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	hartrees
Energy at 0K	-2651.623643
Energy at 298.15K	-2651.629107
Nuclear repulsion energy	143.319711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3173	1.02
2	A'	3147	3128	3.21
3	A'	3085	3068	0.01
4	A'	1619	1609	55.32
5	A'	1332	1324	7.30
6	A'	1219	1212	23.24
7	A'	970	964	12.41
8	A'	599	596	25.36
9	A'	337	335	0.13
10	A"	929	924	35.11
11	A"	862	857	19.60
12	A"	577	574	13.72

Atom	x (Å)	y (Å)
C1	0.460	-1.115
C2	-0.446	-2.100
Br3	0.000	0.732
H4	1.548	-1.273
H5	-0.101	-3.145
H6	-1.528	-1.908

	C1	C2	Br3	H4	H5	H6
C1		1.3381	1.9036	1.0992	2.1059	2.1400
C2	1.3381		2.8670	2.1586	1.1009	1.0990
Br3	1.9036	2.8670		2.5327	3.8786	3.0500
H4	1.0992	2.1586	2.5327		2.4945	3.1406
H5	2.1059	1.1009	3.8786	2.4945		1.8894
H6	2.1400	1.0990	3.0500	3.1406	1.8894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.092	C1	C2	H6	122.525
C2	C1	Br3	123.411	C2	C1	H4	124.371
Br3	C1	H4	112.218	H5	C2	H6	118.383

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.157
2	C	0.036
3	Br	-0.034
4	H	0.062
5	H	0.048
6	H	0.045

	x	y	z	Total
	0.236	-1.248	0.000	1.270
CHELPG
AIM
ESP

	x	y	z
x	4.932	0.512	0.000
y	0.512	8.698	0.000
z	0.000	0.000	2.722

<r²>	93.421
(<r²>)^1/2	9.665

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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