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	hartrees
Energy at 0K	-2647.748993
Energy at 298.15K
HF Energy	-2647.338068
Nuclear repulsion energy

Atom	x (Å)	y (Å)
C1	0.470	-1.123
C2	-0.451	-2.093
Br3	0.000	0.731
H4	1.543	-1.291
H5	-0.138	-3.136
H6	-1.518	-1.882

	C1	C2	Br3	H4	H5	H6
C1		1.3378	1.9126	1.0866	2.1031	2.1282
C2	1.3378		2.8599	2.1497	1.0891	1.0873
Br3	1.9126	2.8599		2.5442	3.8697	3.0226
H4	1.0866	2.1497	2.5442		2.4961	3.1180
H5	2.1031	1.0891	3.8697	2.4961		1.8642
H6	2.1282	1.0873	3.0226	3.1180	1.8642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.774	C1	C2	H6	122.362
C2	C1	Br3	122.262	C2	C1	H4	124.592
Br3	C1	H4	113.146	H5	C2	H6	117.864

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

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

States and conformations

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