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	hartrees
Energy at 0K	-549.789188
Energy at 298.15K	-549.791117
HF Energy	-548.388508
Nuclear repulsion energy	337.439886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1934	1827	159.75
2	A'	1396	1318	84.37
3	A'	1316	1243	279.57
4	A'	1145	1082	237.32
5	A'	828	782	5.11
6	A'	698	659	45.57
7	A'	604	570	1.62
8	A'	431	407	1.81
9	A'	392	370	0.08
10	A'	226	213	3.21
11	A"	1260	1190	246.13
12	A"	781	737	12.46
13	A"	524	495	7.21
14	A"	239	226	4.93
15	A"	54	51	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.582	0.000
C2	-0.308	-0.901	0.000
O3	-1.405	-1.348	0.000
F4	-1.005	1.334	0.000
F5	0.802	0.852	1.079
F6	0.802	0.852	-1.079
F7	0.802	-1.626	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5324	2.4337	1.3175	1.3279	1.3279	2.3244
C2	1.5324		1.1840	2.3407	2.3391	2.3391	1.3266
O3	2.4337	1.1840		2.7117	3.2980	3.2980	2.2245
F4	1.3175	2.3407	2.7117		2.1594	2.1594	3.4681
F5	1.3279	2.3391	3.2980	2.1594		2.1586	2.7030
F6	1.3279	2.3391	3.2980	2.1594	2.1586		2.7030
F7	2.3244	1.3266	2.2245	3.4681	2.7030	2.7030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.778	C1	C2	F7	108.566
C2	C1	F4	110.203	C2	C1	F5	109.514
C2	C1	F6	109.514	O3	C2	F7	124.656
F4	C1	F5	109.426	F4	C1	F6	109.426
F5	C1	F6	108.734

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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