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	hartrees
Energy at 0K	-52.920759
Energy at 298.15K	-52.924243
HF Energy	-52.304943
Nuclear repulsion energy	65.039111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3082	3.62
2	A'	3100	2954	1.10
3	A'	1862	1774	238.81
4	A'	1513	1442	16.06
5	A'	1443	1375	35.34
6	A'	1211	1154	196.10
7	A'	1022	974	50.86
8	A'	823	784	77.55
9	A'	583	556	18.97
10	A'	409	390	0.24
11	A"	3197	3046	2.58
12	A"	1513	1442	10.66
13	A"	1088	1037	5.91
14	A"	554	528	6.15
15	A"	130	124	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.190	0.000
C2	1.085	-0.859	0.000
O3	0.085	1.390	0.000
F4	-1.244	-0.418	0.000
H5	2.059	-0.370	0.000
H6	0.971	-1.491	0.884
H7	0.971	-1.491	-0.884

	C1	C2	O3	F4	H5	H6	H7
C1		1.5092	1.2034	1.3845	2.1334	2.1330	2.1330
C2	1.5092		2.4614	2.3709	1.0891	1.0928	1.0928
O3	1.2034	2.4614		2.2440	2.6443	3.1411	3.1411
F4	1.3845	2.3709	2.2440		3.3030	2.6156	2.6156
H5	2.1334	1.0891	2.6443	3.3030		1.7945	1.7945
H6	2.1330	1.0928	3.1411	2.6156	1.7945		1.7685
H7	2.1330	1.0928	3.1411	2.6156	1.7945	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.316	C1	C2	H6	109.067
C1	C2	H7	109.067	C2	C1	O3	129.948
C2	C1	F4	109.961	O3	C1	F4	120.091
H5	C2	H6	110.664	H5	C2	H7	110.664
H6	C2	H7	108.027

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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