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	hartrees
Energy at 0K	-252.441426
Energy at 298.15K
HF Energy	-251.808010
Nuclear repulsion energy	117.709926

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.188	0.000
C2	1.092	-0.831	0.000
O3	0.064	1.385	0.000
F4	-1.233	-0.440	0.000
H5	2.054	-0.332	0.000
H6	0.990	-1.464	0.880
H7	0.990	-1.464	-0.880

	C1	C2	O3	F4	H5	H6	H7
C1		1.4938	1.1985	1.3841	2.1193	2.1176	2.1176
C2	1.4938		2.4430	2.3572	1.0847	1.0883	1.0883
O3	1.1985	2.4430		2.2395	2.6286	3.1221	3.1221
F4	1.3841	2.3572	2.2395		3.2893	2.6009	2.6009
H5	2.1193	1.0847	2.6286	3.2893		1.7852	1.7852
H6	2.1176	1.0883	3.1221	2.6009	1.7852		1.7600
H7	2.1176	1.0883	3.1221	2.6009	1.7852	1.7600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.536	C1	C2	H6	109.187
C1	C2	H7	109.187	C2	C1	O3	129.984
C2	C1	F4	109.928	O3	C1	F4	120.088
H5	C2	H6	110.484	H5	C2	H7	110.484
H6	C2	H7	107.926

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

using model chemistry: MP2/6-31+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: MP2/6-31+G**

States and conformations

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