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	hartrees
Energy at 0K	-550.274429
Energy at 298.15K	-550.267508
HF Energy	-548.341443
Nuclear repulsion energy	341.282272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2178	2178	307.49
2	A'	1525	1525	118.81
3	A'	1437	1437	392.11
4	A'	1244	1244	375.28
5	A'	896	896	6.29
6	A'	767	767	68.52
7	A'	653	653	2.60
8	A'	472	472	3.26
9	A'	420	420	0.17
10	A'	245	245	5.25
11	A"	1380	1380	339.56
12	A"	863	863	30.04
13	A"	571	571	14.28
14	A"	263	263	9.38
15	A"	53	53	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.074	0.581	0.000
C2	-0.296	-0.904	0.000
O3	-1.367	-1.337	0.000
F4	-0.999	1.317	0.000
F5	0.787	0.859	1.065
F6	0.787	0.859	-1.065
F7	0.787	-1.630	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5300	2.3992	1.3013	1.3111	1.3111	2.3231
C2	1.5300		1.1558	2.3298	2.3264	2.3264	1.3037
O3	2.3992	1.1558		2.6801	3.2552	3.2552	2.1738
F4	1.3013	2.3298	2.6801		2.1290	2.1290	3.4462
F5	1.3111	2.3264	3.2552	2.1290		2.1292	2.7070
F6	1.3111	2.3264	3.2552	2.1290	2.1292		2.7070
F7	2.3231	1.3037	2.1738	3.4462	2.7070	2.7070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.012	C1	C2	F7	109.874
C2	C1	F4	110.490	C2	C1	F5	109.701
C2	C1	F6	109.701	O3	C2	F7	124.114
F4	C1	F5	109.167	F4	C1	F6	109.167
F5	C1	F6	108.582

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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