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	hartrees
Energy at 0K	-52.614740
Energy at 298.15K	-52.618121
HF Energy	-52.187993
Nuclear repulsion energy	63.124319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3072	6.59
2	A'	3012	2940	2.32
3	A'	1731	1690	180.35
4	A'	1510	1473	21.40
5	A'	1458	1423	23.25
6	A'	1171	1143	119.36
7	A'	983	960	75.24
8	A'	711	694	131.20
9	A'	527	515	19.28
10	A'	384	375	1.92
11	A"	3122	3047	4.68
12	A"	1499	1463	13.10
13	A"	1097	1070	6.06
14	A"	515	502	8.29
15	A"	140	137	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.204	0.000
C2	1.231	-0.694	0.000
O3	-0.126	1.430	0.000
F4	-1.214	-0.639	0.000
H5	2.134	-0.073	0.000
H6	1.206	-1.339	0.890
H7	1.206	-1.339	-0.890

	C1	C2	O3	F4	H5	H6	H7
C1		1.5240	1.2322	1.4783	2.1518	2.1514	2.1514
C2	1.5240		2.5207	2.4451	1.0966	1.0993	1.0993
O3	1.2322	2.5207		2.3382	2.7138	3.1989	3.1989
F4	1.4783	2.4451	2.3382		3.3954	2.6717	2.6717
H5	2.1518	1.0966	2.7138	3.3954		1.8045	1.8045
H6	2.1514	1.0993	3.1989	2.6717	1.8045		1.7808
H7	2.1514	1.0993	3.1989	2.6717	1.8045	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.311	C1	C2	H6	109.123
C1	C2	H7	109.123	C2	C1	O3	132.000
C2	C1	F4	109.051	O3	C1	F4	118.949
H5	C2	H6	110.528	H5	C2	H7	110.528
H6	C2	H7	108.196

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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