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	hartrees
Energy at 0K	-909.792672
Energy at 298.15K	-909.794262
HF Energy	-908.528772
Nuclear repulsion energy	392.599539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1856	1787
2	A'	1309	1261
3	A'	1282	1234
4	A'	943	908
5	A'	752	724
6	A'	589	567
7	A'	519	500
8	A'	404	389
9	A'	341	329
10	A'	199	192
11	A"	1245	1199
12	A"	705	679
13	A"	521	502
14	A"	243	234
15	A"	48	46

Atom	x (Å)	y (Å)	z (Å)
C1	0.539	-0.690	0.000
C2	0.077	0.792	0.000
O3	0.830	1.712	0.000
F4	1.865	-0.744	0.000
F5	0.077	-1.315	1.085
F6	0.077	-1.315	-1.085
Cl7	-1.678	0.945	0.000

	C1	C2	O3	F4	F5	F6	Cl7
C1		1.5515	2.4195	1.3278	1.3348	1.3348	2.7538
C2	1.5515		1.1890	2.3570	2.3696	2.3696	1.7617
O3	2.4195	1.1890		2.6657	3.3026	3.3026	2.6224
F4	1.3278	2.3570	2.6657		2.1681	2.1681	3.9249
F5	1.3348	2.3696	3.3026	2.1681		2.1707	3.0601
F6	1.3348	2.3696	3.3026	2.1681	2.1707		3.0601
Cl7	2.7538	1.7617	2.6224	3.9249	3.0601	3.0601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.436	C1	C2	F7	112.286
C2	C1	F4	109.651	C2	C1	F5	110.147
C2	C1	F6	110.147	O3	C2	F7	124.278
F4	C1	F5	109.032	F4	C1	F6	109.032
F5	C1	F6	108.804

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

using model chemistry: QCISD(T)/6-311G*

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: QCISD(T)/6-311G*

States and conformations

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