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	hartrees
Energy at 0K	-2683.617956
Energy at 298.15K
HF Energy	-2683.187028
Nuclear repulsion energy	143.834459

Atom	x (Å)	y (Å)
C1	0.377	-1.211
O2	-0.465	-2.042
H3	1.457	-1.375
Br4	0.000	0.714

	C1	O2	H3	Br4
C1		1.1831	1.0928	1.9608
O2	1.1831		2.0350	2.7944
H3	1.0928	2.0350		2.5464
Br4	1.9608	2.7944	2.5464

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.745		O2	C1	Br4	123.549
H3	C1	Br4	109.706

All results from a given calculation for COHBr (Formyl 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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