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	hartrees
Energy at 0K	-549.019282
Energy at 298.15K	-549.020718
HF Energy	-548.249874
Nuclear repulsion energy	321.275933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1722	1659	141.96
2	A'	1215	1170	108.07
3	A'	1094	1054	236.31
4	A'	949	914	258.94
5	A'	701	675	10.64
6	A'	598	576	45.96
7	A'	529	509	4.20
8	A'	381	367	5.39
9	A'	353	340	0.03
10	A'	214	206	6.60
11	A"	1062	1023	256.68
12	A"	693	667	17.16
13	A"	448	431	14.31
14	A"	228	220	8.94
15	A"	45	43	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.079	0.579	0.000
C2	-0.344	-0.921	0.000
O3	-1.471	-1.394	0.000
F4	-1.054	1.409	0.000
F5	0.846	0.884	1.142
F6	0.846	0.884	-1.142
F7	0.846	-1.710	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5588	2.5088	1.4040	1.4090	1.4090	2.4140
C2	1.5588		1.2219	2.4355	2.4450	2.4450	1.4274
O3	2.5088	1.2219		2.8332	3.4437	3.4437	2.3381
F4	1.4040	2.4355	2.8332		2.2781	2.2781	3.6515
F5	1.4090	2.4450	3.4437	2.2781		2.2836	2.8337
F6	1.4090	2.4450	3.4437	2.2781	2.2836		2.8337
F7	2.4140	1.4274	2.3381	3.6515	2.8337	2.8337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.496	C1	C2	F7	107.795
C2	C1	F4	110.468	C2	C1	F5	110.842
C2	C1	F6	110.842	O3	C2	F7	123.709
F4	C1	F5	108.162	F4	C1	F6	108.162
F5	C1	F6	108.264

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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