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	hartrees
Energy at 0K	-546.166328
Energy at 298.15K	-546.167965
HF Energy	-545.348997
Nuclear repulsion energy	327.812782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1760	1706
2	A'	1294	1255
3	A'	1261	1223
4	A'	1099	1066
5	A'	747	725
6	A'	646	626
7	A'	562	545
8	A'	404	392
9	A'	364	353
10	A'	205	199
11	A"	1257	1219
12	A"	721	699
13	A"	486	471
14	A"	222	215
15	A"	35	34

Atom	x (Å)	y (Å)	z (Å)
C1	0.081	0.583	0.000
C2	-0.324	-0.901	0.000
O3	-1.446	-1.375	0.000
F4	-1.051	1.355	0.000
F5	0.833	0.872	1.115
F6	0.833	0.872	-1.115
F7	0.833	-1.665	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5387	2.4831	1.3701	1.3755	1.3755	2.3707
C2	1.5387		1.2175	2.3703	2.3928	2.3928	1.3864
O3	2.4831	1.2175		2.7583	3.3887	3.3887	2.2968
F4	1.3701	2.3703	2.7583		2.2419	2.2419	3.5594
F5	1.3755	2.3928	3.3887	2.2419		2.2301	2.7712
F6	1.3755	2.3928	3.3887	2.2419	2.2301		2.7712
F7	2.3707	1.3864	2.2968	3.5594	2.7712	2.7712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.175	C1	C2	F7	108.172
C2	C1	F4	109.012	C2	C1	F5	110.263
C2	C1	F6	110.263	O3	C2	F7	123.652
F4	C1	F5	109.482	F4	C1	F6	109.482
F5	C1	F6	108.323

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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