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	hartrees
Energy at 0K	-248.424001
Energy at 298.15K	-248.427423
Nuclear repulsion energy	116.923864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3770	3078	1.62
2	A'	3573	2917	1.49
3	A'	2146	1752	76.85
4	A'	1795	1466	6.40
5	A'	1697	1385	10.70
6	A'	1513	1235	107.12
7	A'	1181	964	3.41
8	A'	976	797	2.19
9	A'	612	500	26.86
10	A'	419	342	0.01
11	A"	3748	3060	1.11
12	A"	1792	1463	4.40
13	A"	1224	1000	6.95
14	A"	595	486	6.24
15	A"	113	92	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.176	0.000
C2	0.953	-1.035	0.000
O3	0.316	1.346	0.000
F4	-1.308	-0.182	0.000
H5	1.981	-0.687	0.000
H6	0.776	-1.644	0.882
H7	0.776	-1.644	-0.882

	C1	C2	O3	F4	H5	H6	H7
C1		1.5410	1.2123	1.3564	2.1606	2.1664	2.1664
C2	1.5410		2.4653	2.4167	1.0848	1.0867	1.0867
O3	1.2123	2.4653		2.2302	2.6284	3.1519	3.1519
F4	1.3564	2.4167	2.2302		3.3275	2.6943	2.6943
H5	2.1606	1.0848	2.6284	3.3275		1.7736	1.7736
H6	2.1664	1.0867	3.1519	2.6943	1.7736		1.7644
H7	2.1664	1.0867	3.1519	2.6943	1.7736	1.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.511	C1	C2	H6	109.859
C1	C2	H7	109.859	C2	C1	O3	126.709
C2	C1	F4	112.891	O3	C1	F4	120.400
H5	C2	H6	109.521	H5	C2	H7	109.521
H6	C2	H7	108.553

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

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	C	0.337
2	C	-0.213
3	O	-0.237
4	F	-0.147
5	H	0.089
6	H	0.086
7	H	0.086

	x	y	z	Total
	0.745	-1.845	0.000	1.990
CHELPG
AIM
ESP

	x	y	z
x	1.829	0.201	0.000
y	0.201	2.432	0.000
z	0.000	0.000	1.137

<r²>	68.789
(<r²>)^1/2	8.294

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

using model chemistry: HF/STO-3G

States and conformations

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