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	hartrees
Energy at 0K	-252.457460
Energy at 298.15K	-252.460974
HF Energy	-251.808290
Nuclear repulsion energy	117.835937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3084	1.60
2	A'	3151	2959	0.36
3	A'	1898	1782	249.85
4	A'	1521	1429	14.35
5	A'	1450	1362	31.49
6	A'	1214	1140	198.24
7	A'	1031	968	46.19
8	A'	828	778	92.58
9	A'	587	552	19.12
10	A'	417	392	0.30
11	A"	3246	3049	0.46
12	A"	1523	1431	9.49
13	A"	1091	1025	6.36
14	A"	569	534	7.18
15	A"	132	124	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.188	0.000
C2	1.089	-0.831	0.000
O3	0.066	1.384	0.000
F4	-1.232	-0.439	0.000
H5	2.052	-0.334	0.000
H6	0.988	-1.463	0.879
H7	0.988	-1.463	-0.879

	C1	C2	O3	F4	H5	H6	H7
C1		1.4920	1.1976	1.3823	2.1174	2.1153	2.1153
C2	1.4920		2.4404	2.3545	1.0835	1.0871	1.0871
O3	1.1976	2.4404		2.2372	2.6263	3.1190	3.1190
F4	1.3823	2.3545	2.2372		3.2858	2.5981	2.5981
H5	2.1174	1.0835	2.6263	3.2858		1.7832	1.7832
H6	2.1153	1.0871	3.1190	2.5981	1.7832		1.7579
H7	2.1153	1.0871	3.1190	2.5981	1.7832	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.577	C1	C2	H6	109.196
C1	C2	H7	109.196	C2	C1	O3	129.962
C2	C1	F4	109.943	O3	C1	F4	120.095
H5	C2	H6	110.467	H5	C2	H7	110.467
H6	C2	H7	107.902

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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