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	hartrees
Energy at 0K	-2647.749386
Energy at 298.15K	-2647.754886
HF Energy	-2647.338032
Nuclear repulsion energy	143.286131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3266	3133
2	A'	3237	3105
3	A'	3171	3042
4	A'	1659	1592
5	A'	1428	1370
6	A'	1298	1245
7	A'	1037	995
8	A'	602	578
9	A'	348	334
10	A"	959	920
11	A"	895	859
12	A"	584	560

Atom	x (Å)	y (Å)
C1	0.470	-1.123
C2	-0.451	-2.093
Br3	0.000	0.731
H4	1.544	-1.291
H5	-0.138	-3.136
H6	-1.518	-1.882

	C1	C2	Br3	H4	H5	H6
C1		1.3381	1.9127	1.0867	2.1036	2.1287
C2	1.3381		2.8599	2.1503	1.0894	1.0877
Br3	1.9127	2.8599		2.5441	3.8701	3.0224
H4	1.0867	2.1503	2.5441		2.4971	3.1188
H5	2.1036	1.0894	3.8701	2.4971		1.8648
H6	2.1287	1.0877	3.0224	3.1188	1.8648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.777	C1	C2	H6	122.356
C2	C1	Br3	122.237	C2	C1	H4	124.628
Br3	C1	H4	113.135	H5	C2	H6	117.867

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

using model chemistry: QCISD(T)/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(T)/6-31G*

States and conformations

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