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	hartrees
Energy at 0K	-252.713029
Energy at 298.15K	-252.716554
HF Energy	-251.907168
Nuclear repulsion energy	118.763407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3078	1.33
2	A'	3109	2959	0.11
3	A'	1893	1801	242.46
4	A'	1484	1412	13.32
5	A'	1414	1345	37.86
6	A'	1216	1157	205.88
7	A'	1015	966	31.60
8	A'	849	808	63.07
9	A'	603	574	18.42
10	A'	415	395	0.08
11	A"	3194	3039	0.39
12	A"	1495	1422	8.06
13	A"	1073	1021	7.54
14	A"	573	545	5.07
15	A"	131	124	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.186	0.000
C2	1.044	-0.878	0.000
O3	0.129	1.366	0.000
F4	-1.239	-0.371	0.000
H5	2.026	-0.424	0.000
H6	0.915	-1.507	0.877
H7	0.915	-1.507	-0.877

	C1	C2	O3	F4	H5	H6	H7
C1		1.4903	1.1876	1.3587	2.1161	2.1148	2.1148
C2	1.4903		2.4235	2.3384	1.0828	1.0870	1.0870
O3	1.1876	2.4235		2.2119	2.6082	3.1052	3.1052
F4	1.3587	2.3384	2.2119		3.2660	2.5885	2.5885
H5	2.1161	1.0828	2.6082	3.2660		1.7827	1.7827
H6	2.1148	1.0870	3.1052	2.5885	1.7827		1.7547
H7	2.1148	1.0870	3.1052	2.5885	1.7827	1.7547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.636	C1	C2	H6	109.278
C1	C2	H7	109.278	C2	C1	O3	129.299
C2	C1	F4	110.240	O3	C1	F4	120.462
H5	C2	H6	110.490	H5	C2	H7	110.490
H6	C2	H7	107.629

All results from a given calculation for CH₃COF (Acetyl fluoride)

using model chemistry: MP2/Def2TZVPP

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 CH3COF (Acetyl fluoride)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for CH₃COF (Acetyl fluoride)