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	-0.112
2	C	-0.262
3	Br	-0.099
4	H	0.171
5	H	0.147
6	H	0.155

	x	y	z	Total
	0.242	-1.468	0.000	1.488
CHELPG
AIM
ESP

	x	y	z
x	4.962	0.572	0.000
y	0.572	8.308	0.000
z	0.000	0.000	2.904

<r²>	91.932
(<r²>)^1/2	9.588

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

using model chemistry: B3PW91/6-31G**

States and conformations

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