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	hartrees
Energy at 0K	-546.149434
Energy at 298.15K	-546.151166
HF Energy	-545.351502
Nuclear repulsion energy	329.265912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1790	1709	98.02
2	A'	1314	1255	248.24
3	A'	1297	1239	37.95
4	A'	1126	1075	227.39
5	A'	771	736	2.11
6	A'	661	631	48.13
7	A'	574	548	4.20
8	A'	413	395	3.87
9	A'	375	358	0.15
10	A'	211	202	5.46
11	A"	1275	1217	219.12
12	A"	742	708	6.09
13	A"	495	472	13.05
14	A"	227	217	6.63
15	A"	39	38	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.080	0.579	0.000
C2	-0.321	-0.895	0.000
O3	-1.438	-1.367	0.000
F4	-1.049	1.348	0.000
F5	0.829	0.867	1.111
F6	0.829	0.867	-1.111
F7	0.829	-1.657	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5273	2.4677	1.3657	1.3712	1.3712	2.3579
C2	1.5273		1.2130	2.3581	2.3799	2.3799	1.3793
O3	2.4677	1.2130		2.7424	3.3716	3.3716	2.2858
F4	1.3657	2.3581	2.7424		2.2345	2.2345	3.5433
F5	1.3712	2.3799	3.3716	2.2345		2.2230	2.7582
F6	1.3712	2.3799	3.3716	2.2345	2.2230		2.7582
F7	2.3579	1.3793	2.2858	3.5433	2.7582	2.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.090	C1	C2	F7	108.322
C2	C1	F4	109.067	C2	C1	F5	110.268
C2	C1	F6	110.268	O3	C2	F7	123.588
F4	C1	F5	109.455	F4	C1	F6	109.455
F5	C1	F6	108.310

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

using model chemistry: MP2=FULL/3-21G

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=FULL/3-21G

States and conformations

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