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	hartrees
Energy at 0K
Energy at 298.15K	-0.095977
HF Energy	-0.095977
Nuclear repulsion energy	66.262912

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.540	0.000
C2	1.121	-0.489	0.000
F3	-1.228	-0.046	0.000
H4	0.040	1.184	0.893
H5	0.040	1.184	-0.893
H6	2.095	0.014	0.000
H7	1.076	-1.137	0.884
H8	1.076	-1.137	-0.884

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5213	1.3602	1.1023	1.1023	2.1596	2.1796	2.1796
C2	1.5213		2.3898	2.1829	2.1829	1.0961	1.0971	1.0971
F3	1.3602	2.3898		1.9795	1.9795	3.3228	2.6979	2.6979
H4	1.1023	2.1829	1.9795		1.7868	2.5275	2.5418	3.1017
H5	1.1023	2.1829	1.9795	1.7868		2.5275	3.1017	2.5418
H6	2.1596	1.0961	3.3228	2.5275	2.5275		1.7733	1.7733
H7	2.1796	1.0971	2.6979	2.5418	3.1017	1.7733		1.7681
H8	2.1796	1.0971	2.6979	3.1017	2.5418	1.7733	1.7681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.136	C1	C2	H7	111.674
C1	C2	H8	111.674	C2	C1	F3	111.948
C2	C1	H4	111.622	C2	C1	H5	111.622
F3	C1	H4	106.534	F3	C1	H5	106.534
H4	C1	H5	108.290	H6	C2	H7	107.905
H6	C2	H8	107.905	H7	C2	H8	107.378

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: PM3

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 C2H5F (fluoroethane)

using model chemistry: PM3

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)