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	hartrees
Energy at 0K	-252.704710
Energy at 298.15K	-252.708255
HF Energy	-251.894963
Nuclear repulsion energy	118.771368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3069	1.43
2	A'	3107	2950	0.13
3	A'	1900	1804	232.89
4	A'	1486	1411	13.05
5	A'	1411	1340	41.74
6	A'	1223	1161	199.32
7	A'	1019	967	31.51
8	A'	853	810	57.30
9	A'	605	575	18.36
10	A'	417	396	0.07
11	A"	3191	3030	0.55
12	A"	1496	1420	7.72
13	A"	1075	1021	7.84
14	A"	576	547	4.92
15	A"	134	127	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.186	0.000
C2	1.039	-0.883	0.000
O3	0.136	1.367	0.000
F4	-1.240	-0.367	0.000
H5	2.024	-0.434	0.000
H6	0.908	-1.511	0.877
H7	0.908	-1.511	-0.877

	C1	C2	O3	F4	H5	H6	H7
C1		1.4903	1.1883	1.3578	2.1169	2.1154	2.1154
C2	1.4903		2.4235	2.3364	1.0829	1.0871	1.0871
O3	1.1883	2.4235		2.2133	2.6087	3.1059	3.1059
F4	1.3578	2.3364	2.2133		3.2649	2.5871	2.5871
H5	2.1169	1.0829	2.6087	3.2649		1.7823	1.7823
H6	2.1154	1.0871	3.1059	2.5871	1.7823		1.7544
H7	2.1154	1.0871	3.1059	2.5871	1.7823	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.693	C1	C2	H6	109.320
C1	C2	H7	109.320	C2	C1	O3	129.235
C2	C1	F4	110.151	O3	C1	F4	120.614
H5	C2	H6	110.441	H5	C2	H7	110.441
H6	C2	H7	107.588

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

using model chemistry: MP2/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/cc-pVTZ

States and conformations

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