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	hartrees
Energy at 0K	-546.018206
Energy at 298.15K	-546.020098
HF Energy	-545.357586
Nuclear repulsion energy	333.083062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1981	1846	143.00
2	A'	1391	1296	265.23
3	A'	1381	1287	44.85
4	A'	1197	1115	257.12
5	A'	817	761	1.81
6	A'	696	648	61.90
7	A'	597	556	4.56
8	A'	433	403	4.69
9	A'	390	363	0.14
10	A'	218	203	6.10
11	A"	1349	1256	231.45
12	A"	783	730	10.11
13	A"	514	479	17.14
14	A"	237	221	8.55
15	A"	42	39	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.076	0.576	0.000
C2	-0.310	-0.892	0.000
O3	-1.409	-1.350	0.000
F4	-1.041	1.334	0.000
F5	0.816	0.863	1.099
F6	0.816	0.863	-1.099
F7	0.816	-1.648	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5180	2.4315	1.3497	1.3562	1.3562	2.3440
C2	1.5180		1.1900	2.3429	2.3576	2.3576	1.3566
O3	2.4315	1.1900		2.7088	3.3251	3.3251	2.2449
F4	1.3497	2.3429	2.7088		2.2092	2.2092	3.5130
F5	1.3562	2.3576	3.3251	2.2092		2.1982	2.7410
F6	1.3562	2.3576	3.3251	2.2092	2.1982		2.7410
F7	2.3440	1.3566	2.2449	3.5130	2.7410	2.7410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.351	C1	C2	F7	109.128
C2	C1	F4	109.432	C2	C1	F5	110.092
C2	C1	F6	110.092	O3	C2	F7	123.521
F4	C1	F5	109.463	F4	C1	F6	109.463
F5	C1	F6	108.279

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

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

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