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	hartrees
Energy at 0K	-14.779150
Energy at 298.15K	-14.785067
HF Energy	-14.473414
Nuclear repulsion energy	26.387704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3029	2857	0.00
2	A_1g	1463	1380	0.00
3	A_1g	1016	958	0.00
4	A_1u	319	301	0.00
5	A_2u	3024	2852	66.56
6	A_2u	1432	1350	1.28
7	E_g	3093	2917	0.00
7	E_g	3093	2917	0.00
8	E_g	1523	1437	0.00
8	E_g	1523	1437	0.00
9	E_g	1237	1167	0.00
9	E_g	1237	1167	0.00
10	E_u	3116	2939	87.42
10	E_u	3116	2939	87.42
11	E_u	1531	1444	9.76
11	E_u	1531	1444	9.76
12	E_u	818	772	2.37
12	E_u	818	772	2.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.771
C2	0.000	0.000	-0.771
H3	0.000	1.025	1.166
H4	-0.888	-0.513	1.166
H5	0.888	-0.513	1.166
H6	0.000	-1.025	-1.166
H7	-0.888	0.513	-1.166
H8	0.888	0.513	-1.166

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5428	1.0986	1.0986	1.0986	2.1921	2.1921	2.1921
C2	1.5428		2.1921	2.1921	2.1921	1.0986	1.0986	1.0986
H3	1.0986	2.1921		1.7757	1.7757	3.1055	2.5477	2.5477
H4	1.0986	2.1921	1.7757		1.7757	2.5477	2.5477	3.1055
H5	1.0986	2.1921	1.7757	1.7757		2.5477	3.1055	2.5477
H6	2.1921	1.0986	3.1055	2.5477	2.5477		1.7757	1.7757
H7	2.1921	1.0986	2.5477	2.5477	3.1055	1.7757		1.7757
H8	2.1921	1.0986	2.5477	3.1055	2.5477	1.7757	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.059	C1	C2	H7	111.059
C1	C2	H8	111.059	C2	C1	H3	111.059
C2	C1	H4	111.059	C2	C1	H5	111.059
H3	C1	H4	107.838	H3	C1	H5	107.838
H4	C1	H5	107.838	H6	C2	H7	107.838
H6	C2	H8	107.838	H7	C2	H8	107.838

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD/CEP-121G*

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: CCSD/CEP-121G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)