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	hartrees
Energy at 0K	-79.616118
Energy at 298.15K	-79.622053
HF Energy	-79.251188
Nuclear repulsion energy	42.050918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3041	3041
2	A_1g	1444	1444
3	A_1g	1018	1018
4	A_1u	326	326
5	A_2u	3038	3038
6	A_2u	1416	1416
7	E_g	3099	3099
7	E_g	3099	3099
8	E_g	1511	1511
8	E_g	1511	1511
9	E_g	1235	1235
9	E_g	1235	1235
10	E_u	3122	3122
10	E_u	3122	3122
11	E_u	1516	1516
11	E_u	1515	1515
12	E_u	826	826
12	E_u	826	826

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.767
C2	0.000	0.000	-0.767
H3	0.000	1.024	1.162
H4	-0.887	-0.512	1.162
H5	0.887	-0.512	1.162
H6	0.000	-1.024	-1.162
H7	-0.887	0.512	-1.162
H8	0.887	0.512	-1.162

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5350	1.0972	1.0972	1.0972	2.1844	2.1844	2.1844
C2	1.5350		2.1844	2.1844	2.1844	1.0972	1.0972	1.0972
H3	1.0972	2.1844		1.7732	1.7732	3.0975	2.5397	2.5397
H4	1.0972	2.1844	1.7732		1.7732	2.5397	2.5397	3.0975
H5	1.0972	2.1844	1.7732	1.7732		2.5397	3.0975	2.5397
H6	2.1844	1.0972	3.0975	2.5397	2.5397		1.7732	1.7732
H7	2.1844	1.0972	2.5397	2.5397	3.0975	1.7732		1.7732
H8	2.1844	1.0972	2.5397	3.0975	2.5397	1.7732	1.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.081	C1	C2	H7	111.081
C1	C2	H8	111.081	C2	C1	H3	111.081
C2	C1	H4	111.081	C2	C1	H5	111.081
H3	C1	H4	107.814	H3	C1	H5	107.814
H4	C1	H5	107.814	H6	C2	H7	107.814
H6	C2	H8	107.814	H7	C2	H8	107.814

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD(TQ)/6-311G**

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)/6-311G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)