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	hartrees
Energy at 0K	-550.567168
Energy at 298.15K	-550.560138
HF Energy	-548.357351
Nuclear repulsion energy	340.826274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2176	2050	282.07
2	A'	1537	1449	116.56
3	A'	1447	1364	356.37
4	A'	1256	1184	344.76
5	A'	897	845	5.74
6	A'	760	716	66.94
7	A'	648	610	2.31
8	A'	467	440	3.33
9	A'	420	396	0.17
10	A'	246	232	4.85
11	A"	1393	1313	311.35
12	A"	855	806	26.90
13	A"	562	529	13.74
14	A"	261	246	8.87
15	A"	53	50	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.579	0.000
C2	-0.312	-0.898	0.000
O3	-1.417	-1.345	0.000
F4	-1.013	1.345	0.000
F5	0.810	0.852	1.091
F6	0.810	0.852	-1.091
F7	0.810	-1.640	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5269	2.4363	1.3332	1.3424	1.3424	2.3363
C2	1.5269		1.1928	2.3504	2.3470	2.3470	1.3446
O3	2.4363	1.1928		2.7207	3.3131	3.3131	2.2464
F4	1.3332	2.3504	2.7207		2.1815	2.1815	3.4979
F5	1.3424	2.3470	3.3131	2.1815		2.1827	2.7199
F6	1.3424	2.3470	3.3131	2.1815	2.1827		2.7199
F7	2.3363	1.3446	2.2464	3.4979	2.7199	2.7199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.152	C1	C2	F7	109.678
C2	C1	F4	110.463	C2	C1	F5	109.571
C2	C1	F6	109.571	O3	C2	F7	124.169
F4	C1	F5	109.252	F4	C1	F6	109.252
F5	C1	F6	108.704

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

using model chemistry: G3

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: G3

States and conformations

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