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	hartrees
Energy at 0K	-79.585918
Energy at 298.15K	-79.591870
HF Energy	-79.241706
Nuclear repulsion energy	42.336761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3138	3138	0.00
2	A_1g	1484	1484	0.00
3	A_1g	1041	1041	0.00
4	A_1u	319	319	0.00
5	A_2u	3136	3136	45.25
6	A_2u	1460	1460	0.65
7	E_g	3201	3201	0.00
7	E_g	3201	3201	0.00
8	E_g	1561	1561	0.00
8	E_g	1561	1561	0.00
9	E_g	1266	1266	0.00
9	E_g	1266	1266	0.00
10	E_u	3223	3223	52.92
10	E_u	3223	3223	52.92
11	E_u	1564	1564	6.64
11	E_u	1564	1564	6.64
12	E_u	845	845	3.68
12	E_u	845	845	3.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.763
C2	0.000	0.000	-0.763
H3	0.000	1.015	1.157
H4	-0.879	-0.507	1.157
H5	0.879	-0.507	1.157
H6	0.000	-1.015	-1.157
H7	-0.879	0.507	-1.157
H8	0.879	0.507	-1.157

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5261	1.0885	1.0885	1.0885	2.1716	2.1716	2.1716
C2	1.5261		2.1716	2.1716	2.1716	1.0885	1.0885	1.0885
H3	1.0885	2.1716		1.7576	1.7576	3.0776	2.5264	2.5264
H4	1.0885	2.1716	1.7576		1.7576	2.5264	2.5264	3.0776
H5	1.0885	2.1716	1.7576	1.7576		2.5264	3.0776	2.5264
H6	2.1716	1.0885	3.0776	2.5264	2.5264		1.7576	1.7576
H7	2.1716	1.0885	2.5264	2.5264	3.0776	1.7576		1.7576
H8	2.1716	1.0885	2.5264	3.0776	2.5264	1.7576	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.210	C1	C2	H7	111.210
C1	C2	H8	111.210	C2	C1	H3	111.210
C2	C1	H4	111.210	C2	C1	H5	111.210
H3	C1	H4	107.678	H3	C1	H5	107.678
H4	C1	H5	107.678	H6	C2	H7	107.678
H6	C2	H8	107.678	H7	C2	H8	107.678

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CISD/6-31G(2df,p)

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: CISD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₆ (Ethane)