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	hartrees
Energy at 0K	-549.467246
Energy at 298.15K	-549.469129
HF Energy	-548.352272
Nuclear repulsion energy	335.249787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1990	1879	172.64
2	A'	1422	1343	93.44
3	A'	1338	1264	289.89
4	A'	1160	1096	273.66
5	A'	827	781	5.75
6	A'	694	656	51.33
7	A'	599	566	1.91
8	A'	429	405	2.53
9	A'	392	371	0.07
10	A'	229	216	3.78
11	A"	1289	1217	268.89
12	A"	768	725	13.09
13	A"	516	487	9.74
14	A"	238	225	6.32
15	A"	47	45	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.581	0.000
C2	-0.308	-0.901	0.000
O3	-1.408	-1.345	0.000
F4	-1.015	1.342	0.000
F5	0.807	0.856	1.089
F6	0.807	0.856	-1.089
F7	0.807	-1.644	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5306	2.4318	1.3313	1.3401	1.3401	2.3418
C2	1.5306		1.1869	2.3521	2.3483	2.3483	1.3400
O3	2.4318	1.1869		2.7159	3.3072	3.3072	2.2356
F4	1.3313	2.3521	2.7159		2.1781	2.1781	3.4987
F5	1.3401	2.3483	3.3072	2.1781		2.1789	2.7270
F6	1.3401	2.3483	3.3072	2.1781	2.1789		2.7270
F7	2.3418	1.3400	2.2356	3.4987	2.7270	2.7270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.520	C1	C2	F7	109.156
C2	C1	F4	110.351	C2	C1	F5	109.599
C2	C1	F6	109.599	O3	C2	F7	124.324
F4	C1	F5	109.244	F4	C1	F6	109.244
F5	C1	F6	108.776

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

using model chemistry: CCSD/6-31G*

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/6-31G*

States and conformations

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