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	hartrees
Energy at 0K	-2650.255460
Energy at 298.15K	-2650.261013
HF Energy	-2649.842253
Nuclear repulsion energy	144.093274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3158	0.78
2	A'	3264	3102	4.85
3	A'	3208	3049	0.01
4	A'	1658	1576	38.09
5	A'	1404	1335	8.86
6	A'	1282	1218	21.80
7	A'	1020	970	8.90
8	A'	637	605	18.42
9	A'	349	332	0.03
10	A"	983	934	36.89
11	A"	907	862	22.67
12	A"	599	570	12.45

Atom	x (Å)	y (Å)
C1	0.463	-1.104
C2	-0.448	-2.089
Br3	0.000	0.727
H4	1.541	-1.282
H5	-0.107	-3.128
H6	-1.521	-1.888

	C1	C2	Br3	H4	H5	H6
C1		1.3419	1.8887	1.0927	2.1031	2.1335
C2	1.3419		2.8521	2.1465	1.0935	1.0921
Br3	1.8887	2.8521		2.5320	3.8572	3.0257
H4	1.0927	2.1465	2.5320		2.4748	3.1217
H5	2.1031	1.0935	3.8572	2.4748		1.8812
H6	2.1335	1.0921	3.0257	3.1217	1.8812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.087	C1	C2	H6	122.118
C2	C1	Br3	123.080	C2	C1	H4	123.363
Br3	C1	H4	113.557	H5	C2	H6	118.795

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

using model chemistry: MP2=FULL/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=FULL/cc-pVDZ

States and conformations

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