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	hartrees
Energy at 0K	-549.525229
Energy at 298.15K	-549.527069
HF Energy	-548.367478
Nuclear repulsion energy	333.687528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1910	1794	176.62
2	A'	1364	1281	106.41
3	A'	1261	1184	322.04
4	A'	1091	1025	277.55
5	A'	801	752	9.43
6	A'	675	634	46.34
7	A'	587	551	1.87
8	A'	419	394	2.25
9	A'	385	362	0.06
10	A'	229	215	3.44
11	A"	1207	1134	306.23
12	A"	760	714	14.83
13	A"	508	477	8.83
14	A"	243	228	6.21
15	A"	48	45	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.078	0.580	0.000
C2	-0.315	-0.903	0.000
O3	-1.419	-1.352	0.000
F4	-1.014	1.351	0.000
F5	0.811	0.858	1.095
F6	0.811	0.858	-1.095
F7	0.811	-1.650	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5340	2.4440	1.3369	1.3468	1.3468	2.3479
C2	1.5340		1.1924	2.3605	2.3594	2.3594	1.3515
O3	2.4440	1.1924		2.7335	3.3252	3.3252	2.2507
F4	1.3369	2.3605	2.7335		2.1852	2.1852	3.5133
F5	1.3468	2.3594	3.3252	2.1852		2.1893	2.7365
F6	1.3468	2.3594	3.3252	2.1852	2.1893		2.7365
F7	2.3479	1.3515	2.2507	3.5133	2.7365	2.7365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.927	C1	C2	F7	108.751
C2	C1	F4	110.427	C2	C1	F5	109.797
C2	C1	F6	109.797	O3	C2	F7	124.321
F4	C1	F5	109.025	F4	C1	F6	109.025
F5	C1	F6	108.737

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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