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	hartrees
Energy at 0K	-910.666809
Energy at 298.15K
HF Energy	-910.293400
Nuclear repulsion energy	391.629140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1856	1856	263.40
2	A'	1287	1287	90.17
3	A'	1238	1238	250.37
4	A'	933	933	278.43
5	A'	738	738	64.23
6	A'	576	576	8.14
7	A'	511	511	15.43
8	A'	397	397	0.16
9	A'	338	338	2.58
10	A'	197	197	1.71
11	A"	1194	1194	296.28
12	A"	701	701	4.24
13	A"	506	506	8.52
14	A"	240	240	6.19
15	A"	43	43	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.538	-0.686	0.000
C2	0.074	0.793	0.000
O3	0.831	1.715	0.000
F4	1.871	-0.747	0.000
F5	0.074	-1.318	1.092
F6	0.074	-1.318	-1.092
Cl7	-1.676	0.947	0.000

	C1	C2	O3	F4	F5	F6	Cl7
C1		1.5492	2.4183	1.3351	1.3443	1.3443	2.7503
C2	1.5492		1.1928	2.3665	2.3765	2.3765	1.7570
O3	2.4183	1.1928		2.6729	3.3112	3.3112	2.6217
F4	1.3351	2.3665	2.6729		2.1789	2.1789	3.9309
F5	1.3443	2.3765	3.3112	2.1789		2.1838	3.0635
F6	1.3443	2.3765	3.3112	2.1789	2.1838		3.0635
Cl7	2.7503	1.7570	2.6217	3.9309	3.0635	3.0635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.236	C1	C2	F7	112.436
C2	C1	F4	110.047	C2	C1	F5	110.236
C2	C1	F6	110.236	O3	C2	F7	124.328
F4	C1	F5	108.825	F4	C1	F6	108.825
F5	C1	F6	108.633

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

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

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/6-31+G**

States and conformations

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