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	hartrees
Energy at 0K	-79.629167
Energy at 298.15K	-79.635082
HF Energy	-79.241478
Nuclear repulsion energy	42.149813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3075	3075
2	A_1g	1445	1445
3	A_1g	1018	1018
4	A_1u	311	311
5	A_2u	3074	3074
6	A_2u	1424	1424
7	E_g	3140	3140
7	E_g	3140	3140
8	E_g	1527	1527
8	E_g	1527	1527
9	E_g	1233	1233
9	E_g	1233	1233
10	E_u	3162	3162
10	E_u	3162	3162
11	E_u	1531	1531
11	E_u	1530	1530
12	E_u	825	825
12	E_u	825	825

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.766
C2	0.000	0.000	-0.766
H3	0.000	1.020	1.162
H4	-0.883	-0.510	1.162
H5	0.883	-0.510	1.162
H6	0.000	-1.020	-1.162
H7	-0.883	0.510	-1.162
H8	0.883	0.510	-1.162

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5324	1.0937	1.0937	1.0937	2.1809	2.1809	2.1809
C2	1.5324		2.1809	2.1809	2.1809	1.0937	1.0937	1.0937
H3	1.0937	2.1809		1.7663	1.7663	3.0913	2.5370	2.5370
H4	1.0937	2.1809	1.7663		1.7663	2.5370	2.5370	3.0913
H5	1.0937	2.1809	1.7663	1.7663		2.5370	3.0913	2.5370
H6	2.1809	1.0937	3.0913	2.5370	2.5370		1.7663	1.7663
H7	2.1809	1.0937	2.5370	2.5370	3.0913	1.7663		1.7663
H8	2.1809	1.0937	2.5370	3.0913	2.5370	1.7663	1.7663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.189	C1	C2	H7	111.189
C1	C2	H8	111.189	C2	C1	H3	111.189
C2	C1	H4	111.189	C2	C1	H5	111.189
H3	C1	H4	107.700	H3	C1	H5	107.700
H4	C1	H5	107.700	H6	C2	H7	107.700
H6	C2	H8	107.700	H7	C2	H8	107.700

All results from a given calculation for C₂H₆ (Ethane)

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

States and conformations

All results from a given calculation for C₂H₆ (Ethane)