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	hartrees
Energy at 0K	-79.679981
Energy at 298.15K
HF Energy	-79.260223
Nuclear repulsion energy	42.204188

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.765
C2	0.000	0.000	-0.765
H3	0.000	1.019	1.160
H4	-0.882	-0.509	1.160
H5	0.882	-0.509	1.160
H6	0.000	-1.019	-1.160
H7	-0.882	0.509	-1.160
H8	0.882	0.509	-1.160

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5301	1.0926	1.0926	1.0926	2.1777	2.1777	2.1777
C2	1.5301		2.1777	2.1777	2.1777	1.0926	1.0926	1.0926
H3	1.0926	2.1777		1.7647	1.7647	3.0872	2.5331	2.5331
H4	1.0926	2.1777	1.7647		1.7647	2.5331	2.5331	3.0872
H5	1.0926	2.1777	1.7647	1.7647		2.5331	3.0872	2.5331
H6	2.1777	1.0926	3.0872	2.5331	2.5331		1.7647	1.7647
H7	2.1777	1.0926	2.5331	2.5331	3.0872	1.7647		1.7647
H8	2.1777	1.0926	2.5331	3.0872	2.5331	1.7647	1.7647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.170	C1	C2	H7	111.170
C1	C2	H8	111.170	C2	C1	H3	111.170
C2	C1	H4	111.170	C2	C1	H5	111.170
H3	C1	H4	107.721	H3	C1	H5	107.721
H4	C1	H5	107.721	H6	C2	H7	107.721
H6	C2	H8	107.721	H7	C2	H8	107.721

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP4/daug-cc-pVTZ

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 C2H6 (Ethane)

using model chemistry: MP4/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)