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	hartrees
Energy at 0K	-2652.103612
Energy at 298.15K	-2652.109147
Nuclear repulsion energy	144.348975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3126	4.38
2	A'	3220	3099	4.34
3	A'	3151	3034	0.88
4	A'	1673	1610	53.10
5	A'	1408	1355	9.82
6	A'	1291	1243	26.13
7	A'	1026	988	13.16
8	A'	616	593	26.01
9	A'	350	337	0.07
10	A"	974	937	46.20
11	A"	915	881	33.59
12	A"	598	575	19.84

Atom	x (Å)	y (Å)
C1	0.455	-1.112
C2	-0.440	-2.085
Br3	0.000	0.728
H4	1.526	-1.270
H5	-0.105	-3.118
H6	-1.509	-1.900

	C1	C2	Br3	H4	H5	H6
C1		1.3223	1.8950	1.0830	2.0830	2.1158
C2	1.3223		2.8468	2.1288	1.0861	1.0841
Br3	1.8950	2.8468		2.5144	3.8471	3.0297
H4	1.0830	2.1288	2.5144		2.4651	3.0996
H5	2.0830	1.0861	3.8471	2.4651		1.8583
H6	2.1158	1.0841	3.0297	3.0996	1.8583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.413	C1	C2	H6	122.791
C2	C1	Br3	123.483	C2	C1	H4	124.207
Br3	C1	H4	112.310	H5	C2	H6	117.796

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

using model chemistry: B3PW91/6-311G*

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	-0.329
2	C	-0.407
3	Br	-0.004
4	H	0.264
5	H	0.234
6	H	0.243

	x	y	z	Total
	0.230	-1.482	0.000	1.500
CHELPG
AIM
ESP

	x	y	z
x	4.826	0.577	0.000
y	0.577	8.611	0.000
z	0.000	0.000	2.859

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-311G*

States and conformations

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