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	hartrees
Energy at 0K	-546.136821
Energy at 298.15K	-546.138552
HF Energy	-545.351443
Nuclear repulsion energy	329.229065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1789	1708	98.08
2	A'	1313	1254	248.49
3	A'	1297	1238	37.86
4	A'	1126	1075	227.47
5	A'	771	736	2.11
6	A'	661	631	48.12
7	A'	574	548	4.19
8	A'	413	395	3.88
9	A'	375	358	0.14
10	A'	211	202	5.47
11	A"	1274	1216	219.19
12	A"	742	708	6.11
13	A"	495	472	13.06
14	A"	227	217	6.63
15	A"	39	38	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.080	0.579	0.000
C2	-0.321	-0.895	0.000
O3	-1.438	-1.367	0.000
F4	-1.049	1.348	0.000
F5	0.829	0.867	1.112
F6	0.829	0.867	-1.112
F7	0.829	-1.657	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5275	2.4681	1.3659	1.3713	1.3713	2.3581
C2	1.5275		1.2131	2.3584	2.3802	2.3802	1.3795
O3	2.4681	1.2131		2.7428	3.3720	3.3720	2.2861
F4	1.3659	2.3584	2.7428		2.2347	2.2347	3.5437
F5	1.3713	2.3802	3.3720	2.2347		2.2232	2.7584
F6	1.3713	2.3802	3.3720	2.2347	2.2232		2.7584
F7	2.3581	1.3795	2.2861	3.5437	2.7584	2.7584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.094	C1	C2	F7	108.314
C2	C1	F4	109.066	C2	C1	F5	110.268
C2	C1	F6	110.268	O3	C2	F7	123.592
F4	C1	F5	109.457	F4	C1	F6	109.457
F5	C1	F6	108.309

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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