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	hartrees
Energy at 0K	-899.119521
Energy at 298.15K
HF Energy	-899.024040
Nuclear repulsion energy	374.562862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	140	140	1.51
2	A"	1335	1335	104.03
3	A"	631	631	0.22
4	A'	1870	1870	82.39
5	A'	1357	1357	69.04
6	A'	1150	1150	68.99
7	A'	922	922	164.61
8	A'	691	691	89.59
9	A'	525	525	8.38
10	A'	481	481	13.66
11	A'	357	357	0.11
12	A'	281	281	2.87
13	A"	445	445	5.42
14	A"	198	198	1.74
15	A"	7	7	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.727	-0.579	0.000
C2	-0.088	0.851	0.000
O3	0.392	1.987	0.000
F4	2.091	-0.311	0.000
F5	0.392	-1.309	1.134
F6	0.392	-1.309	-1.134
Cl7	-1.932	0.519	0.000

	C1	C2	O3	F4	F5	F6	Cl7
C1		1.6457	2.5880	1.3906	1.3897	1.3897	2.8769
C2	1.6457		1.2336	2.4697	2.4866	2.4866	1.8742
O3	2.5880	1.2336		2.8583	3.4861	3.4861	2.7496
F4	1.3906	2.4697	2.8583		2.2734	2.2734	4.1085
F5	1.3897	2.4866	3.4861	2.2734		2.2685	3.1676
F6	1.3897	2.4866	3.4861	2.2734	2.2685		3.1676
Cl7	2.8769	1.8742	2.7496	4.1085	3.1676	3.1676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.425	C1	C2	F7	109.466
C2	C1	F4	108.568	C2	C1	F5	109.723
C2	C1	F6	109.723	O3	C2	F7	123.108
F4	C1	F5	109.703	F4	C1	F6	109.703
F5	C1	F6	109.406

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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/STO-3G

States and conformations

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