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	hartrees
Energy at 0K	-252.160713
Energy at 298.15K	-252.164082
HF Energy	-251.735981
Nuclear repulsion energy	113.979470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3081	6.97
2	A'	3058	2952	2.08
3	A'	1758	1697	187.32
4	A'	1522	1469	23.50
5	A'	1464	1414	27.94
6	A'	1174	1133	114.40
7	A'	982	948	74.03
8	A'	715	690	128.70
9	A'	532	514	19.00
10	A'	387	373	2.06
11	A"	3164	3054	4.19
12	A"	1518	1465	15.07
13	A"	1109	1071	8.70
14	A"	528	510	8.16
15	A"	139	134	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.207	0.000
C2	1.233	-0.678	0.000
O3	-0.145	1.425	0.000
F4	-1.201	-0.652	0.000
H5	2.137	-0.054	0.000
H6	1.214	-1.325	0.891
H7	1.214	-1.325	-0.891

	C1	C2	O3	F4	H5	H6	H7
C1		1.5179	1.2260	1.4767	2.1530	2.1481	2.1481
C2	1.5179		2.5139	2.4336	1.0987	1.1011	1.1011
O3	1.2260	2.5139		2.3303	2.7190	3.1936	3.1936
F4	1.4767	2.4336	2.3303		3.3909	2.6599	2.6599
H5	2.1530	1.0987	2.7190	3.3909		1.8059	1.8059
H6	2.1481	1.1011	3.1936	2.6599	1.8059		1.7822
H7	2.1481	1.1011	3.1936	2.6599	1.8059	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.701	C1	C2	H6	109.173
C1	C2	H7	109.173	C2	C1	O3	132.459
C2	C1	F4	108.705	O3	C1	F4	118.836
H5	C2	H6	110.354	H5	C2	H7	110.354
H6	C2	H7	108.050

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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