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	hartrees
Energy at 0K	-79.421022
Energy at 298.15K	-79.426920
HF Energy	-79.203487
Nuclear repulsion energy	41.412203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	2965	2828
2	A_1g	1444	1378
3	A_1g	980	935
4	A_1u	309	295
5	A_2u	2958	2821
6	A_2u	1437	1371
7	E_g	3033	2893
7	E_g	3033	2893
8	E_g	1512	1442
8	E_g	1511	1441
9	E_g	1235	1178
9	E_g	1235	1178
10	E_u	3057	2915
10	E_u	3057	2915
11	E_u	1516	1446
11	E_u	1516	1446
12	E_u	829	791
12	E_u	829	791

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.783
C2	0.000	0.000	-0.783
H3	0.000	1.037	1.180
H4	-0.898	-0.518	1.180
H5	0.898	-0.518	1.180
H6	0.000	-1.037	-1.180
H7	-0.898	0.518	-1.180
H8	0.898	0.518	-1.180

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5667	1.1099	1.1099	1.1099	2.2201	2.2201	2.2201
C2	1.5667		2.2201	2.2201	2.2201	1.1099	1.1099	1.1099
H3	1.1099	2.2201		1.7955	1.7955	3.1412	2.5774	2.5774
H4	1.1099	2.2201	1.7955		1.7955	2.5774	2.5774	3.1412
H5	1.1099	2.2201	1.7955	1.7955		2.5774	3.1412	2.5774
H6	2.2201	1.1099	3.1412	2.5774	2.5774		1.7955	1.7955
H7	2.2201	1.1099	2.5774	2.5774	3.1412	1.7955		1.7955
H8	2.2201	1.1099	2.5774	3.1412	2.5774	1.7955	1.7955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.932	C1	C2	H7	110.932
C1	C2	H8	110.932	C2	C1	H3	110.932
C2	C1	H4	110.932	C2	C1	H5	110.932
H3	C1	H4	107.972	H3	C1	H5	107.972
H4	C1	H5	107.972	H6	C2	H7	107.972
H6	C2	H8	107.972	H7	C2	H8	107.972

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD(T)/SDD

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(T)/SDD

States and conformations

All results from a given calculation for C₂H₆ (Ethane)