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	hartrees
Energy at 0K	-546.178092
Energy at 298.15K	-546.179730
HF Energy	-545.349062
Nuclear repulsion energy	327.848089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1760	1722
2	A'	1295	1267
3	A'	1262	1235
4	A'	1099	1076
5	A'	748	732
6	A'	646	632
7	A'	562	550
8	A'	404	396
9	A'	364	356
10	A'	205	200
11	A"	1257	1231
12	A"	721	706
13	A"	486	476
14	A"	222	217
15	A"	35	34

Atom	x (Å)	y (Å)	z (Å)
C1	0.081	0.583	0.000
C2	-0.324	-0.901	0.000
O3	-1.446	-1.375	0.000
F4	-1.051	1.355	0.000
F5	0.833	0.872	1.115
F6	0.833	0.872	-1.115
F7	0.833	-1.665	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5385	2.4828	1.3699	1.3753	1.3753	2.3705
C2	1.5385		1.2175	2.3700	2.3925	2.3925	1.3862
O3	2.4828	1.2175		2.7580	3.3884	3.3884	2.2966
F4	1.3699	2.3700	2.7580		2.2416	2.2416	3.5590
F5	1.3753	2.3925	3.3884	2.2416		2.2298	2.7709
F6	1.3753	2.3925	3.3884	2.2416	2.2298		2.7709
F7	2.3705	1.3862	2.2966	3.5590	2.7709	2.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.174	C1	C2	F7	108.177
C2	C1	F4	109.013	C2	C1	F5	110.263
C2	C1	F6	110.263	O3	C2	F7	123.650
F4	C1	F5	109.481	F4	C1	F6	109.481
F5	C1	F6	108.325

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

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

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