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	hartrees
Energy at 0K	-90.550702
Energy at 298.15K	-90.556161
HF Energy	-90.345413
Nuclear repulsion energy	50.149447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3151	14.49
2	A'	3238	3119	8.34
3	A'	3151	3035	2.57
4	A'	1609	1549	37.30
5	A'	1438	1385	16.99
6	A'	1313	1265	28.95
7	A'	1045	1006	10.67
8	A'	561	540	12.35
9	A'	331	319	0.13
10	A"	996	959	83.62
11	A"	887	854	20.77
12	A"	574	553	20.00

Atom	x (Å)	y (Å)
C1	0.467	-1.159
C2	-0.452	-2.163
Br3	0.000	0.756
H4	1.545	-1.333
H5	-0.110	-3.203
H6	-1.529	-1.983

	C1	C2	Br3	H4	H5	H6
C1		1.3612	1.9708	1.0918	2.1241	2.1602
C2	1.3612		2.9534	2.1626	1.0950	1.0924
Br3	1.9708	2.9534		2.5981	3.9603	3.1369
H4	1.0918	2.1626	2.5981		2.4972	3.1425
H5	2.1241	1.0950	3.9603	2.4972		1.8719
H6	2.1602	1.0924	3.1369	3.1425	1.8719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.316	C1	C2	H6	123.003
C2	C1	Br3	123.808	C2	C1	H4	123.300
Br3	C1	H4	112.893	H5	C2	H6	117.681

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

using model chemistry: MP2/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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All results from a given calculation for C2H3Br (vinyl bromide)

using model chemistry: MP2/LANL2DZ

States and conformations

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