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	hartrees
Energy at 0K	-2646.464805
Energy at 298.15K	-2646.470296
Nuclear repulsion energy	145.357333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3150	0.12
2	A'	3153	3106	2.83
3	A'	3098	3051	0.88
4	A'	1648	1623	69.01
5	A'	1340	1320	8.53
6	A'	1231	1213	17.52
7	A'	977	962	17.76
8	A'	618	609	26.07
9	A'	338	333	0.00
10	A"	935	921	37.84
11	A"	881	868	43.08
12	A"	600	591	23.40

Atom	x (Å)	y (Å)
C1	0.452	-1.091
C2	-0.440	-2.074
Br3	0.000	0.721
H4	1.535	-1.251
H5	-0.093	-3.113
H6	-1.518	-1.885

	C1	C2	Br3	H4	H5	H6
C1		1.3276	1.8678	1.0941	2.0942	2.1240
C2	1.3276		2.8300	2.1391	1.0950	1.0946
Br3	1.8678	2.8300		2.4988	3.8354	3.0160
H4	1.0941	2.1391	2.4988		2.4731	3.1175
H5	2.0942	1.0950	3.8354	2.4731		1.8811
H6	2.1240	1.0946	3.0160	3.1175	1.8811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.328	C1	C2	H6	122.240
C2	C1	Br3	123.785	C2	C1	H4	123.803
Br3	C1	H4	112.412	H5	C2	H6	118.432

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

using model chemistry: LSDA/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	-0.153
2	C	-0.279
3	Br	-0.126
4	H	0.195
5	H	0.179
6	H	0.185

	x	y	z	Total
	0.248	-1.337	0.000	1.360
CHELPG
AIM
ESP

	x	y	z
x	5.787	0.655	0.001
y	0.655	9.325	-0.001
z	0.001	-0.001	4.448

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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