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	hartrees
Energy at 0K	-549.566457
Energy at 298.15K	-549.568441
HF Energy	-548.384679
Nuclear repulsion energy	336.501097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2028	1907	199.62
2	A'	1430	1344	93.97
3	A'	1343	1263	333.39
4	A'	1166	1096	305.43
5	A'	835	785	6.45
6	A'	713	670	52.96
7	A'	611	574	2.14
8	A'	438	412	2.58
9	A'	397	374	0.07
10	A'	230	216	4.03
11	A"	1292	1215	302.89
12	A"	792	745	15.02
13	A"	531	500	10.08
14	A"	244	230	6.33
15	A"	49	46	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.583	0.000
C2	-0.302	-0.906	0.000
O3	-1.395	-1.346	0.000
F4	-1.014	1.331	0.000
F5	0.801	0.864	1.082
F6	0.801	0.864	-1.082
F7	0.801	-1.648	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5361	2.4264	1.3228	1.3322	1.3322	2.3459
C2	1.5361		1.1786	2.3477	2.3495	2.3495	1.3300
O3	2.4264	1.1786		2.7042	3.2985	3.2985	2.2176
F4	1.3228	2.3477	2.7042		2.1644	2.1644	3.4891
F5	1.3322	2.3495	3.2985	2.1644		2.1638	2.7353
F6	1.3322	2.3495	3.2985	2.1644	2.1638		2.7353
F7	2.3459	1.3300	2.2176	3.4891	2.7353	2.7353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.195	C1	C2	F7	109.661
C2	C1	F4	110.182	C2	C1	F5	109.792
C2	C1	F6	109.792	O3	C2	F7	124.145
F4	C1	F5	109.219	F4	C1	F6	109.219
F5	C1	F6	108.608

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

using model chemistry: MP3=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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