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	hartrees
Energy at 0K	-122.683103
Energy at 298.15K	-122.684583
HF Energy	-121.908027
Nuclear repulsion energy	176.456920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1699	1658	131.81
2	A'	1230	1200	106.87
3	A'	1100	1074	240.70
4	A'	951	928	274.32
5	A'	695	679	12.04
6	A'	594	580	44.43
7	A'	525	513	3.41
8	A'	378	369	4.79
9	A'	352	344	0.03
10	A'	215	210	6.04
11	A"	1066	1041	260.38
12	A"	679	663	15.44
13	A"	444	434	12.83
14	A"	228	223	8.47
15	A"	48	47	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.079	0.584	0.000
C2	-0.343	-0.924	0.000
O3	-1.476	-1.397	0.000
F4	-1.056	1.414	0.000
F5	0.848	0.886	1.145
F6	0.848	0.886	-1.145
F7	0.848	-1.717	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5656	2.5187	1.4059	1.4117	1.4117	2.4261
C2	1.5656		1.2280	2.4435	2.4504	2.4504	1.4311
O3	2.5187	1.2280		2.8420	3.4532	3.4532	2.3460
F4	1.4059	2.4435	2.8420		2.2831	2.2831	3.6641
F5	1.4117	2.4504	3.4532	2.2831		2.2900	2.8440
F6	1.4117	2.4504	3.4532	2.2831	2.2900		2.8440
F7	2.4261	1.4311	2.3460	3.6641	2.8440	2.8440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.326	C1	C2	F7	108.025
C2	C1	F4	110.519	C2	C1	F5	110.670
C2	C1	F6	110.670	O3	C2	F7	123.649
F4	C1	F5	108.247	F4	C1	F6	108.247
F5	C1	F6	108.402

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

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

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