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	hartrees
Energy at 0K	-909.790321
Energy at 298.15K	-909.791922
HF Energy	-908.529043
Nuclear repulsion energy	392.821346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	521	502
2	A'	405	390
3	A'	342	329
4	A'	200	192
5	A"	1249	1202
6	A"	707	680
7	A'	1860	1791
8	A'	1313	1264
9	A'	1286	1237
10	A'	947	911
11	A'	754	726
12	A'	591	569
13	A"	523	503
14	A"	243	234
15	A"	48	47

Atom	x (Å)	y (Å)	z (Å)
C1	0.538	-0.690	0.000
C2	0.077	0.791	0.000
O3	0.830	1.711	0.000
F4	1.864	-0.744	0.000
F5	0.077	-1.315	1.085
F6	0.077	-1.315	-1.085
Cl7	-1.676	0.945	0.000

	C1	C2	O3	F4	F5	F6	Cl7
C1		1.5511	2.4181	1.3270	1.3341	1.3341	2.7525
C2	1.5511		1.1883	2.3561	2.3687	2.3687	1.7597
O3	2.4181	1.1883		2.6640	3.3008	3.3008	2.6200
F4	1.3270	2.3561	2.6640		2.1670	2.1670	3.9227
F5	1.3341	2.3687	3.3008	2.1670		2.1695	3.0589
F6	1.3341	2.3687	3.3008	2.1670	2.1695		3.0589
Cl7	2.7525	1.7597	2.6200	3.9227	3.0589	3.0589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.394	C1	C2	F7	112.330
C2	C1	F4	109.657	C2	C1	F5	110.141
C2	C1	F6	110.141	O3	C2	F7	124.276
F4	C1	F5	109.038	F4	C1	F6	109.038
F5	C1	F6	108.799

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

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

States and conformations

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