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	hartrees
Energy at 0K	-550.080361
Energy at 298.15K	-550.082391
HF Energy	-548.569751
Nuclear repulsion energy	338.208450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2020	1909	207.07
2	A'	1423	1344	90.43
3	A'	1343	1269	317.20
4	A'	1178	1113	281.60
5	A'	847	800	5.63
6	A'	723	683	52.22
7	A'	617	583	1.83
8	A'	442	418	2.21
9	A'	399	377	0.11
10	A'	234	221	3.43
11	A"	1290	1219	281.34
12	A"	800	756	15.95
13	A"	537	508	9.32
14	A"	249	236	6.05
15	A"	50	48	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.584	0.000
C2	-0.299	-0.906	0.000
O3	-1.385	-1.346	0.000
F4	-1.007	1.325	0.000
F5	0.796	0.864	1.076
F6	0.796	0.864	-1.076
F7	0.796	-1.641	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5367	2.4209	1.3135	1.3238	1.3238	2.3381
C2	1.5367		1.1714	2.3413	2.3430	2.3430	1.3189
O3	2.4209	1.1714		2.6981	3.2858	3.2858	2.2008
F4	1.3135	2.3413	2.6981		2.1497	2.1497	3.4715
F5	1.3238	2.3430	3.2858	2.1497		2.1512	2.7261
F6	1.3238	2.3430	3.2858	2.1497	2.1512		2.7261
F7	2.3381	1.3189	2.2008	3.4715	2.7261	2.7261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.218	C1	C2	F7	109.695
C2	C1	F4	110.216	C2	C1	F5	109.761
C2	C1	F6	109.761	O3	C2	F7	124.087
F4	C1	F5	109.196	F4	C1	F6	109.196
F5	C1	F6	108.684

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

using model chemistry: MP3/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: MP3/cc-pVTZ

States and conformations

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