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	hartrees
Energy at 0K	-2650.270380
Energy at 298.15K	-2650.275931
HF Energy	-2649.842269
Nuclear repulsion energy	143.660270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3150	2.36
2	A'	3249	3109	4.81
3	A'	3188	3050	0.27
4	A'	1688	1615	32.63
5	A'	1413	1352	8.59
6	A'	1289	1234	23.48
7	A'	1028	983	6.68
8	A'	630	603	16.89
9	A'	349	334	0.04
10	A"	978	936	37.36
11	A"	926	886	18.90
12	A"	594	568	11.79

Atom	x (Å)	y (Å)
C1	0.463	-1.111
C2	-0.447	-2.094
Br3	0.000	0.730
H4	1.543	-1.287
H5	-0.113	-3.137
H6	-1.524	-1.894

	C1	C2	Br3	H4	H5	H6
C1		1.3397	1.8981	1.0942	2.1068	2.1353
C2	1.3397		2.8588	2.1478	1.0961	1.0946
Br3	1.8981	2.8588		2.5393	3.8689	3.0337
H4	1.0942	2.1478	2.5393		2.4834	3.1261
H5	2.1068	1.0961	3.8689	2.4834		1.8808
H6	2.1353	1.0946	3.0337	3.1261	1.8808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.415	C1	C2	H6	122.278
C2	C1	Br3	123.066	C2	C1	H4	123.562
Br3	C1	H4	113.372	H5	C2	H6	118.307

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

using model chemistry: CCD/cc-pVDZ

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

using model chemistry: CCD/cc-pVDZ

States and conformations

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