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	hartrees
Energy at 0K	-252.567988
Energy at 298.15K	-252.571562
Nuclear repulsion energy	118.625739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3051	4.92
2	A'	3083	2942	1.31
3	A'	1945	1856	260.63
4	A'	1493	1425	10.94
5	A'	1434	1368	40.21
6	A'	1244	1187	206.21
7	A'	1031	983	34.33
8	A'	863	823	46.44
9	A'	611	583	22.09
10	A'	417	398	0.09
11	A"	3158	3013	4.14
12	A"	1501	1432	7.83
13	A"	1086	1036	7.43
14	A"	578	552	7.78
15	A"	144	138	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.189	0.000
C2	1.027	-0.907	0.000
O3	0.160	1.363	0.000
F4	-1.248	-0.339	0.000
H5	2.028	-0.474	0.000
H6	0.882	-1.535	0.884
H7	0.882	-1.535	-0.884

	C1	C2	O3	F4	H5	H6	H7
C1		1.5025	1.1842	1.3555	2.1340	2.1290	2.1290
C2	1.5025		2.4298	2.3457	1.0902	1.0941	1.0941
O3	1.1842	2.4298		2.2086	2.6202	3.1143	3.1143
F4	1.3555	2.3457	2.2086		3.2794	2.5984	2.5984
H5	2.1340	1.0902	2.6202	3.2794		1.7942	1.7942
H6	2.1290	1.0941	3.1143	2.5984	1.7942		1.7683
H7	2.1290	1.0941	3.1143	2.5984	1.7942	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.770	C1	C2	H6	109.144
C1	C2	H7	109.144	C2	C1	O3	129.101
C2	C1	F4	110.214	O3	C1	F4	120.685
H5	C2	H6	110.458	H5	C2	H7	110.458
H6	C2	H7	107.825

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

using model chemistry: QCISD/6-311G**

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

using model chemistry: QCISD/6-311G**

States and conformations

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