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	hartrees
Energy at 0K	-91.350021
Energy at 298.15K	-91.355509
Nuclear repulsion energy	50.676288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	3155	10.31
2	A'	3255	3129	5.20
3	A'	3164	3042	0.07
4	A'	1647	1584	60.79
5	A'	1420	1365	11.17
6	A'	1280	1230	40.76
7	A'	1028	989	18.67
8	A'	562	541	28.85
9	A'	336	323	0.58
10	A"	986	948	126.84
11	A"	961	924	0.89
12	A"	591	568	26.82

Atom	x (Å)	y (Å)
C1	0.467	-1.155
C2	-0.450	-2.133
Br3	0.000	0.747
H4	1.542	-1.303
H5	-0.124	-3.172
H6	-1.519	-1.940

	C1	C2	Br3	H4	H5	H6
C1		1.3405	1.9587	1.0846	2.1013	2.1354
C2	1.3405		2.9145	2.1578	1.0890	1.0856
Br3	1.9587	2.9145		2.5647	3.9205	3.0867
H4	1.0846	2.1578	2.5647		2.5034	3.1260
H5	2.1013	1.0890	3.9205	2.5034		1.8604
H6	2.1354	1.0856	3.0867	3.1260	1.8604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.385	C1	C2	H6	122.981
C2	C1	Br3	123.019	C2	C1	H4	125.366
Br3	C1	H4	111.616	H5	C2	H6	117.634

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

using model chemistry: B3LYP/SDD

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	-0.312
2	C	-0.394
3	Br	-0.004
4	H	0.249
5	H	0.225
6	H	0.237

	x	y	z	Total
	0.242	-1.833	0.000	1.849
CHELPG
AIM
ESP

	x	y	z
x	3.926	0.428	0.000
y	0.428	8.578	0.000
z	0.000	0.000	1.764

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/SDD

States and conformations

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