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	hartrees
Energy at 0K	-251.816927
Energy at 298.15K	-251.820638
Nuclear repulsion energy	120.180255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3030	4.81
2	A'	3211	2915	1.61
3	A'	2113	1919	405.24
4	A'	1563	1420	12.74
5	A'	1525	1384	59.62
6	A'	1342	1219	251.87
7	A'	1100	999	31.75
8	A'	929	844	41.50
9	A'	658	597	31.36
10	A'	441	401	0.01
11	A"	3288	2986	4.33
12	A"	1574	1429	7.82
13	A"	1167	1060	14.77
14	A"	631	573	12.92
15	A"	150	137	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.185	0.000
C2	0.994	-0.929	0.000
O3	0.193	1.335	0.000
F4	-1.242	-0.288	0.000
H5	2.000	-0.522	0.000
H6	0.834	-1.552	0.881
H7	0.834	-1.552	-0.881

	C1	C2	O3	F4	H5	H6	H7
C1		1.4928	1.1657	1.3287	2.1212	2.1183	2.1183
C2	1.4928		2.4010	2.3259	1.0855	1.0902	1.0902
O3	1.1657	2.4010		2.1657	2.5905	3.0849	3.0849
F4	1.3287	2.3259	2.1657		3.2504	2.5852	2.5852
H5	2.1212	1.0855	2.5905	3.2504		1.7876	1.7876
H6	2.1183	1.0902	3.0849	2.5852	1.7876		1.7611
H7	2.1183	1.0902	3.0849	2.5852	1.7876	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.704	C1	C2	H6	109.189
C1	C2	H7	109.189	C2	C1	O3	128.726
C2	C1	F4	110.912	O3	C1	F4	120.362
H5	C2	H6	110.489	H5	C2	H7	110.489
H6	C2	H7	107.740

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

using model chemistry: HF/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	CHELPG
1	C	0.382	0.887
2	C	-0.062	-0.415
3	O	-0.279	-0.543
4	F	-0.269	-0.313
5	H	0.073	0.117
6	H	0.077	0.133
7	H	0.077	0.133

	x	y	z	Total
	1.557	-2.656	0.000	3.079
CHELPG
AIM
ESP

	x	y	z
x	3.190	0.055	0.000
y	0.055	3.938	0.000
z	0.000	0.000	2.563

<r²>	66.876
(<r²>)^1/2	8.178

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

using model chemistry: HF/cc-pVDZ

States and conformations

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