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	hartrees
Energy at 0K	-2647.736525
Energy at 298.15K	-2647.742054
HF Energy	-2647.338484
Nuclear repulsion energy	143.537665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3126	4.04
2	A'	3257	3101	4.49
3	A'	3190	3038	0.68
4	A'	1690	1609	29.44
5	A'	1440	1372	8.99
6	A'	1308	1246	28.52
7	A'	1046	996	7.82
8	A'	608	579	20.29
9	A'	352	335	0.12
10	A"	977	930	44.45
11	A"	924	880	19.37
12	A"	595	567	11.54

Atom	x (Å)	y (Å)
C1	0.466	-1.123
C2	-0.448	-2.096
Br3	0.000	0.733
H4	1.539	-1.289
H5	-0.131	-3.137
H6	-1.517	-1.897

	C1	C2	Br3	H4	H5	H6
C1		1.3349	1.9134	1.0862	2.1007	2.1286
C2	1.3349		2.8639	2.1452	1.0886	1.0872
Br3	1.9134	2.8639		2.5407	3.8721	3.0359
H4	1.0862	2.1452	2.5407		2.4914	3.1164
H5	2.1007	1.0886	3.8721	2.4914		1.8600
H6	2.1286	1.0872	3.0359	3.1164	1.8600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.838	C1	C2	H6	122.675
C2	C1	Br3	122.690	C2	C1	H4	124.453
Br3	C1	H4	112.857	H5	C2	H6	117.487

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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