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	hartrees
Energy at 0K	-91.136169
Energy at 298.15K	-91.141653
Nuclear repulsion energy	50.604987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3154	10.90
2	A'	3255	3128	4.77
3	A'	3164	3041	0.22
4	A'	1648	1584	57.03
5	A'	1421	1366	10.63
6	A'	1283	1233	36.91
7	A'	1031	991	17.08
8	A'	555	533	25.03
9	A'	337	324	0.56
10	A"	987	949	123.15
11	A"	963	926	0.06
12	A"	591	568	25.01

Atom	x (Å)	y (Å)
C1	0.466	-1.160
C2	-0.449	-2.139
Br3	0.000	0.750
H4	1.540	-1.312
H5	-0.122	-3.178
H6	-1.519	-1.950

	C1	C2	Br3	H4	H5	H6
C1		1.3405	1.9656	1.0843	2.1017	2.1364
C2	1.3405		2.9232	2.1541	1.0890	1.0858
Br3	1.9656	2.9232		2.5733	3.9290	3.0975
H4	1.0843	2.1541	2.5733		2.4983	3.1242
H5	2.1017	1.0890	3.9290	2.4983		1.8593
H6	2.1364	1.0858	3.0975	3.1242	1.8593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.426	C1	C2	H6	123.075
C2	C1	Br3	123.191	C2	C1	H4	125.012
Br3	C1	H4	111.797	H5	C2	H6	117.499

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

using model chemistry: B3LYP/LANL2DZ

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	-0.303
2	C	-0.378
3	Br	-0.031
4	H	0.257
5	H	0.221
6	H	0.234

	x	y	z	Total
	0.237	-1.768	0.000	1.784
CHELPG
AIM
ESP

	x	y	z
x	3.848	0.444	0.000
y	0.444	8.341	0.000
z	0.000	0.000	1.600

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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