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	hartrees
Energy at 0K	-550.147798
Energy at 298.15K	-550.149726
HF Energy	-548.566857
Nuclear repulsion energy	336.175788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1933	1884
2	A'	1374	1340
3	A'	1297	1264
4	A'	1131	1102
5	A'	818	798
6	A'	699	682
7	A'	601	585
8	A'	430	419
9	A'	389	379
10	A'	229	223
11	A"	1245	1214
12	A"	774	754
13	A"	524	511
14	A"	243	237
15	A"	47	46

Atom	x (Å)	y (Å)	z (Å)
C1	0.078	0.585	0.000
C2	-0.305	-0.907	0.000
O3	-1.399	-1.352	0.000
F4	-1.011	1.335	0.000
F5	0.802	0.865	1.082
F6	0.802	0.865	-1.082
F7	0.802	-1.648	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5402	2.4361	1.3221	1.3318	1.3318	2.3474
C2	1.5402		1.1816	2.3508	2.3529	2.3529	1.3321
O3	2.4361	1.1816		2.7156	3.3065	3.3065	2.2213
F4	1.3221	2.3508	2.7156		2.1628	2.1628	3.4908
F5	1.3318	2.3529	3.3065	2.1628		2.1640	2.7360
F6	1.3318	2.3529	3.3065	2.1628	2.1640		2.7360
F7	2.3474	1.3321	2.2213	3.4908	2.7360	2.7360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.523	C1	C2	F7	109.406
C2	C1	F4	110.197	C2	C1	F5	109.806
C2	C1	F6	109.806	O3	C2	F7	124.071
F4	C1	F5	109.165	F4	C1	F6	109.165
F5	C1	F6	108.673

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

using model chemistry: CCSD(T)/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(T)/cc-pVTZ

States and conformations

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