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	hartrees
Energy at 0K	-549.814725
Energy at 298.15K	-549.816735
HF Energy	-548.565141
Nuclear repulsion energy	337.207700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2019	1888	211.50
2	A'	1400	1310	89.19
3	A'	1331	1245	334.88
4	A'	1166	1090	302.90
5	A'	841	787	6.29
6	A'	722	676	53.91
7	A'	617	577	2.02
8	A'	443	415	2.63
9	A'	396	371	0.09
10	A'	235	220	3.93
11	A"	1279	1196	305.02
12	A"	788	737	16.54
13	A"	539	504	10.82
14	A"	248	232	7.32
15	A"	47	44	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	0.585	0.000
C2	-0.299	-0.911	0.000
O3	-1.386	-1.348	0.000
F4	-1.011	1.327	0.000
F5	0.797	0.870	1.078
F6	0.797	0.870	-1.078
F7	0.797	-1.652	0.000

	C1	C2	O3	F4	F5	F6	F7
C1		1.5422	2.4241	1.3175	1.3276	1.3276	2.3497
C2	1.5422		1.1717	2.3483	2.3528	2.3528	1.3232
O3	2.4241	1.1717		2.7007	3.2936	3.2936	2.2045
F4	1.3175	2.3483	2.7007		2.1547	2.1547	3.4848
F5	1.3276	2.3528	3.2936	2.1547		2.1569	2.7427
F6	1.3276	2.3528	3.2936	2.1547	2.1569		2.7427
F7	2.3497	1.3232	2.2045	3.4848	2.7427	2.7427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.017	C1	C2	F7	109.939
C2	C1	F4	110.154	C2	C1	F5	109.912
C2	C1	F6	109.912	O3	C2	F7	124.043
F4	C1	F5	109.092	F4	C1	F6	109.092
F5	C1	F6	108.648

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

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

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