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	hartrees
Energy at 0K	-549.768812
Energy at 298.15K	-549.770736
HF Energy	-548.499001
Nuclear repulsion energy	335.897458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1928	1832	171.28
2	A'	1381	1312	102.65
3	A'	1289	1225	328.31
4	A'	1120	1064	293.83
5	A'	817	777	7.84
6	A'	699	664	46.65
7	A'	602	572	1.79
8	A'	432	410	2.29
9	A'	393	374	0.08
10	A'	233	222	3.98
11	A"	1236	1175	304.37
12	A"	777	738	14.95
13	A"	525	499	8.34
14	A"	245	233	6.10
15	A"	49	46	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.079	0.585	0.000
C2	-0.305	-0.909	0.000
O3	-1.402	-1.346	0.000
F4	-1.013	1.331	0.000
F5	0.803	0.863	1.085
F6	0.803	0.863	-1.085
F7	0.803	-1.644	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5421	2.4339	1.3226	1.3336	1.3336	2.3438
C2	1.5421		1.1817	2.3487	2.3542	2.3542	1.3297
O3	2.4339	1.1817		2.7049	3.3045	3.3045	2.2255
F4	1.3226	2.3487	2.7049		2.1667	2.1667	3.4855
F5	1.3336	2.3542	3.3045	2.1667		2.1702	2.7318
F6	1.3336	2.3542	3.3045	2.1667	2.1702		2.7318
F7	2.3438	1.3297	2.2255	3.4855	2.7318	2.7318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.137	C1	C2	F7	109.176
C2	C1	F4	109.912	C2	C1	F5	109.688
C2	C1	F6	109.688	O3	C2	F7	124.687
F4	C1	F5	109.312	F4	C1	F6	109.312
F5	C1	F6	108.909

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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