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	hartrees
Energy at 0K	-905.993404
Energy at 298.15K
HF Energy	-905.716433
Nuclear repulsion energy	389.095933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1767	1767	185.05
2	A'	1302	1302	144.10
3	A'	1225	1225	134.62
4	A'	886	886	214.17
5	A'	701	701	79.07
6	A'	564	564	10.19
7	A'	481	481	25.61
8	A'	387	387	0.75
9	A'	328	328	3.71
10	A'	196	196	3.98
11	A"	1267	1267	212.82
12	A"	703	703	0.92
13	A"	489	489	11.56
14	A"	224	224	6.19
15	A"	36	36	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.552	-0.657	0.000
C2	0.082	0.804	0.000
O3	0.803	1.774	0.000
F4	1.914	-0.686	0.000
F5	0.082	-1.302	1.106
F6	0.082	-1.302	-1.106
Cl7	-1.701	0.855	0.000

	C1	C2	O3	F4	F5	F6	Cl7
C1		1.5344	2.4440	1.3620	1.3645	1.3645	2.7133
C2	1.5344		1.2094	2.3612	2.3788	2.3788	1.7836
O3	2.4440	1.2094		2.6993	3.3480	3.3480	2.6678
F4	1.3620	2.3612	2.6993		2.2273	2.2273	3.9295
F5	1.3645	2.3788	3.3480	2.2273		2.2124	3.0089
F6	1.3645	2.3788	3.3480	2.2273	2.2124		3.0089
Cl7	2.7133	1.7836	2.6678	3.9295	3.0089	3.0089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.519	C1	C2	F7	109.494
C2	C1	F4	109.081	C2	C1	F5	110.149
C2	C1	F6	110.149	O3	C2	F7	124.987
F4	C1	F5	109.558	F4	C1	F6	109.558
F5	C1	F6	108.334

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G*

States and conformations

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