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	hartrees
Energy at 0K	-252.724798
Energy at 298.15K	-252.728331
HF Energy	-251.898130
Nuclear repulsion energy	118.611820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3075	1.22
2	A'	3100	2954	0.06
3	A'	1883	1794	253.37
4	A'	1491	1421	14.21
5	A'	1416	1349	33.79
6	A'	1206	1150	197.38
7	A'	1018	970	37.32
8	A'	840	800	73.89
9	A'	598	570	18.21
10	A'	415	396	0.09
11	A"	3186	3036	0.23
12	A"	1501	1430	7.95
13	A"	1078	1028	7.22
14	A"	572	545	5.36
15	A"	133	127	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.186	0.000
C2	1.049	-0.873	0.000
O3	0.122	1.369	0.000
F4	-1.238	-0.379	0.000
H5	2.030	-0.414	0.000
H6	0.923	-1.502	0.878
H7	0.923	-1.502	-0.878

	C1	C2	O3	F4	H5	H6	H7
C1		1.4904	1.1892	1.3609	2.1168	2.1150	2.1150
C2	1.4904		2.4258	2.3402	1.0836	1.0880	1.0880
O3	1.1892	2.4258		2.2144	2.6111	3.1075	3.1075
F4	1.3609	2.3402	2.2144		3.2688	2.5895	2.5895
H5	2.1168	1.0836	2.6111	3.2688		1.7843	1.7843
H6	2.1150	1.0880	3.1075	2.5895	1.7843		1.7568
H7	2.1150	1.0880	3.1075	2.5895	1.7843	1.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.642	C1	C2	H6	109.232
C1	C2	H7	109.232	C2	C1	O3	129.377
C2	C1	F4	110.235	O3	C1	F4	120.388
H5	C2	H6	110.507	H5	C2	H7	110.507
H6	C2	H7	107.682

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

using model chemistry: MP2/aug-cc-pVTZ

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-pVTZ

States and conformations

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