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	hartrees
Energy at 0K	-26.423712
Energy at 298.15K	-26.429180
Nuclear repulsion energy	31.800881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3162	16.21
2	A'	3235	3132	8.83
3	A'	3155	3056	2.16
4	A'	1650	1597	52.09
5	A'	1403	1359	9.96
6	A'	1262	1222	41.39
7	A'	1009	977	17.83
8	A'	567	549	30.27
9	A'	330	320	0.33
10	A"	969	938	143.62
11	A"	933	903	1.85
12	A"	585	567	26.06

Atom	x (Å)	y (Å)
C1	0.477	-1.155
C2	-0.460	-2.144
Br3	0.000	0.749
H4	1.558	-1.302
H5	-0.127	-3.189
H6	-1.534	-1.943

	C1	C2	Br3	H4	H5	H6
C1		1.3627	1.9636	1.0910	2.1217	2.1598
C2	1.3627		2.9303	2.1874	1.0967	1.0921
Br3	1.9636	2.9303		2.5759	3.9407	3.0991
H4	1.0910	2.1874	2.5759		2.5303	3.1579
H5	2.1217	1.0967	3.9407	2.5303		1.8792
H6	2.1598	1.0921	3.0991	3.1579	1.8792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	118.839	C1	C2	H6	122.856
C2	C1	Br3	122.478	C2	C1	H4	125.752
Br3	C1	H4	111.769	H5	C2	H6	118.305

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

using model chemistry: B3LYP/CEP-31G

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	-0.417
2	C	-0.290
3	Br	0.008
4	H	0.271
5	H	0.182
6	H	0.245

	x	y	z	Total
	0.259	-1.856	0.000	1.874
CHELPG
AIM
ESP

	x	y	z
x	4.136	0.616	0.000
y	0.616	8.670	0.000
z	0.000	0.000	1.853

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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