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	hartrees
Energy at 0K	-549.835785
Energy at 298.15K	-549.837759
HF Energy	-548.563804
Nuclear repulsion energy	336.302565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1975	1885	201.38
2	A'	1382	1319	91.86
3	A'	1312	1252	329.36
4	A'	1144	1092	296.89
5	A'	829	792	6.49
6	A'	712	680	50.87
7	A'	610	582	1.99
8	A'	438	418	2.45
9	A'	393	375	0.09
10	A'	234	224	3.88
11	A"	1260	1202	305.01
12	A"	778	743	16.15
13	A"	534	509	10.33
14	A"	247	236	7.20
15	A"	47	45	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.078	0.585	0.000
C2	-0.302	-0.911	0.000
O3	-1.393	-1.350	0.000
F4	-1.012	1.332	0.000
F5	0.800	0.870	1.081
F6	0.800	0.870	-1.081
F7	0.800	-1.654	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5433	2.4313	1.3213	1.3312	1.3312	2.3529
C2	1.5433		1.1767	2.3525	2.3567	2.3567	1.3294
O3	2.4313	1.1767		2.7095	3.3030	3.3030	2.2145
F4	1.3213	2.3525	2.7095		2.1604	2.1604	3.4931
F5	1.3312	2.3567	3.3030	2.1604		2.1629	2.7458
F6	1.3312	2.3567	3.3030	2.1604	2.1629		2.7458
F7	2.3529	1.3294	2.2145	3.4931	2.7458	2.7458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.195	C1	C2	F7	109.754
C2	C1	F4	110.175	C2	C1	F5	109.922
C2	C1	F6	109.922	O3	C2	F7	124.051
F4	C1	F5	109.066	F4	C1	F6	109.066
F5	C1	F6	108.658

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

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

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