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	hartrees
Energy at 0K	-79.597960
Energy at 298.15K
HF Energy	-79.236776
Nuclear repulsion energy	41.831208

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.770
C2	0.000	0.000	-0.770
H3	0.000	1.030	1.169
H4	-0.892	-0.515	1.169
H5	0.892	-0.515	1.169
H6	0.000	-1.030	-1.169
H7	-0.892	0.515	-1.169
H8	0.892	0.515	-1.169

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5401	1.1044	1.1044	1.1044	2.1953	2.1953	2.1953
C2	1.5401		2.1953	2.1953	2.1953	1.1044	1.1044	1.1044
H3	1.1044	2.1953		1.7840	1.7840	3.1155	2.5541	2.5541
H4	1.1044	2.1953	1.7840		1.7840	2.5541	2.5541	3.1155
H5	1.1044	2.1953	1.7840	1.7840		2.5541	3.1155	2.5541
H6	2.1953	1.1044	3.1155	2.5541	2.5541		1.7840	1.7840
H7	2.1953	1.1044	2.5541	2.5541	3.1155	1.7840		1.7840
H8	2.1953	1.1044	2.5541	3.1155	2.5541	1.7840	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.154	C1	C2	H7	111.154
C1	C2	H8	111.154	C2	C1	H3	111.154
C2	C1	H4	111.154	C2	C1	H5	111.154
H3	C1	H4	107.737	H3	C1	H5	107.737
H4	C1	H5	107.737	H6	C2	H7	107.737
H6	C2	H8	107.737	H7	C2	H8	107.737

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP4/daug-cc-pVDZ

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-pVDZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)