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	hartrees
Energy at 0K	-549.834942
Energy at 298.15K	-549.836864
HF Energy	-548.561729
Nuclear repulsion energy	335.350284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1909	1810	180.17
2	A'	1356	1286	98.57
3	A'	1274	1208	334.86
4	A'	1111	1053	292.12
5	A'	815	772	8.32
6	A'	700	663	45.34
7	A'	604	572	1.86
8	A'	432	409	2.25
9	A'	390	369	0.08
10	A'	233	221	3.82
11	A"	1220	1156	314.13
12	A"	768	728	15.64
13	A"	528	500	8.80
14	A"	244	231	6.69
15	A"	45	43	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.079	0.584	0.000
C2	-0.307	-0.909	0.000
O3	-1.404	-1.352	0.000
F4	-1.012	1.336	0.000
F5	0.804	0.869	1.085
F6	0.804	0.869	-1.085
F7	0.804	-1.654	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5416	2.4386	1.3253	1.3357	1.3357	2.3525
C2	1.5416		1.1837	2.3537	2.3601	2.3601	1.3374
O3	2.4386	1.1837		2.7172	3.3144	3.3144	2.2285
F4	1.3253	2.3537	2.7172		2.1665	2.1665	3.4988
F5	1.3357	2.3601	3.3144	2.1665		2.1698	2.7462
F6	1.3357	2.3601	3.3144	2.1665	2.1698		2.7462
F7	2.3525	1.3374	2.2285	3.4988	2.7462	2.7462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.470	C1	C2	F7	109.391
C2	C1	F4	110.133	C2	C1	F5	110.013
C2	C1	F6	110.013	O3	C2	F7	124.138
F4	C1	F5	109.010	F4	C1	F6	109.010
F5	C1	F6	108.630

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

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

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