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	hartrees
Energy at 0K	-252.761613
Energy at 298.15K	-252.765188
HF Energy	-251.895531
Nuclear repulsion energy	119.153971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3072	1.29
2	A'	3124	2966	0.09
3	A'	1914	1817	236.05
4	A'	1497	1421	13.43
5	A'	1420	1348	43.73
6	A'	1229	1167	199.29
7	A'	1024	972	29.92
8	A'	860	816	58.72
9	A'	611	580	18.36
10	A'	421	400	0.06
11	A"	3195	3033	0.41
12	A"	1507	1431	8.01
13	A"	1080	1025	8.25
14	A"	585	555	4.87
15	A"	141	134	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.185	0.000
C2	1.040	-0.872	0.000
O3	0.128	1.363	0.000
F4	-1.234	-0.374	0.000
H5	2.019	-0.419	0.000
H6	0.911	-1.499	0.875
H7	0.911	-1.499	-0.875

	C1	C2	O3	F4	H5	H6	H7
C1		1.4830	1.1851	1.3548	2.1077	2.1051	2.1051
C2	1.4830		2.4143	2.3273	1.0794	1.0836	1.0836
O3	1.1851	2.4143		2.2079	2.5987	3.0936	3.0936
F4	1.3548	2.3273	2.2079		3.2533	2.5750	2.5750
H5	2.1077	1.0794	2.5987	3.2533		1.7772	1.7772
H6	2.1051	1.0836	3.0936	2.5750	1.7772		1.7497
H7	2.1051	1.0836	3.0936	2.5750	1.7772	1.7497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.684	C1	C2	H6	109.223
C1	C2	H7	109.223	C2	C1	O3	129.282
C2	C1	F4	110.108	O3	C1	F4	120.609
H5	C2	H6	110.500	H5	C2	H7	110.500
H6	C2	H7	107.670

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

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

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