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	hartrees
Energy at 0K	-2651.629145
Energy at 298.15K	-2651.634611
Nuclear repulsion energy	143.475548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3138	4.88
2	A'	3141	3108	4.10
3	A'	3077	3045	0.81
4	A'	1617	1600	57.79
5	A'	1365	1350	9.45
6	A'	1249	1236	25.08
7	A'	992	981	13.77
8	A'	595	589	26.28
9	A'	340	337	0.11
10	A"	934	924	45.83
11	A"	859	850	30.85
12	A"	577	571	19.35

Atom	x (Å)	y (Å)
C1	0.458	-1.118
C2	-0.444	-2.098
Br3	0.000	0.732
H4	1.538	-1.273
H5	-0.106	-3.138
H6	-1.519	-1.912

	C1	C2	Br3	H4	H5	H6
C1		1.3312	1.9060	1.0908	2.0969	2.1310
C2	1.3312		2.8640	2.1459	1.0937	1.0917
Br3	1.9060	2.8640		2.5270	3.8711	3.0497
H4	1.0908	2.1459	2.5270		2.4855	3.1232
H5	2.0969	1.0937	3.8711	2.4855		1.8707
H6	2.1310	1.0917	3.0497	3.1232	1.8707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.384	C1	C2	H6	122.865
C2	C1	Br3	123.461	C2	C1	H4	124.453
Br3	C1	H4	112.086	H5	C2	H6	117.751

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

using model chemistry: PBEPBE/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	-0.319
2	C	-0.389
3	Br	0.003
4	H	0.252
5	H	0.223
6	H	0.230

	x	y	z	Total
	0.236	-1.390	0.000	1.410
CHELPG
AIM
ESP

	x	y	z
x	4.948	0.549	0.000
y	0.549	8.917	0.000
z	0.000	0.000	2.897

<r²>	93.455
(<r²>)^1/2	9.667

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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