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	hartrees
Energy at 0K	-549.270686
Energy at 298.15K	-549.272728
HF Energy	-548.356266
Nuclear repulsion energy	338.534765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2099	1943	229.42
2	A'	1490	1379	107.24
3	A'	1399	1295	321.69
4	A'	1215	1125	302.94
5	A'	868	803	5.76
6	A'	728	674	58.75
7	A'	625	579	2.08
8	A'	448	415	2.94
9	A'	408	378	0.09
10	A'	238	220	4.28
11	A"	1347	1247	290.64
12	A"	816	756	19.17
13	A"	539	499	11.58
14	A"	250	231	7.43
15	A"	51	47	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.075	0.578	0.000
C2	-0.302	-0.898	0.000
O3	-1.389	-1.337	0.000
F4	-1.007	1.329	0.000
F5	0.798	0.851	1.078
F6	0.798	0.851	-1.078
F7	0.798	-1.631	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5237	2.4114	1.3168	1.3261	1.3261	2.3241
C2	1.5237		1.1725	2.3355	2.3306	2.3306	1.3219
O3	2.4114	1.1725		2.6936	3.2764	3.2764	2.2068
F4	1.3168	2.3355	2.6936		2.1555	2.1555	3.4663
F5	1.3261	2.3306	3.2764	2.1555		2.1561	2.7059
F6	1.3261	2.3306	3.2764	2.1555	2.1561		2.7059
F7	2.3241	1.3219	2.2068	3.4663	2.7059	2.7059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.363	C1	C2	F7	109.314
C2	C1	F4	110.400	C2	C1	F5	109.535
C2	C1	F6	109.535	O3	C2	F7	124.324
F4	C1	F5	109.286	F4	C1	F6	109.286
F5	C1	F6	108.773

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

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

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