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	hartrees
Energy at 0K	-79.588235
Energy at 298.15K	-79.594174
HF Energy	-79.238572
Nuclear repulsion energy	42.194567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3084	2896
2	A_1g	1470	1380
3	A_1g	1025	963
4	A_1u	324	304
5	A_2u	3081	2893
6	A_2u	1443	1355
7	E_g	3150	2958
7	E_g	3150	2958
8	E_g	1536	1442
8	E_g	1535	1441
9	E_g	1251	1175
9	E_g	1251	1175
10	E_u	3172	2978
10	E_u	3172	2978
11	E_u	1540	1446
11	E_u	1539	1445
12	E_u	833	782
12	E_u	833	782

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.766
C2	0.000	0.000	-0.766
H3	0.000	1.019	1.159
H4	-0.883	-0.510	1.159
H5	0.883	-0.510	1.159
H6	0.000	-1.019	-1.159
H7	-0.883	0.510	-1.159
H8	0.883	0.510	-1.159

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5310	1.0926	1.0926	1.0926	2.1780	2.1780	2.1780
C2	1.5310		2.1780	2.1780	2.1780	1.0926	1.0926	1.0926
H3	1.0926	2.1780		1.7653	1.7653	3.0872	2.5327	2.5327
H4	1.0926	2.1780	1.7653		1.7653	2.5327	2.5327	3.0872
H5	1.0926	2.1780	1.7653	1.7653		2.5327	3.0872	2.5327
H6	2.1780	1.0926	3.0872	2.5327	2.5327		1.7653	1.7653
H7	2.1780	1.0926	2.5327	2.5327	3.0872	1.7653		1.7653
H8	2.1780	1.0926	2.5327	3.0872	2.5327	1.7653	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.125	C1	C2	H7	111.125
C1	C2	H8	111.125	C2	C1	H3	111.125
C2	C1	H4	111.125	C2	C1	H5	111.125
H3	C1	H4	107.768	H3	C1	H5	107.768
H4	C1	H5	107.768	H6	C2	H7	107.768
H6	C2	H8	107.768	H7	C2	H8	107.768

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD(T)/6-31+G**

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)/6-31+G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)