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	hartrees
Energy at 0K	-909.508707
Energy at 298.15K	-909.510268
HF Energy	-908.385031
Nuclear repulsion energy	392.102508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	199	189
2	A"	1270	1205
3	A"	700	664
4	A'	1862	1766
5	A'	1339	1270
6	A'	1305	1238
7	A'	961	911
8	A'	748	709
9	A'	585	555
10	A'	520	493
11	A'	403	382
12	A'	343	325
13	A"	509	483
14	A"	234	222
15	A"	46	44

Atom	x (Å)	y (Å)	z (Å)
C1	0.537	-0.684	0.000
C2	0.073	0.786	0.000
O3	0.836	1.711	0.000
F4	1.871	-0.737	0.000
F5	0.073	-1.313	1.091
F6	0.073	-1.313	-1.091
Cl7	-1.676	0.939	0.000

	C1	C2	O3	F4	F5	F6	Cl7
C1		1.5420	2.4132	1.3355	1.3428	1.3428	2.7448
C2	1.5420		1.1987	2.3569	2.3664	2.3664	1.7553
O3	2.4132	1.1987		2.6573	3.3042	3.3042	2.6276
F4	1.3355	2.3569	2.6573		2.1817	2.1817	3.9235
F5	1.3428	2.3664	3.3042	2.1817		2.1829	3.0535
F6	1.3428	2.3664	3.3042	2.1817	2.1829		3.0535
Cl7	2.7448	1.7553	2.6276	3.9235	3.0535	3.0535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.921	C1	C2	F7	112.537
C2	C1	F4	109.786	C2	C1	F5	110.040
C2	C1	F6	110.040	O3	C2	F7	124.542
F4	C1	F5	109.101	F4	C1	F6	109.101
F5	C1	F6	108.747

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)