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	hartrees
Energy at 0K	-549.574550
Energy at 298.15K	-549.576476
HF Energy	-548.382578
Nuclear repulsion energy	335.136379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1970	1890	187.64
2	A'	1403	1346	94.60
3	A'	1318	1264	325.15
4	A'	1136	1090	296.50
5	A'	817	784	6.23
6	A'	698	669	49.11
7	A'	601	577	2.13
8	A'	431	413	2.33
9	A'	392	376	0.07
10	A'	228	218	3.99
11	A"	1268	1217	300.14
12	A"	778	747	14.41
13	A"	524	503	9.53
14	A"	242	232	6.18
15	A"	47	45	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.078	0.584	0.000
C2	-0.306	-0.906	0.000
O3	-1.406	-1.351	0.000
F4	-1.015	1.339	0.000
F5	0.806	0.865	1.086
F6	0.806	0.865	-1.086
F7	0.806	-1.652	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5392	2.4378	1.3283	1.3374	1.3374	2.3518
C2	1.5392		1.1855	2.3544	2.3566	2.3566	1.3391
O3	2.4378	1.1855		2.7175	3.3132	3.3132	2.2317
F4	1.3283	2.3544	2.7175		2.1726	2.1726	3.5018
F5	1.3374	2.3566	3.3132	2.1726		2.1726	2.7415
F6	1.3374	2.3566	3.3132	2.1726	2.1726		2.7415
F7	2.3518	1.3391	2.2317	3.5018	2.7415	2.7415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.460	C1	C2	F7	109.396
C2	C1	F4	110.170	C2	C1	F5	109.824
C2	C1	F6	109.824	O3	C2	F7	124.144
F4	C1	F5	109.181	F4	C1	F6	109.181
F5	C1	F6	108.634

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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