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	hartrees
Energy at 0K	-253.001941
Energy at 298.15K	-253.005452
Nuclear repulsion energy	118.567301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3071	2.83
2	A'	3079	2951	0.24
3	A'	1949	1868	269.49
4	A'	1474	1413	12.86
5	A'	1406	1348	54.39
6	A'	1238	1187	206.63
7	A'	1012	970	25.83
8	A'	863	828	35.14
9	A'	601	576	18.72
10	A'	410	393	0.11
11	A"	3155	3024	1.40
12	A"	1481	1419	9.60
13	A"	1067	1023	11.16
14	A"	567	543	4.66
15	A"	132	126	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.186	0.000
C2	1.029	-0.899	0.000
O3	0.156	1.365	0.000
F4	-1.249	-0.345	0.000
H5	2.027	-0.464	0.000
H6	0.894	-1.533	0.881
H7	0.894	-1.533	-0.881

	C1	C2	O3	F4	H5	H6	H7
C1		1.4952	1.1892	1.3570	2.1290	2.1280	2.1280
C2	1.4952		2.4259	2.3445	1.0889	1.0936	1.0936
O3	1.1892	2.4259		2.2131	2.6162	3.1170	3.1170
F4	1.3570	2.3445	2.2131		3.2786	2.6034	2.6034
H5	2.1290	1.0889	2.6162	3.2786		1.7900	1.7900
H6	2.1280	1.0936	3.1170	2.6034	1.7900		1.7612
H7	2.1280	1.0936	3.1170	2.6034	1.7900	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.953	C1	C2	H6	109.591
C1	C2	H7	109.591	C2	C1	O3	128.945
C2	C1	F4	110.476	O3	C1	F4	120.579
H5	C2	H6	110.200	H5	C2	H7	110.200
H6	C2	H7	107.261

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

using model chemistry: B3PW91/6-31G**

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	0.595
2	C	-0.483
3	O	-0.390
4	F	-0.260
5	H	0.177
6	H	0.181
7	H	0.181

	x	y	z	Total
	1.418	-2.454	0.000	2.835
CHELPG
AIM
ESP

<r²>	67.810
(<r²>)^1/2	8.235

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

using model chemistry: B3PW91/6-31G**

States and conformations

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