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	hartrees
Energy at 0K	-910.107716
Energy at 298.15K
HF Energy	-908.607834
Nuclear repulsion energy	395.228229

Atom	x (Å)	y (Å)	z (Å)
C1	0.535	-0.687	0.000
C2	0.076	0.791	0.000
O3	0.822	1.703	0.000
F4	1.852	-0.747	0.000
F5	0.076	-1.308	1.077
F6	0.076	-1.308	-1.077
Cl7	-1.663	0.941	0.000

	C1	C2	O3	F4	F5	F6	Cl7
C1		1.5472	2.4072	1.3179	1.3256	1.3256	2.7358
C2	1.5472		1.1786	2.3488	2.3590	2.3590	1.7461
O3	2.4072	1.1786		2.6577	3.2838	3.2838	2.5997
F4	1.3179	2.3488	2.6577		2.1513	2.1513	3.8995
F5	1.3256	2.3590	3.2838	2.1513		2.1550	3.0406
F6	1.3256	2.3590	3.2838	2.1513	2.1550		3.0406
Cl7	2.7358	1.7461	2.5997	3.8995	3.0406	3.0406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.478	C1	C2	F7	112.201
C2	C1	F4	109.868	C2	C1	F5	110.160
C2	C1	F6	110.160	O3	C2	F7	124.321
F4	C1	F5	108.937	F4	C1	F6	108.937
F5	C1	F6	108.745

All results from a given calculation for CF₃COF (trifluoroacetyl fluoride)

using model chemistry: CCD/aug-cc-pVTZ

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 CF3COF (trifluoroacetyl fluoride)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CF₃COF (trifluoroacetyl fluoride)