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	hartrees
Energy at 0K	-2621.303428
Energy at 298.15K	-2621.308928
HF Energy	-2621.167440
Nuclear repulsion energy	143.282633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3616	3215	0.46
2	A'	3501	3112	1.66
3	A'	3457	3073	15.01
4	A'	1764	1568	14.24
5	A'	1555	1383	18.81
6	A'	1414	1257	15.10
7	A'	1123	998	4.13
8	A'	716	637	9.15
9	A'	364	324	0.44
10	A"	1101	979	9.83
11	A"	975	867	11.95
12	A"	627	557	1.04

Atom	x (Å)	y (Å)
C1	0.459	-1.103
C2	-0.443	-2.108
Br3	0.000	0.733
H4	1.541	-1.316
H5	-0.108	-3.154
H6	-1.526	-1.927

	C1	C2	Br3	H4	H5	H6
C1		1.3498	1.8928	1.1030	2.1279	2.1491
C2	1.3498		2.8751	2.1363	1.0987	1.0985
Br3	1.8928	2.8751		2.5636	3.8888	3.0666
H4	1.1030	2.1363	2.5636		2.4701	3.1278
H5	2.1279	1.0987	3.8888	2.4701		1.8756
H6	2.1491	1.0985	3.0666	3.1278	1.8756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.357	C1	C2	H6	122.425
C2	C1	Br3	124.061	C2	C1	H4	120.816
Br3	C1	H4	115.124	H5	C2	H6	117.219

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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