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	hartrees
Energy at 0K	-178.573059
Energy at 298.15K
HF Energy	-178.085027
Nuclear repulsion energy	79.300372

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.555	0.000
C2	1.116	-0.459	0.000
F3	-1.225	-0.092	0.000
H4	0.066	1.193	0.883
H5	0.066	1.193	-0.883
H6	2.079	0.049	0.000
H7	1.058	-1.091	0.882
H8	1.058	-1.091	-0.882

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5080	1.3856	1.0913	1.0913	2.1399	2.1467	2.1467
C2	1.5080		2.3701	2.1471	2.1471	1.0886	1.0875	1.0875
F3	1.3856	2.3701		2.0245	2.0245	3.3074	2.6435	2.6435
H4	1.0913	2.1471	2.0245		1.7661	2.4780	2.4902	3.0526
H5	1.0913	2.1471	2.0245	1.7661		2.4780	3.0526	2.4902
H6	2.1399	1.0886	3.3074	2.4780	2.4780		1.7674	1.7674
H7	2.1467	1.0875	2.6435	2.4902	3.0526	1.7674		1.7649
H8	2.1467	1.0875	2.6435	3.0526	2.4902	1.7674	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.949	C1	C2	H7	110.558
C1	C2	H8	110.558	C2	C1	F3	109.910
C2	C1	H4	110.365	C2	C1	H5	110.365
F3	C1	H4	109.061	F3	C1	H5	109.061
H4	C1	H5	108.038	H6	C2	H7	108.622
H6	C2	H8	108.622	H7	C2	H8	108.475

All results from a given calculation for C₂H₅F (fluoroethane)

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 C2H5F (fluoroethane)

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

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)