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	hartrees
Energy at 0K	-2649.200660
Energy at 298.15K	-2649.206132
Nuclear repulsion energy	143.636612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3160	1.80
2	A'	3159	3123	3.51
3	A'	3099	3063	0.02
4	A'	1618	1600	64.66
5	A'	1360	1344	9.64
6	A'	1245	1231	22.61
7	A'	986	975	15.59
8	A'	594	587	28.29
9	A'	336	332	0.03
10	A"	937	926	44.58
11	A"	879	869	32.04
12	A"	592	585	21.30

Atom	x (Å)	y (Å)
C1	0.456	-1.111
C2	-0.443	-2.101
Br3	0.000	0.731
H4	1.537	-1.265
H5	-0.093	-3.138
H6	-1.521	-1.920

	C1	C2	Br3	H4	H5	H6
C1		1.3371	1.8974	1.0921	2.1002	2.1354
C2	1.3371		2.8664	2.1489	1.0943	1.0928
Br3	1.8974	2.8664		2.5193	3.8702	3.0560
H4	1.0921	2.1489	2.5193		2.4830	3.1267
H5	2.1002	1.0943	3.8702	2.4830		1.8763
H6	2.1354	1.0928	3.0560	3.1267	1.8763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.156	C1	C2	H6	122.680
C2	C1	Br3	123.880	C2	C1	H4	124.100
Br3	C1	H4	112.020	H5	C2	H6	118.164

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

using model chemistry: PBEPBE/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	-0.135
2	C	-0.257
3	Br	-0.128
4	H	0.182
5	H	0.166
6	H	0.172

	x	y	z	Total
	0.241	-1.390	0.000	1.411
CHELPG
AIM
ESP

	x	y	z
x	5.845	0.666	0.000
y	0.666	9.510	0.000
z	0.000	0.000	4.527

<r²>	93.615
(<r²>)^1/2	9.675

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

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

States and conformations

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