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	hartrees
Energy at 0K	-2649.995833
Energy at 298.15K	-2650.001376
Nuclear repulsion energy	144.944272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	3139	2.01
2	A'	3247	3107	4.15
3	A'	3182	3044	0.02
4	A'	1685	1612	58.03
5	A'	1403	1343	9.69
6	A'	1286	1230	23.43
7	A'	1019	974	14.20
8	A'	617	590	27.47
9	A'	344	329	0.00
10	A"	980	938	41.11
11	A"	938	897	34.59
12	A"	613	586	20.35

Atom	x (Å)	y (Å)
C1	0.452	-1.101
C2	-0.439	-2.081
Br3	0.000	0.725
H4	1.523	-1.259
H5	-0.096	-3.110
H6	-1.507	-1.898

	C1	C2	Br3	H4	H5	H6
C1		1.3252	1.8803	1.0825	2.0831	2.1150
C2	1.3252		2.8400	2.1272	1.0847	1.0835
Br3	1.8803	2.8400		2.5010	3.8360	3.0243
H4	1.0825	2.1272	2.5010		2.4590	3.0963
H5	2.0831	1.0847	3.8360	2.4590		1.8604
H6	2.1150	1.0835	3.0243	3.0963	1.8604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.303	C1	C2	H6	122.500
C2	C1	Br3	123.827	C2	C1	H4	123.827
Br3	C1	H4	112.347	H5	C2	H6	118.197

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

using model chemistry: B1B95/6-31+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	-0.232
3	Br	-0.143
4	H	0.181
5	H	0.162
6	H	0.168

	x	y	z	Total
	0.244	-1.468	0.000	1.488
CHELPG
AIM
ESP

	x	y	z
x	5.611	0.663	0.000
y	0.663	9.054	0.001
z	0.000	0.001	4.302

<r²>	92.086
(<r²>)^1/2	9.596

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

using model chemistry: B1B95/6-31+G**

States and conformations

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