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	hartrees
Energy at 0K	-549.473575
Energy at 298.15K	-549.475452
HF Energy	-548.351588
Nuclear repulsion energy	334.855928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1973	1858	171.66
2	A'	1413	1330	92.57
3	A'	1330	1252	288.28
4	A'	1150	1083	271.20
5	A'	820	772	5.59
6	A'	690	649	49.94
7	A'	597	562	1.91
8	A'	426	401	2.44
9	A'	391	368	0.08
10	A'	227	214	3.78
11	A"	1281	1206	268.41
12	A"	763	719	13.07
13	A"	513	483	9.61
14	A"	237	223	6.30
15	A"	46	44	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.581	0.000
C2	-0.309	-0.901	0.000
O3	-1.411	-1.347	0.000
F4	-1.015	1.344	0.000
F5	0.808	0.856	1.091
F6	0.808	0.856	-1.091
F7	0.808	-1.646	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5315	2.4353	1.3328	1.3416	1.3416	2.3436
C2	1.5315		1.1887	2.3539	2.3507	2.3507	1.3427
O3	2.4353	1.1887		2.7201	3.3118	3.3118	2.2394
F4	1.3328	2.3539	2.7201		2.1802	2.1802	3.5023
F5	1.3416	2.3507	3.3118	2.1802		2.1812	2.7292
F6	1.3416	2.3507	3.3118	2.1802	2.1812		2.7292
F7	2.3436	1.3427	2.2394	3.5023	2.7292	2.7292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.626	C1	C2	F7	109.071
C2	C1	F4	110.340	C2	C1	F5	109.633
C2	C1	F6	109.633	O3	C2	F7	124.303
F4	C1	F5	109.220	F4	C1	F6	109.220
F5	C1	F6	108.768

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

using model chemistry: QCISD/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/6-31G**

States and conformations

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