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	hartrees
Energy at 0K	-213.478295
Energy at 298.15K
HF Energy	-212.842677
Nuclear repulsion energy	67.246441

Atom	x (Å)	y (Å)
C1	0.000	0.398
O2	1.152	0.127
F3	-0.973	-0.532
H4	-0.457	1.387

	C1	O2	F3	H4
C1		1.1831	1.3462	1.0889
O2	1.1831		2.2243	2.0433
F3	1.3462	2.2243		1.9869
H4	1.0889	2.0433	1.9869

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	123.011		O2	C1	H4	128.091
F3	C1	H4	108.899

All results from a given calculation for HFCO (formyl fluoride)

using model chemistry: MP2/Def2TZVPP

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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