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	hartrees
Energy at 0K	-2647.749620
Energy at 298.15K
HF Energy	-2647.362533
Nuclear repulsion energy	144.233237

Atom	x (Å)	y (Å)
C1	0.460	-1.108
C2	-0.445	-2.089
Br3	0.000	0.728
H4	1.527	-1.277
H5	-0.108	-3.116
H6	-1.508	-1.894

	C1	C2	Br3	H4	H5	H6
C1		1.3349	1.8928	1.0800	2.0868	2.1190
C2	1.3349		2.8519	2.1331	1.0812	1.0801
Br3	1.8928	2.8519		2.5197	3.8455	3.0247
H4	1.0800	2.1331	2.5197		2.4611	3.0969
H5	2.0868	1.0812	3.8455	2.4611		1.8581
H6	2.1190	1.0801	3.0247	3.0969	1.8581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.102	C1	C2	H6	122.323
C2	C1	Br3	123.222	C2	C1	H4	123.743
Br3	C1	H4	113.035	H5	C2	H6	118.575

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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