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	hartrees
Energy at 0K	-549.559170
Energy at 298.15K	-549.561138
HF Energy	-548.383887
Nuclear repulsion energy	335.893460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2008	1921	189.91
2	A'	1421	1360	94.41
3	A'	1336	1279	329.58
4	A'	1157	1107	303.89
5	A'	829	793	6.51
6	A'	708	677	51.88
7	A'	608	581	2.14
8	A'	436	417	2.57
9	A'	395	378	0.07
10	A'	229	219	4.01
11	A"	1287	1231	302.15
12	A"	788	754	14.84
13	A"	529	506	9.99
14	A"	244	233	6.29
15	A"	49	47	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.584	0.000
C2	-0.304	-0.907	0.000
O3	-1.399	-1.348	0.000
F4	-1.015	1.335	0.000
F5	0.803	0.865	1.084
F6	0.803	0.865	-1.084
F7	0.803	-1.651	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5385	2.4318	1.3251	1.3342	1.3342	2.3492
C2	1.5385		1.1813	2.3514	2.3535	2.3535	1.3336
O3	2.4318	1.1813		2.7105	3.3053	3.3053	2.2232
F4	1.3251	2.3514	2.7105		2.1677	2.1677	3.4950
F5	1.3342	2.3535	3.3053	2.1677		2.1672	2.7390
F6	1.3342	2.3535	3.3053	2.1677	2.1672		2.7390
F7	2.3492	1.3336	2.2232	3.4950	2.7390	2.7390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.294	C1	C2	F7	109.553
C2	C1	F4	110.174	C2	C1	F5	109.821
C2	C1	F6	109.821	O3	C2	F7	124.153
F4	C1	F5	109.194	F4	C1	F6	109.194
F5	C1	F6	108.608

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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