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	hartrees
Energy at 0K	-549.821752
Energy at 298.15K	-549.823750
HF Energy	-548.564515
Nuclear repulsion energy	336.746649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1998	1894	201.68
2	A'	1393	1320	91.15
3	A'	1324	1255	331.21
4	A'	1156	1096	301.65
5	A'	835	792	6.54
6	A'	718	681	52.34
7	A'	614	582	2.01
8	A'	442	419	2.60
9	A'	395	374	0.09
10	A'	235	223	3.90
11	A"	1272	1206	305.43
12	A"	784	744	16.43
13	A"	537	509	10.63
14	A"	248	235	7.28
15	A"	48	45	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.078	0.585	0.000
C2	-0.301	-0.911	0.000
O3	-1.390	-1.349	0.000
F4	-1.012	1.330	0.000
F5	0.799	0.870	1.080
F6	0.799	0.870	-1.080
F7	0.799	-1.653	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5431	2.4281	1.3194	1.3292	1.3292	2.3515
C2	1.5431		1.1741	2.3504	2.3550	2.3550	1.3265
O3	2.4281	1.1741		2.7053	3.2986	3.2986	2.2095
F4	1.3194	2.3504	2.7053		2.1573	2.1573	3.4890
F5	1.3292	2.3550	3.2986	2.1573		2.1597	2.7446
F6	1.3292	2.3550	3.2986	2.1573	2.1597		2.7446
F7	2.3515	1.3265	2.2095	3.4890	2.7446	2.7446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.122	C1	C2	F7	109.834
C2	C1	F4	110.150	C2	C1	F5	109.926
C2	C1	F6	109.926	O3	C2	F7	124.043
F4	C1	F5	109.076	F4	C1	F6	109.076
F5	C1	F6	108.657

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

using model chemistry: CCD/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: CCD/TZVP

States and conformations

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