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	hartrees
Energy at 0K	-549.483223
Energy at 298.15K	-549.485145
HF Energy	-548.370870
Nuclear repulsion energy	335.104984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2013	1873	206.90
2	A'	1405	1307	100.03
3	A'	1315	1223	316.75
4	A'	1144	1065	288.55
5	A'	826	769	7.28
6	A'	697	648	54.32
7	A'	599	557	1.94
8	A'	430	400	2.68
9	A'	392	364	0.07
10	A'	232	216	3.53
11	A"	1262	1175	296.06
12	A"	776	722	16.00
13	A"	518	482	10.71
14	A"	246	229	6.76
15	A"	49	46	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.076	0.582	0.000
C2	-0.307	-0.906	0.000
O3	-1.403	-1.349	0.000
F4	-1.016	1.342	0.000
F5	0.805	0.862	1.089
F6	0.805	0.862	-1.089
F7	0.805	-1.651	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5367	2.4320	1.3305	1.3402	1.3402	2.3491
C2	1.5367		1.1817	2.3576	2.3557	2.3557	1.3386
O3	2.4320	1.1817		2.7188	3.3088	3.3088	2.2286
F4	1.3305	2.3576	2.7188		2.1755	2.1755	3.5038
F5	1.3402	2.3557	3.3088	2.1755		2.1783	2.7388
F6	1.3402	2.3557	3.3088	2.1755	2.1783		2.7388
F7	2.3491	1.3386	2.2286	3.5038	2.7388	2.7388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.431	C1	C2	F7	109.373
C2	C1	F4	110.420	C2	C1	F5	109.747
C2	C1	F6	109.747	O3	C2	F7	124.196
F4	C1	F5	109.093	F4	C1	F6	109.093
F5	C1	F6	108.711

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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