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	hartrees
Energy at 0K	-252.437303
Energy at 298.15K	-252.440850
HF Energy	-251.800289
Nuclear repulsion energy	118.224888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3077	2.41
2	A'	3160	2952	0.34
3	A'	1925	1798	204.16
4	A'	1532	1432	11.60
5	A'	1457	1362	38.91
6	A'	1259	1177	195.18
7	A'	1043	975	33.31
8	A'	865	808	46.29
9	A'	599	560	20.04
10	A'	416	389	0.12
11	A"	3253	3040	1.30
12	A"	1538	1437	8.00
13	A"	1099	1027	7.71
14	A"	572	534	6.48
15	A"	139	130	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.186	0.000
C2	1.045	-0.882	0.000
O3	0.135	1.375	0.000
F4	-1.246	-0.376	0.000
H5	2.029	-0.430	0.000
H6	0.916	-1.509	0.878
H7	0.916	-1.509	-0.878

	C1	C2	O3	F4	H5	H6	H7
C1		1.4935	1.1973	1.3663	2.1200	2.1174	2.1174
C2	1.4935		2.4333	2.3454	1.0827	1.0866	1.0866
O3	1.1973	2.4333		2.2300	2.6162	3.1148	3.1148
F4	1.3663	2.3454	2.2300		3.2747	2.5941	2.5941
H5	2.1200	1.0827	2.6162	3.2747		1.7811	1.7811
H6	2.1174	1.0866	3.1148	2.5941	1.7811		1.7552
H7	2.1174	1.0866	3.1148	2.5941	1.7811	1.7552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.729	C1	C2	H6	109.288
C1	C2	H7	109.288	C2	C1	O3	129.135
C2	C1	F4	110.117	O3	C1	F4	120.749
H5	C2	H6	110.379	H5	C2	H7	110.379
H6	C2	H7	107.740

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

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

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