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	hartrees
Energy at 0K	-549.573845
Energy at 298.15K	-549.575751
HF Energy	-548.381621
Nuclear repulsion energy	334.945246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1929	1833	165.20
2	A'	1391	1322	99.46
3	A'	1296	1232	329.15
4	A'	1121	1065	292.19
5	A'	811	771	7.50
6	A'	692	658	45.65
7	A'	600	570	1.94
8	A'	428	407	2.21
9	A'	392	372	0.06
10	A'	228	217	3.93
11	A"	1245	1183	304.79
12	A"	776	737	13.77
13	A"	522	496	8.38
14	A"	240	228	5.74
15	A"	46	44	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.078	0.582	0.000
C2	-0.309	-0.904	0.000
O3	-1.412	-1.350	0.000
F4	-1.014	1.340	0.000
F5	0.808	0.862	1.088
F6	0.808	0.862	-1.088
F7	0.808	-1.649	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5351	2.4398	1.3296	1.3389	1.3389	2.3466
C2	1.5351		1.1898	2.3515	2.3549	2.3549	1.3424
O3	2.4398	1.1898		2.7190	3.3166	3.3166	2.2395
F4	1.3296	2.3515	2.7190		2.1747	2.1747	3.4998
F5	1.3389	2.3549	3.3166	2.1747		2.1750	2.7356
F6	1.3389	2.3549	3.3166	2.1747	2.1750		2.7356
F7	2.3466	1.3424	2.2395	3.4998	2.7356	2.7356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.654	C1	C2	F7	109.091
C2	C1	F4	110.134	C2	C1	F5	109.855
C2	C1	F6	109.855	O3	C2	F7	124.255
F4	C1	F5	109.169	F4	C1	F6	109.169
F5	C1	F6	108.630

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

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