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	hartrees
Energy at 0K	-549.027734
Energy at 298.15K	-549.029169
HF Energy	-548.250493
Nuclear repulsion energy	321.290831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1723	1663	143.24
2	A'	1214	1172	108.83
3	A'	1093	1055	237.46
4	A'	948	915	259.86
5	A'	700	676	10.68
6	A'	598	577	46.05
7	A'	529	510	4.19
8	A'	380	367	5.39
9	A'	353	341	0.03
10	A'	214	206	6.58
11	A"	1061	1024	257.46
12	A"	692	668	17.19
13	A"	448	432	14.32
14	A"	228	220	8.96
15	A"	45	43	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.079	0.579	0.000
C2	-0.344	-0.921	0.000
O3	-1.471	-1.394	0.000
F4	-1.054	1.409	0.000
F5	0.846	0.884	1.142
F6	0.846	0.884	-1.142
F7	0.846	-1.709	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5587	2.5087	1.4039	1.4089	1.4089	2.4138
C2	1.5587		1.2218	2.4354	2.4448	2.4448	1.4276
O3	2.5087	1.2218		2.8333	3.4435	3.4435	2.3382
F4	1.4039	2.4354	2.8333		2.2779	2.2779	3.6514
F5	1.4089	2.4448	3.4435	2.2779		2.2835	2.8334
F6	1.4089	2.4448	3.4435	2.2779	2.2835		2.8334
F7	2.4138	1.4276	2.3382	3.6514	2.8334	2.8334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.506	C1	C2	F7	107.778
C2	C1	F4	110.473	C2	C1	F5	110.845
C2	C1	F6	110.845	O3	C2	F7	123.716
F4	C1	F5	108.155	F4	C1	F6	108.155
F5	C1	F6	108.269

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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