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	hartrees
Energy at 0K	-549.998411
Energy at 298.15K	-550.000316
HF Energy	-548.562106
Nuclear repulsion energy	335.316033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1927	1842
2	A'	1352	1293
3	A'	1284	1227
4	A'	1117	1068
5	A'	813	777
6	A'	699	668
7	A'	601	574
8	A'	431	412
9	A'	387	370
10	A'	230	220
11	A"	1230	1176
12	A"	761	728
13	A"	525	502
14	A"	242	231
15	A"	44	42

Atom	x (Å)	y (Å)	z (Å)
C1	0.078	0.586	0.000
C2	-0.305	-0.911	0.000
O3	-1.401	-1.353	0.000
F4	-1.013	1.337	0.000
F5	0.803	0.870	1.085
F6	0.803	0.870	-1.085
F7	0.803	-1.658	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5449	2.4381	1.3251	1.3354	1.3354	2.3575
C2	1.5449		1.1817	2.3574	2.3615	2.3615	1.3358
O3	2.4381	1.1817		2.7177	3.3128	3.3128	2.2250
F4	1.3251	2.3574	2.7177		2.1666	2.1666	3.5026
F5	1.3354	2.3615	3.3128	2.1666		2.1696	2.7505
F6	1.3354	2.3615	3.3128	2.1666	2.1696		2.7505
F7	2.3575	1.3358	2.2250	3.5026	2.7505	2.7505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.286	C1	C2	F7	109.626
C2	C1	F4	110.212	C2	C1	F5	109.926
C2	C1	F6	109.926	O3	C2	F7	124.088
F4	C1	F5	109.049	F4	C1	F6	109.049
F5	C1	F6	108.647

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

using model chemistry: CCSD(T)=FULL/TZVP

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)=FULL/TZVP

States and conformations

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