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	hartrees
Energy at 0K	-550.367391
Energy at 298.15K	-550.369213
HF Energy	-549.995778
Nuclear repulsion energy	335.074149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1947	1947	178.65
2	A'	1376	1376	82.69
3	A'	1297	1297	298.87
4	A'	1131	1131	265.09
5	A'	812	812	5.64
6	A'	685	685	46.13
7	A'	591	591	1.66
8	A'	422	422	2.01
9	A'	386	386	0.07
10	A'	225	225	3.62
11	A"	1244	1244	267.61
12	A"	759	759	13.29
13	A"	509	509	7.88
14	A"	233	233	5.62
15	A"	39	39	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.581	0.000
C2	-0.309	-0.902	0.000
O3	-1.409	-1.349	0.000
F4	-1.015	1.341	0.000
F5	0.807	0.858	1.089
F6	0.807	0.858	-1.089
F7	0.807	-1.645	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5323	2.4355	1.3309	1.3405	1.3405	2.3431
C2	1.5323		1.1874	2.3519	2.3514	2.3514	1.3409
O3	2.4355	1.1874		2.7186	3.3116	3.3116	2.2359
F4	1.3309	2.3519	2.7186		2.1780	2.1780	3.4989
F5	1.3405	2.3514	3.3116	2.1780		2.1789	2.7298
F6	1.3405	2.3514	3.3116	2.1780	2.1789		2.7298
F7	2.3431	1.3409	2.2359	3.4989	2.7298	2.7298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.681	C1	C2	F7	109.088
C2	C1	F4	110.259	C2	C1	F5	109.687
C2	C1	F6	109.687	O3	C2	F7	124.231
F4	C1	F5	109.231	F4	C1	F6	109.231
F5	C1	F6	108.720

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G**

States and conformations

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