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	hartrees
Energy at 0K	-252.430060
Energy at 298.15K
HF Energy	-251.801857
Nuclear repulsion energy	118.700329

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.185	0.000
C2	1.031	-0.898	0.000
O3	0.155	1.362	0.000
F4	-1.248	-0.346	0.000
H5	2.020	-0.458	0.000
H6	0.894	-1.524	0.878
H7	0.894	-1.524	-0.878

	C1	C2	O3	F4	H5	H6	H7
C1		1.4952	1.1876	1.3565	2.1203	2.1188	2.1188
C2	1.4952		2.4242	2.3448	1.0828	1.0871	1.0871
O3	1.1876	2.4242		2.2110	2.6067	3.1058	3.1058
F4	1.3565	2.3448	2.2110		3.2704	2.5970	2.5970
H5	2.1203	1.0828	2.6067	3.2704		1.7821	1.7821
H6	2.1188	1.0871	3.1058	2.5970	1.7821		1.7567
H7	2.1188	1.0871	3.1058	2.5970	1.7821	1.7567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.628	C1	C2	H6	109.256
C1	C2	H7	109.256	C2	C1	O3	128.916
C2	C1	F4	110.527	O3	C1	F4	120.557
H5	C2	H6	110.430	H5	C2	H7	110.430
H6	C2	H7	107.804

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

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

States and conformations

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