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	hartrees
Energy at 0K	-910.866607
Energy at 298.15K
HF Energy	-910.423482
Nuclear repulsion energy	392.582044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	508	508	19.82
2	A'	400	400	0.24
3	A'	339	339	4.62
4	A'	198	198	1.91
5	A"	1217	1217	302.10
6	A"	710	710	4.24
7	A'	1875	1875	272.54
8	A'	1285	1285	108.74
9	A'	1254	1254	250.67
10	A'	927	927	287.57
11	A'	747	747	81.12
12	A'	586	586	7.18
13	A"	519	519	7.94
14	A"	241	241	6.14
15	A"	45	45	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.540	-0.689	0.000
C2	0.081	0.791	0.000
O3	0.825	1.710	0.000
F4	1.868	-0.740	0.000
F5	0.081	-1.315	1.085
F6	0.081	-1.315	-1.085
Cl7	-1.682	0.943	0.000

	C1	C2	O3	F4	F5	F6	Cl7
C1		1.5491	2.4152	1.3280	1.3346	1.3346	2.7577
C2	1.5491		1.1819	2.3524	2.3693	2.3693	1.7705
O3	2.4152	1.1819		2.6625	3.2988	3.2988	2.6217
F4	1.3280	2.3524	2.6625		2.1677	2.1677	3.9289
F5	1.3346	2.3693	3.2988	2.1677		2.1702	3.0644
F6	1.3346	2.3693	3.2988	2.1677	2.1702		3.0644
Cl7	2.7577	1.7705	2.6217	3.9289	3.0644	3.0644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.793	C1	C2	F7	112.181
C2	C1	F4	109.454	C2	C1	F5	110.279
C2	C1	F6	110.279	O3	C2	F7	124.026
F4	C1	F5	109.001	F4	C1	F6	109.001
F5	C1	F6	108.797

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-311G**

States and conformations

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