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	hartrees
Energy at 0K	-2651.634592
Energy at 298.15K	-2651.640066
Nuclear repulsion energy	143.506974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3145	2.46
2	A'	3143	3115	3.37
3	A'	3079	3051	0.10
4	A'	1611	1597	58.77
5	A'	1354	1342	9.03
6	A'	1236	1225	25.37
7	A'	980	972	13.60
8	A'	594	589	26.52
9	A'	339	336	0.12
10	A"	937	928	44.03
11	A"	873	865	27.93
12	A"	580	575	18.25

Atom	x (Å)	y (Å)
C1	0.458	-1.118
C2	-0.444	-2.097
Br3	0.000	0.732
H4	1.537	-1.271
H5	-0.105	-3.136
H6	-1.519	-1.910

	C1	C2	Br3	H4	H5	H6
C1		1.3311	1.9060	1.0899	2.0947	2.1293
C2	1.3311		2.8635	2.1467	1.0928	1.0908
Br3	1.9060	2.8635		2.5246	3.8691	3.0469
H4	1.0899	2.1467	2.5246		2.4852	3.1220
H5	2.0947	1.0928	3.8691	2.4852		1.8713
H6	2.1293	1.0908	3.0469	3.1220	1.8713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.259	C1	C2	H6	122.780
C2	C1	Br3	123.422	C2	C1	H4	124.627
Br3	C1	H4	111.951	H5	C2	H6	117.961

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	-0.249
2	C	-0.182
3	Br	-0.007
4	H	0.168
5	H	0.133
6	H	0.137

	x	y	z	Total
	0.233	-1.384	0.000	1.403
CHELPG
AIM
ESP

	x	y	z
x	4.993	0.553	0.000
y	0.553	8.962	0.000
z	0.000	0.000	2.960

<r²>	93.407
(<r²>)^1/2	9.665

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)