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	hartrees
Energy at 0K	-549.455304
Energy at 298.15K	-549.457208
HF Energy	-548.352961
Nuclear repulsion energy	335.600828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2012	1904	172.99
2	A'	1431	1355	92.98
3	A'	1348	1276	291.69
4	A'	1170	1107	277.92
5	A'	832	787	5.94
6	A'	699	662	52.45
7	A'	603	571	1.91
8	A'	432	409	2.66
9	A'	394	373	0.07
10	A'	229	217	3.80
11	A"	1299	1229	269.62
12	A"	774	732	13.50
13	A"	519	491	9.99
14	A"	239	226	6.41
15	A"	48	46	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.581	0.000
C2	-0.307	-0.901	0.000
O3	-1.405	-1.344	0.000
F4	-1.015	1.340	0.000
F5	0.806	0.856	1.088
F6	0.806	0.856	-1.088
F7	0.806	-1.644	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5307	2.4293	1.3297	1.3385	1.3385	2.3409
C2	1.5307		1.1845	2.3508	2.3473	2.3473	1.3374
O3	2.4293	1.1845		2.7129	3.3037	3.3037	2.2310
F4	1.3297	2.3508	2.7129		2.1757	2.1757	3.4956
F5	1.3385	2.3473	3.3037	2.1757		2.1762	2.7263
F6	1.3385	2.3473	3.3037	2.1757	2.1762		2.7263
F7	2.3409	1.3374	2.2310	3.4956	2.7263	2.7263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.470	C1	C2	F7	109.222
C2	C1	F4	110.336	C2	C1	F5	109.607
C2	C1	F6	109.607	O3	C2	F7	124.308
F4	C1	F5	109.252	F4	C1	F6	109.252
F5	C1	F6	108.762

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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