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	hartrees
Energy at 0K	-2650.274234
Energy at 298.15K	-2650.279772
HF Energy	-2649.842080
Nuclear repulsion energy	143.468764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3151	2.54
2	A'	3242	3111	5.27
3	A'	3180	3051	0.41
4	A'	1673	1605	31.96
5	A'	1407	1350	8.99
6	A'	1283	1231	24.64
7	A'	1024	982	7.03
8	A'	623	598	18.62
9	A'	347	332	0.04
10	A"	971	932	38.67
11	A"	916	879	16.70
12	A"	590	566	11.91

Atom	x (Å)	y (Å)
C1	0.464	-1.112
C2	-0.449	-2.097
Br3	0.000	0.731
H4	1.545	-1.287
H5	-0.114	-3.141
H6	-1.525	-1.896

	C1	C2	Br3	H4	H5	H6
C1		1.3422	1.9008	1.0945	2.1089	2.1377
C2	1.3422		2.8627	2.1513	1.0964	1.0949
Br3	1.9008	2.8627		2.5413	3.8731	3.0371
H4	1.0945	2.1513	2.5413		2.4872	3.1293
H5	2.1089	1.0964	3.8731	2.4872		1.8818
H6	2.1377	1.0949	3.0371	3.1293	1.8818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.378	C1	C2	H6	122.273
C2	C1	Br3	123.019	C2	C1	H4	123.663
Br3	C1	H4	113.317	H5	C2	H6	118.349

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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