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	hartrees
Energy at 0K	-251.843115
Energy at 298.15K	-251.846551
Nuclear repulsion energy	118.756783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3101	0.33
2	A'	2999	2966	0.31
3	A'	1920	1899	264.88
4	A'	1361	1346	14.95
5	A'	1315	1300	120.41
6	A'	1197	1183	154.61
7	A'	956	945	8.60
8	A'	858	849	43.89
9	A'	593	586	16.83
10	A'	396	392	0.12
11	A"	3082	3048	0.33
12	A"	1366	1351	12.60
13	A"	1002	991	12.53
14	A"	549	543	1.45
15	A"	122	121	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.183	0.000
C2	1.041	-0.868	0.000
O3	0.124	1.367	0.000
F4	-1.234	-0.375	0.000
H5	2.046	-0.413	0.000
H6	0.912	-1.519	0.888
H7	0.912	-1.519	-0.888

	C1	C2	O3	F4	H5	H6	H7
C1		1.4794	1.1905	1.3548	2.1312	2.1261	2.1261
C2	1.4794		2.4161	2.3277	1.1036	1.1090	1.1090
O3	1.1905	2.4161		2.2096	2.6197	3.1214	3.1214
F4	1.3548	2.3277	2.2096		3.2805	2.5891	2.5891
H5	2.1312	1.1036	2.6197	3.2805		1.8166	1.8166
H6	2.1261	1.1090	3.1214	2.5891	1.8166		1.7766
H7	2.1261	1.1090	3.1214	2.5891	1.8166	1.7766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.340	C1	C2	H6	109.616
C1	C2	H7	109.616	C2	C1	O3	129.307
C2	C1	F4	110.346	O3	C1	F4	120.347
H5	C2	H6	110.372	H5	C2	H7	110.372
H6	C2	H7	106.448

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

using model chemistry: LSDA/cc-pVDZ

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	0.089
2	C	-0.178
3	O	-0.122
4	F	-0.121
5	H	0.101
6	H	0.115
7	H	0.115

	x	y	z	Total
	1.462	-2.319	0.000	2.742
CHELPG
AIM
ESP

	x	y	z
x	3.684	-0.066	0.000
y	-0.066	4.399	0.000
z	0.000	0.000	2.739

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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