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	hartrees
Energy at 0K	-2650.968921
Energy at 298.15K	-2650.974392
HF Energy	-2650.968921
Nuclear repulsion energy	143.426530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3152	4.32
2	A'	3174	3120	4.31
3	A'	3110	3056	0.57
4	A'	1622	1594	62.80
5	A'	1378	1354	11.45
6	A'	1260	1239	26.18
7	A'	998	981	14.39
8	A'	577	567	31.34
9	A'	339	333	0.07
10	A"	942	925	46.33
11	A"	884	869	28.56
12	A"	590	580	20.76

Atom	x (Å)	y (Å)
C1	0.457	-1.117
C2	-0.444	-2.102
Br3	0.000	0.733
H4	1.534	-1.269
H5	-0.099	-3.137
H6	-1.516	-1.918

	C1	C2	Br3	H4	H5	H6
C1		1.3350	1.9050	1.0875	2.0951	2.1299
C2	1.3350		2.8694	2.1458	1.0903	1.0886
Br3	1.9050	2.8694		2.5218	3.8706	3.0536
H4	1.0875	2.1458	2.5218		2.4808	3.1186
H5	2.0951	1.0903	3.8706	2.4808		1.8694
H6	2.1299	1.0886	3.0536	3.1186	1.8694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.467	C1	C2	H6	122.816
C2	C1	Br3	123.649	C2	C1	H4	124.414
Br3	C1	H4	111.937	H5	C2	H6	117.717

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

using model chemistry: B97D3/6-31+G**

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	-0.123
2	C	-0.233
3	Br	-0.140
4	H	0.173
5	H	0.158
6	H	0.165

	x	y	z	Total
	0.243	-1.453	0.000	1.473
CHELPG
AIM
ESP

	x	y	z
x	5.806	0.674	0.000
y	0.674	9.463	0.000
z	0.000	0.000	4.512

<r²>	93.657
(<r²>)^1/2	9.678

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

using model chemistry: B97D3/6-31+G**

States and conformations

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