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	hartrees
Energy at 0K	-2650.270336
Energy at 298.15K	-2650.275878
HF Energy	-2649.848034
Nuclear repulsion energy	143.800666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	3167	1.03
2	A'	3252	3119	4.35
3	A'	3189	3058	0.04
4	A'	1637	1569	44.72
5	A'	1402	1345	10.70
6	A'	1271	1219	23.14
7	A'	1015	973	7.65
8	A'	627	602	20.43
9	A'	348	334	0.03
10	A"	961	922	43.76
11	A"	913	875	16.90
12	A"	591	567	16.31

Atom	x (Å)	y (Å)
C1	0.465	-1.108
C2	-0.450	-2.093
Br3	0.000	0.729
H4	1.543	-1.279
H5	-0.111	-3.132
H6	-1.522	-1.888

	C1	C2	Br3	H4	H5	H6
C1		1.3450	1.8944	1.0918	2.1047	2.1349
C2	1.3450		2.8575	2.1535	1.0930	1.0915
Br3	1.8944	2.8575		2.5323	3.8623	3.0268
H4	1.0918	2.1535	2.5323		2.4840	3.1254
H5	2.1047	1.0930	3.8623	2.4840		1.8818
H6	2.1349	1.0915	3.0268	3.1254	1.8818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.014	C1	C2	H6	122.035
C2	C1	Br3	122.897	C2	C1	H4	123.865
Br3	C1	H4	113.238	H5	C2	H6	118.951

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVDZ

States and conformations

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