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	hartrees
Energy at 0K	-252.568776
Energy at 298.15K	-252.572332
HF Energy	-251.818277
Nuclear repulsion energy	118.906989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3078	1.01
2	A'	3129	2955	0.04
3	A'	1915	1808	210.83
4	A'	1495	1412	11.97
5	A'	1421	1342	43.83
6	A'	1247	1178	190.52
7	A'	1025	968	26.07
8	A'	872	824	35.74
9	A'	607	573	19.11
10	A'	412	389	0.02
11	A"	3219	3040	0.17
12	A"	1502	1419	7.61
13	A"	1081	1021	8.92
14	A"	580	548	4.69
15	A"	141	133	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.188	0.000
C2	1.022	-0.901	0.000
O3	0.158	1.366	0.000
F4	-1.241	-0.346	0.000
H5	2.018	-0.469	0.000
H6	0.880	-1.530	0.879
H7	0.880	-1.530	-0.879

	C1	C2	O3	F4	H5	H6	H7
C1		1.4935	1.1886	1.3512	2.1222	2.1208	2.1208
C2	1.4935		2.4263	2.3299	1.0859	1.0899	1.0899
O3	1.1886	2.4263		2.2109	2.6130	3.1113	3.1113
F4	1.3512	2.3299	2.2109		3.2614	2.5831	2.5831
H5	2.1222	1.0859	2.6130	3.2614		1.7869	1.7869
H6	2.1208	1.0899	3.1113	2.5831	1.7869		1.7582
H7	2.1208	1.0899	3.1113	2.5831	1.7869	1.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.715	C1	C2	H6	109.362
C1	C2	H7	109.362	C2	C1	O3	129.205
C2	C1	F4	109.883	O3	C1	F4	120.912
H5	C2	H6	110.419	H5	C2	H7	110.419
H6	C2	H7	107.524

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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