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	hartrees
Energy at 0K	-79.674634
Energy at 298.15K
HF Energy	-79.259792
Nuclear repulsion energy	42.232242

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.765
C2	0.000	0.000	-0.765
H3	0.000	1.018	1.159
H4	-0.882	-0.509	1.159
H5	0.882	-0.509	1.159
H6	0.000	-1.018	-1.159
H7	-0.882	0.509	-1.159
H8	0.882	0.509	-1.159

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5298	1.0917	1.0917	1.0917	2.1769	2.1769	2.1769
C2	1.5298		2.1769	2.1769	2.1769	1.0917	1.0917	1.0917
H3	1.0917	2.1769		1.7632	1.7632	3.0856	2.5323	2.5323
H4	1.0917	2.1769	1.7632		1.7632	2.5323	2.5323	3.0856
H5	1.0917	2.1769	1.7632	1.7632		2.5323	3.0856	2.5323
H6	2.1769	1.0917	3.0856	2.5323	2.5323		1.7632	1.7632
H7	2.1769	1.0917	2.5323	2.5323	3.0856	1.7632		1.7632
H8	2.1769	1.0917	2.5323	3.0856	2.5323	1.7632	1.7632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.180	C1	C2	H7	111.180
C1	C2	H8	111.180	C2	C1	H3	111.180
C2	C1	H4	111.180	C2	C1	H5	111.180
H3	C1	H4	107.710	H3	C1	H5	107.710
H4	C1	H5	107.710	H6	C2	H7	107.710
H6	C2	H8	107.710	H7	C2	H8	107.710

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD(TQ)/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: QCISD(TQ)/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)