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	hartrees
Energy at 0K	-2647.754525
Energy at 298.15K
HF Energy	-2647.344721
Nuclear repulsion energy	144.073236

Atom	x (Å)	y (Å)
C1	0.464	-1.120
C2	-0.446	-2.088
Br3	0.000	0.730
H4	1.529	-1.286
H5	-0.131	-3.121
H6	-1.506	-1.888

	C1	C2	Br3	H4	H5	H6
C1		1.3294	1.9068	1.0777	2.0881	2.1152
C2	1.3294		2.8530	2.1323	1.0803	1.0789
Br3	1.9068	2.8530		2.5298	3.8532	3.0199
H4	1.0777	2.1323	2.5298		2.4746	3.0948
H5	2.0881	1.0803	3.8532	2.4746		1.8480
H6	2.1152	1.0789	3.0199	3.0948	1.8480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.765	C1	C2	H6	122.526
C2	C1	Br3	122.670	C2	C1	H4	124.375
Br3	C1	H4	112.955	H5	C2	H6	117.709

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

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

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