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	hartrees
Energy at 0K	-252.462465
Energy at 298.15K	-252.466034
HF Energy	-251.810553
Nuclear repulsion energy	118.582485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3059	2.50
2	A'	3158	2942	0.55
3	A'	1984	1849	297.11
4	A'	1529	1424	12.57
5	A'	1466	1365	36.49
6	A'	1258	1172	223.21
7	A'	1050	978	35.26
8	A'	871	812	58.25
9	A'	609	567	23.33
10	A'	422	393	0.12
11	A"	3242	3021	1.50
12	A"	1529	1425	8.65
13	A"	1104	1028	6.82
14	A"	581	541	9.19
15	A"	137	127	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.184	0.000
C2	1.050	-0.879	0.000
O3	0.127	1.365	0.000
F4	-1.244	-0.369	0.000
H5	2.030	-0.419	0.000
H6	0.924	-1.506	0.878
H7	0.924	-1.506	-0.878

	C1	C2	O3	F4	H5	H6	H7
C1		1.4939	1.1875	1.3610	2.1175	2.1171	2.1171
C2	1.4939		2.4259	2.3495	1.0824	1.0866	1.0866
O3	1.1875	2.4259		2.2098	2.6084	3.1062	3.1062
F4	1.3610	2.3495	2.2098		3.2738	2.6009	2.6009
H5	2.1175	1.0824	2.6084	3.2738		1.7818	1.7818
H6	2.1171	1.0866	3.1062	2.6009	1.7818		1.7567
H7	2.1171	1.0866	3.1062	2.6009	1.7818	1.7567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.526	C1	C2	H6	109.237
C1	C2	H7	109.237	C2	C1	O3	129.219
C2	C1	F4	110.682	O3	C1	F4	120.099
H5	C2	H6	110.467	H5	C2	H7	110.467
H6	C2	H7	107.873

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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