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	hartrees
Energy at 0K	-252.335740
Energy at 298.15K	-252.339364
HF Energy	-251.797615
Nuclear repulsion energy	119.175352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3303	3051	2.85
2	A'	3182	2939	0.39
3	A'	2040	1885	290.01
4	A'	1560	1441	12.40
5	A'	1504	1389	50.96
6	A'	1319	1218	219.99
7	A'	1080	998	27.64
8	A'	908	838	35.18
9	A'	628	580	25.72
10	A'	428	396	0.04
11	A"	3258	3009	1.91
12	A"	1562	1443	9.25
13	A"	1138	1051	11.12
14	A"	598	553	9.66
15	A"	146	135	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.185	0.000
C2	1.017	-0.909	0.000
O3	0.168	1.355	0.000
F4	-1.246	-0.327	0.000
H5	2.013	-0.481	0.000
H6	0.875	-1.534	0.879
H7	0.875	-1.534	-0.879

	C1	C2	O3	F4	H5	H6	H7
C1		1.4932	1.1822	1.3469	2.1203	2.1196	2.1196
C2	1.4932		2.4173	2.3362	1.0841	1.0884	1.0884
O3	1.1822	2.4173		2.1977	2.6025	3.1015	3.1015
F4	1.3469	2.3362	2.1977		3.2625	2.5932	2.5932
H5	2.1203	1.0841	2.6025	3.2625		1.7831	1.7831
H6	2.1196	1.0884	3.1015	2.5932	1.7831		1.7578
H7	2.1196	1.0884	3.1015	2.5932	1.7831	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.690	C1	C2	H6	109.382
C1	C2	H7	109.382	C2	C1	O3	128.879
C2	C1	F4	110.581	O3	C1	F4	120.540
H5	C2	H6	110.321	H5	C2	H7	110.321
H6	C2	H7	107.712

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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