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	hartrees
Energy at 0K	-52.300499
Energy at 298.15K	-52.304158
Nuclear repulsion energy	66.106122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3375	3031	17.69
2	A'	3259	2927	6.57
3	A'	2102	1888	435.92
4	A'	1598	1435	10.94
5	A'	1552	1394	45.42
6	A'	1346	1209	266.25
7	A'	1110	996	36.28
8	A'	929	834	37.59
9	A'	645	579	33.18
10	A'	433	389	0.04
11	A"	3332	2992	17.92
12	A"	1605	1442	7.76
13	A"	1174	1055	10.42
14	A"	619	556	15.49
15	A"	142	127	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.212	0.000
C2	0.971	-0.951	0.000
O3	0.230	1.369	0.000
F4	-1.262	-0.222	0.000
H5	1.988	-0.572	0.000
H6	0.791	-1.564	0.882
H7	0.791	-1.564	-0.882

	C1	C2	O3	F4	H5	H6	H7
C1		1.5153	1.1795	1.3342	2.1364	2.1349	2.1349
C2	1.5153		2.4358	2.3490	1.0851	1.0892	1.0892
O3	1.1795	2.4358		2.1805	2.6182	3.1136	3.1136
F4	1.3342	2.3490	2.1805		3.2681	2.6064	2.6064
H5	2.1364	1.0851	2.6182	3.2681		1.7875	1.7875
H6	2.1349	1.0892	3.1136	2.6064	1.7875		1.7648
H7	2.1349	1.0892	3.1136	2.6064	1.7875	1.7648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.363	C1	C2	H6	109.010
C1	C2	H7	109.010	C2	C1	O3	128.917
C2	C1	F4	110.881	O3	C1	F4	120.202
H5	C2	H6	110.596	H5	C2	H7	110.596
H6	C2	H7	108.227

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	0.185
2	C	-0.245
3	O	-0.165
4	F	-0.214
5	H	0.155
6	H	0.141
7	H	0.141

	x	y	z	Total
	1.520	-2.910	0.000	3.283
CHELPG
AIM
ESP

	x	y	z
x	3.188	0.089	0.000
y	0.089	4.015	0.000
z	0.000	0.000	2.610

<r²>	57.098
(<r²>)^1/2	7.556

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

using model chemistry: HF/CEP-31G*

States and conformations

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