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	hartrees
Energy at 0K	-550.092765
Energy at 298.15K
HF Energy	-548.568753
Nuclear repulsion energy	337.465377

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.584	0.000
C2	-0.302	-0.906	0.000
O3	-1.391	-1.349	0.000
F4	-1.008	1.330	0.000
F5	0.798	0.863	1.078
F6	0.798	0.863	-1.078
F7	0.798	-1.643	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5371	2.4267	1.3167	1.3268	1.3268	2.3404
C2	1.5371		1.1757	2.3447	2.3457	2.3457	1.3242
O3	2.4267	1.1757		2.7058	3.2936	3.2936	2.2092
F4	1.3167	2.3447	2.7058		2.1545	2.1545	3.4784
F5	1.3268	2.3457	3.2936	2.1545		2.1559	2.7280
F6	1.3268	2.3457	3.2936	2.1545	2.1559		2.7280
F7	2.3404	1.3242	2.2092	3.4784	2.7280	2.7280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.382	C1	C2	F7	109.535
C2	C1	F4	110.252	C2	C1	F5	109.765
C2	C1	F6	109.765	O3	C2	F7	124.083
F4	C1	F5	109.181	F4	C1	F6	109.181
F5	C1	F6	108.670

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

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

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