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	hartrees
Energy at 0K	-52.188314
Energy at 298.15K	-52.191922
Nuclear repulsion energy	65.030761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3384	3050	16.78
2	A'	3257	2936	4.65
3	A'	1965	1771	334.79
4	A'	1611	1452	23.40
5	A'	1569	1414	27.77
6	A'	1311	1181	221.88
7	A'	1112	1003	56.44
8	A'	867	782	71.57
9	A'	612	552	39.98
10	A'	421	380	0.44
11	A"	3343	3014	15.89
12	A"	1612	1453	16.36
13	A"	1198	1080	14.14
14	A"	594	535	19.23
15	A"	141	127	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.211	0.000
C2	1.080	-0.847	0.000
O3	0.089	1.408	0.000
F4	-1.263	-0.370	0.000
H5	2.052	-0.369	0.000
H6	0.968	-1.474	0.880
H7	0.968	-1.474	-0.880

	C1	C2	O3	F4	H5	H6	H7
C1		1.5114	1.1995	1.3898	2.1323	2.1336	2.1336
C2	1.5114		2.4621	2.3902	1.0831	1.0869	1.0869
O3	1.1995	2.4621		2.2326	2.6476	3.1387	3.1387
F4	1.3898	2.3902	2.2326		3.3144	2.6398	2.6398
H5	2.1323	1.0831	2.6476	3.3144		1.7809	1.7809
H6	2.1336	1.0869	3.1387	2.6398	1.7809		1.7604
H7	2.1336	1.0869	3.1387	2.6398	1.7809	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.437	C1	C2	H6	109.306
C1	C2	H7	109.306	C2	C1	O3	130.168
C2	C1	F4	110.877	O3	C1	F4	118.954
H5	C2	H6	110.304	H5	C2	H7	110.304
H6	C2	H7	108.157

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	0.212
2	C	-0.235
3	O	-0.157
4	F	-0.284
5	H	0.158
6	H	0.153
7	H	0.153

	x	y	z	Total
	2.593	-2.935	0.000	3.917
CHELPG
AIM
ESP

	x	y	z
x	3.043	0.091	0.000
y	0.091	4.082	0.000
z	0.000	0.000	2.368

<r²>	58.912
(<r²>)^1/2	7.675

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)