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	hartrees
Energy at 0K	-549.510578
Energy at 298.15K	-549.512353
HF Energy	-548.348397
Nuclear repulsion energy	333.407934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1897	1811
2	A'	1373	1311
3	A'	1295	1236
4	A'	1112	1062
5	A'	797	761
6	A'	671	641
7	A'	585	559
8	A'	417	398
9	A'	383	365
10	A'	222	212
11	A"	1247	1191
12	A"	745	711
13	A"	503	480
14	A"	231	221
15	A"	44	42

Atom	x (Å)	y (Å)	z (Å)
C1	0.079	0.582	0.000
C2	-0.315	-0.901	0.000
O3	-1.424	-1.353	0.000
F4	-1.017	1.352	0.000
F5	0.813	0.856	1.095
F6	0.813	0.856	-1.095
F7	0.813	-1.648	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5347	2.4501	1.3387	1.3469	1.3469	2.3477
C2	1.5347		1.1972	2.3598	2.3581	2.3581	1.3530
O3	2.4501	1.1972		2.7357	3.3294	3.3294	2.2564
F4	1.3387	2.3598	2.7357		2.1894	2.1894	3.5137
F5	1.3469	2.3581	3.3294	2.1894		2.1901	2.7328
F6	1.3469	2.3581	3.3294	2.1894	2.1901		2.7328
F7	2.3477	1.3530	2.2564	3.5137	2.7328	2.7328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.052	C1	C2	F7	108.616
C2	C1	F4	110.236	C2	C1	F5	109.669
C2	C1	F6	109.669	O3	C2	F7	124.332
F4	C1	F5	109.225	F4	C1	F6	109.225
F5	C1	F6	108.792

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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