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	hartrees
Energy at 0K	-548.942964
Energy at 298.15K	-548.944607
HF Energy	-548.130309
Nuclear repulsion energy	325.361125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1813	1747	121.24
2	A'	1300	1253	79.88
3	A'	1238	1193	208.38
4	A'	1069	1030	238.91
5	A'	750	723	4.33
6	A'	635	612	50.95
7	A'	554	534	3.92
8	A'	402	388	5.11
9	A'	372	358	0.05
10	A'	222	214	5.35
11	A"	1200	1156	220.99
12	A"	701	676	9.61
13	A"	467	450	15.68
14	A"	231	222	8.26
15	A"	44	43	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.578	0.000
C2	-0.324	-0.903	0.000
O3	-1.446	-1.366	0.000
F4	-1.055	1.380	0.000
F5	0.835	0.871	1.132
F6	0.835	0.871	-1.132
F7	0.835	-1.692	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5345	2.4698	1.3871	1.3934	1.3934	2.3935
C2	1.5345		1.2138	2.3972	2.4024	2.4024	1.4017
O3	2.4698	1.2138		2.7739	3.3895	3.3895	2.3036
F4	1.3871	2.3972	2.7739		2.2610	2.2610	3.6067
F5	1.3934	2.4024	3.3895	2.2610		2.2638	2.8020
F6	1.3934	2.4024	3.3895	2.2610	2.2638		2.8020
F7	2.3935	1.4017	2.3036	3.6067	2.8020	2.8020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.576	C1	C2	F7	109.117
C2	C1	F4	110.170	C2	C1	F5	110.179
C2	C1	F6	110.179	O3	C2	F7	123.307
F4	C1	F5	108.814	F4	C1	F6	108.814
F5	C1	F6	108.644

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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