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	hartrees
Energy at 0K	-253.062031
Energy at 298.15K	-253.065409
Nuclear repulsion energy	116.579754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3098	3082	3.85
2	A'	2989	2973	0.47
3	A'	1832	1823	286.27
4	A'	1437	1429	15.84
5	A'	1363	1356	28.13
6	A'	1130	1124	176.35
7	A'	962	957	58.93
8	A'	763	759	95.20
9	A'	558	555	14.40
10	A'	397	395	0.39
11	A"	3051	3035	1.44
12	A"	1442	1434	10.21
13	A"	1033	1028	7.61
14	A"	540	537	4.68
15	A"	123	123	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.193	0.000
C2	1.119	-0.816	0.000
O3	0.039	1.394	0.000
F4	-1.243	-0.464	0.000
H5	2.087	-0.299	0.000
H6	1.034	-1.464	0.887
H7	1.034	-1.464	-0.887

	C1	C2	O3	F4	H5	H6	H7
C1		1.5072	1.2014	1.4059	2.1438	2.1447	2.1447
C2	1.5072		2.4598	2.3882	1.0968	1.1014	1.1014
O3	1.2014	2.4598		2.2575	2.6565	3.1528	3.1528
F4	1.4059	2.3882	2.2575		3.3334	2.6397	2.6397
H5	2.1438	1.0968	2.6565	3.3334		1.8030	1.8030
H6	2.1447	1.1014	3.1528	2.6397	1.8030		1.7741
H7	2.1447	1.1014	3.1528	2.6397	1.8030	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.825	C1	C2	H6	109.624
C1	C2	H7	109.624	C2	C1	O3	130.163
C2	C1	F4	110.084	O3	C1	F4	119.752
H5	C2	H6	110.216	H5	C2	H7	110.216
H6	C2	H7	107.296

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

using model chemistry: BLYP/6-31+G**

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	0.502
2	C	-0.449
3	O	-0.354
4	F	-0.263
5	H	0.185
6	H	0.190
7	H	0.190

	x	y	z	Total
	2.140	-2.282	0.000	3.128
CHELPG
AIM
ESP

<r²>	70.317
(<r²>)^1/2	8.386

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

using model chemistry: BLYP/6-31+G**

States and conformations

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