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	hartrees
Energy at 0K	-549.522226
Energy at 298.15K	-549.524060
HF Energy	-548.350793
Nuclear repulsion energy	334.566960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1946	1946
2	A'	1395	1395
3	A'	1316	1316
4	A'	1136	1136
5	A'	812	812
6	A'	682	682
7	A'	591	591
8	A'	423	423
9	A'	387	387
10	A'	225	225
11	A"	1267	1267
12	A"	755	755
13	A"	510	510
14	A"	236	236
15	A"	50	50

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.581	0.000
C2	-0.311	-0.901	0.000
O3	-1.416	-1.346	0.000
F4	-1.014	1.347	0.000
F5	0.810	0.854	1.092
F6	0.810	0.854	-1.092
F7	0.810	-1.645	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5315	2.4382	1.3338	1.3426	1.3426	2.3434
C2	1.5315		1.1915	2.3553	2.3507	2.3507	1.3457
O3	2.4382	1.1915		2.7234	3.3146	3.3146	2.2460
F4	1.3338	2.3553	2.7234		2.1824	2.1824	3.5046
F5	1.3426	2.3507	3.3146	2.1824		2.1831	2.7268
F6	1.3426	2.3507	3.3146	2.1824	2.1831		2.7268
F7	2.3434	1.3457	2.2460	3.5046	2.7268	2.7268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.659	C1	C2	F7	108.899
C2	C1	F4	110.377	C2	C1	F5	109.570
C2	C1	F6	109.570	O3	C2	F7	124.442
F4	C1	F5	109.257	F4	C1	F6	109.257
F5	C1	F6	108.783

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

using model chemistry: QCISD(T)=FULL/6-31G*

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: QCISD(T)=FULL/6-31G*

States and conformations

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