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	hartrees
Energy at 0K	-79.585584
Energy at 298.15K	-79.591533
HF Energy	-79.238079
Nuclear repulsion energy	42.234654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3095	2901
2	A_1g	1479	1386
3	A_1g	1032	967
4	A_1u	329	308
5	A_2u	3093	2899
6	A_2u	1450	1359
7	E_g	3163	2965
7	E_g	3163	2965
8	E_g	1552	1455
8	E_g	1551	1454
9	E_g	1260	1181
9	E_g	1260	1181
10	E_u	3184	2985
10	E_u	3184	2985
11	E_u	1558	1460
11	E_u	1557	1459
12	E_u	837	785
12	E_u	837	784

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.764
C2	0.000	0.000	-0.764
H3	0.000	1.018	1.158
H4	-0.882	-0.509	1.158
H5	0.882	-0.509	1.158
H6	0.000	-1.018	-1.158
H7	-0.882	0.509	-1.158
H8	0.882	0.509	-1.158

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5290	1.0918	1.0918	1.0918	2.1758	2.1758	2.1758
C2	1.5290		2.1758	2.1758	2.1758	1.0918	1.0918	1.0918
H3	1.0918	2.1758		1.7638	1.7638	3.0847	2.5306	2.5306
H4	1.0918	2.1758	1.7638		1.7638	2.5306	2.5306	3.0847
H5	1.0918	2.1758	1.7638	1.7638		2.5306	3.0847	2.5306
H6	2.1758	1.0918	3.0847	2.5306	2.5306		1.7638	1.7638
H7	2.1758	1.0918	2.5306	2.5306	3.0847	1.7638		1.7638
H8	2.1758	1.0918	2.5306	3.0847	2.5306	1.7638	1.7638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.146	C1	C2	H7	111.146
C1	C2	H8	111.146	C2	C1	H3	111.146
C2	C1	H4	111.146	C2	C1	H5	111.146
H3	C1	H4	107.746	H3	C1	H5	107.746
H4	C1	H5	107.746	H6	C2	H7	107.746
H6	C2	H8	107.746	H7	C2	H8	107.746

All results from a given calculation for C₂H₆ (Ethane)

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

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**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)