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	hartrees
Energy at 0K	-176.324786
Energy at 298.15K
HF Energy	-175.726937
Nuclear repulsion energy	55.702654

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.094
C2	0.000	0.000	-1.287
F3	0.000	0.000	1.182
H4	0.000	0.000	-2.347

	C1	C2	F3	H4
C1		1.1928	1.2757	2.2523
C2	1.1928		2.4685	1.0595
F3	1.2757	2.4685		3.5281
H4	2.2523	1.0595	3.5281

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: CCSD/aug-cc-pVQZ

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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