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	hartrees
Energy at 0K	-550.163360
Energy at 298.15K	-550.165235
HF Energy	-548.564745
Nuclear repulsion energy	335.178108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1878	1820
2	A'	1350	1309
3	A'	1270	1231
4	A'	1102	1068
5	A'	802	777
6	A'	686	665
7	A'	593	575
8	A'	424	411
9	A'	385	373
10	A'	227	220
11	A"	1219	1181
12	A"	763	740
13	A"	518	502
14	A"	240	233
15	A"	46	44

Atom	x (Å)	y (Å)	z (Å)
C1	0.079	0.584	0.000
C2	-0.309	-0.906	0.000
O3	-1.409	-1.356	0.000
F4	-1.011	1.340	0.000
F5	0.806	0.865	1.085
F6	0.806	0.865	-1.085
F7	0.806	-1.650	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5406	2.4450	1.3262	1.3359	1.3359	2.3492
C2	1.5406		1.1877	2.3534	2.3576	2.3576	1.3398
O3	2.4450	1.1877		2.7250	3.3185	3.3185	2.2335
F4	1.3262	2.3534	2.7250		2.1687	2.1687	3.4981
F5	1.3359	2.3576	3.3185	2.1687		2.1708	2.7388
F6	1.3359	2.3576	3.3185	2.1687	2.1708		2.7388
F7	2.3492	1.3398	2.2335	3.4981	2.7388	2.7388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.839	C1	C2	F7	109.094
C2	C1	F4	110.130	C2	C1	F5	109.892
C2	C1	F6	109.892	O3	C2	F7	124.067
F4	C1	F5	109.109	F4	C1	F6	109.109
F5	C1	F6	108.679

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

using model chemistry: MP4/cc-pVTZ

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: MP4/cc-pVTZ

States and conformations

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