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	hartrees
Energy at 0K	-549.498237
Energy at 298.15K	-549.500062
HF Energy	-548.350538
Nuclear repulsion energy	334.341849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1946	1872
2	A'	1396	1343
3	A'	1317	1267
4	A'	1137	1094
5	A'	812	781
6	A'	683	657
7	A'	591	569
8	A'	422	406
9	A'	387	372
10	A'	225	216
11	A"	1267	1219
12	A"	752	724
13	A"	509	489
14	A"	234	225
15	A"	46	45

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.582	0.000
C2	-0.310	-0.901	0.000
O3	-1.416	-1.347	0.000
F4	-1.016	1.347	0.000
F5	0.810	0.856	1.092
F6	0.810	0.856	-1.092
F7	0.810	-1.648	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5328	2.4389	1.3348	1.3435	1.3435	2.3463
C2	1.5328		1.1918	2.3564	2.3529	2.3529	1.3461
O3	2.4389	1.1918		2.7232	3.3164	3.3164	2.2459
F4	1.3348	2.3564	2.7232		2.1839	2.1839	3.5073
F5	1.3435	2.3529	3.3164	2.1839		2.1847	2.7312
F6	1.3435	2.3529	3.3164	2.1839	2.1847		2.7312
F7	2.3463	1.3461	2.2459	3.5073	2.7312	2.7312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.607	C1	C2	F7	109.009
C2	C1	F4	110.326	C2	C1	F5	109.597
C2	C1	F6	109.597	O3	C2	F7	124.384
F4	C1	F5	109.254	F4	C1	F6	109.254
F5	C1	F6	108.788

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

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

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