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	hartrees
Energy at 0K	-549.547090
Energy at 298.15K	-549.549219
HF Energy	-548.504061
Nuclear repulsion energy	340.209111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2106	1956	259.12
2	A'	1480	1375	114.79
3	A'	1391	1292	361.66
4	A'	1210	1125	335.30
5	A'	876	814	6.61
6	A'	747	694	61.09
7	A'	636	591	2.24
8	A'	458	425	3.02
9	A'	412	383	0.11
10	A'	243	226	4.58
11	A"	1336	1242	325.21
12	A"	837	778	22.89
13	A"	554	515	11.99
14	A"	259	241	7.84
15	A"	53	49	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.075	0.580	0.000
C2	-0.298	-0.902	0.000
O3	-1.376	-1.336	0.000
F4	-1.003	1.319	0.000
F5	0.791	0.857	1.070
F6	0.791	0.857	-1.070
F7	0.791	-1.631	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5283	2.4039	1.3069	1.3168	1.3168	2.3236
C2	1.5283		1.1620	2.3300	2.3294	2.3294	1.3109
O3	2.4039	1.1620		2.6814	3.2639	3.2639	2.1875
F4	1.3069	2.3300	2.6814		2.1392	2.1392	3.4523
F5	1.3168	2.3294	3.2639	2.1392		2.1395	2.7079
F6	1.3168	2.3294	3.2639	2.1392	2.1395		2.7079
F7	2.3236	1.3109	2.1875	3.4523	2.7079	2.7079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.094	C1	C2	F7	109.615
C2	C1	F4	110.282	C2	C1	F5	109.694
C2	C1	F6	109.694	O3	C2	F7	124.291
F4	C1	F5	109.240	F4	C1	F6	109.240
F5	C1	F6	108.663

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

using model chemistry: CID/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: CID/6-311G*

States and conformations

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