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	hartrees
Energy at 0K	-79.630344
Energy at 298.15K	-79.636290
HF Energy	-79.260510
Nuclear repulsion energy	42.428173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3109	3109	0.00
2	A_1g	1475	1475	0.00
3	A_1g	1038	1038	0.00
4	A_1u	317	317	0.00
5	A_2u	3108	3108	53.50
6	A_2u	1454	1454	0.82
7	E_g	3165	3165	0.00
7	E_g	3165	3165	0.00
8	E_g	1555	1555	0.00
8	E_g	1555	1555	0.00
9	E_g	1264	1264	0.00
9	E_g	1264	1264	0.00
10	E_u	3189	3189	61.01
10	E_u	3189	3189	61.01
11	E_u	1557	1557	8.10
11	E_u	1557	1557	8.11
12	E_u	846	846	2.71
12	E_u	846	846	2.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.761
C2	0.000	0.000	-0.761
H3	0.000	1.013	1.154
H4	-0.877	-0.506	1.154
H5	0.877	-0.506	1.154
H6	0.000	-1.013	-1.154
H7	-0.877	0.506	-1.154
H8	0.877	0.506	-1.154

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5227	1.0863	1.0863	1.0863	2.1665	2.1665	2.1665
C2	1.5227		2.1665	2.1665	2.1665	1.0863	1.0863	1.0863
H3	1.0863	2.1665		1.7544	1.7544	3.0707	2.5202	2.5202
H4	1.0863	2.1665	1.7544		1.7544	2.5202	2.5202	3.0707
H5	1.0863	2.1665	1.7544	1.7544		2.5202	3.0707	2.5202
H6	2.1665	1.0863	3.0707	2.5202	2.5202		1.7544	1.7544
H7	2.1665	1.0863	2.5202	2.5202	3.0707	1.7544		1.7544
H8	2.1665	1.0863	2.5202	3.0707	2.5202	1.7544	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.181	C1	C2	H7	111.181
C1	C2	H8	111.181	C2	C1	H3	111.181
C2	C1	H4	111.181	C2	C1	H5	111.181
H3	C1	H4	107.709	H3	C1	H5	107.709
H4	C1	H5	107.708	H6	C2	H7	107.709
H6	C2	H8	107.709	H7	C2	H8	107.708

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CISD/daug-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: CISD/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)