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	hartrees
Energy at 0K	-252.509116
Energy at 298.15K	-252.512609
Nuclear repulsion energy	117.365942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3092	2.09
2	A'	3094	2967	0.26
3	A'	1868	1791	244.27
4	A'	1459	1399	13.08
5	A'	1390	1333	33.98
6	A'	1180	1131	185.11
7	A'	1002	961	30.21
8	A'	808	774	98.04
9	A'	582	558	18.37
10	A'	409	392	0.21
11	A"	3186	3056	0.70
12	A"	1467	1407	7.29
13	A"	1057	1014	6.58
14	A"	561	538	5.72
15	A"	136	131	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.190	0.000
C2	1.098	-0.830	0.000
O3	0.059	1.387	0.000
F4	-1.235	-0.444	0.000
H5	2.070	-0.324	0.000
H6	0.995	-1.469	0.889
H7	0.995	-1.469	-0.889

	C1	C2	O3	F4	H5	H6	H7
C1		1.4989	1.1977	1.3888	2.1328	2.1293	2.1293
C2	1.4989		2.4481	2.3651	1.0958	1.0995	1.0995
O3	1.1977	2.4481		2.2421	2.6400	3.1340	3.1340
F4	1.3888	2.3651	2.2421		3.3075	2.6104	2.6104
H5	2.1328	1.0958	2.6400	3.3075		1.8049	1.8049
H6	2.1293	1.0995	3.1340	2.6104	1.8049		1.7771
H7	2.1293	1.0995	3.1340	2.6104	1.8049	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.589	C1	C2	H6	109.089
C1	C2	H7	109.089	C2	C1	O3	130.077
C2	C1	F4	109.917	O3	C1	F4	120.006
H5	C2	H6	110.603	H5	C2	H7	110.603
H6	C2	H7	107.825

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

using model chemistry: MP2/aug-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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All results from a given calculation for CH3COF (Acetyl fluoride)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

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