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	hartrees
Energy at 0K	-79.616411
Energy at 298.15K	-79.622364
HF Energy	-79.257839
Nuclear repulsion energy	42.432127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3117	2880	0.00
2	A_1g	1479	1366	0.00
3	A_1g	1040	961	0.00
4	A_1u	317	293	0.00
5	A_2u	3113	2876	52.62
6	A_2u	1457	1346	1.11
7	E_g	3174	2933	0.00
7	E_g	3174	2933	0.00
8	E_g	1557	1438	0.00
8	E_g	1557	1438	0.00
9	E_g	1262	1166	0.00
9	E_g	1262	1166	0.00
10	E_u	3198	2955	60.26
10	E_u	3198	2955	60.26
11	E_u	1558	1440	8.77
11	E_u	1558	1440	8.77
12	E_u	846	781	2.86
12	E_u	846	781	2.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.761
C2	0.000	0.000	-0.761
H3	0.000	1.012	1.154
H4	-0.877	-0.506	1.154
H5	0.877	-0.506	1.154
H6	0.000	-1.012	-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		1.5229	1.0859	1.0859	1.0859	2.1667	2.1667	2.1667
C2	1.5229		2.1667	2.1667	2.1667	1.0859	1.0859	1.0859
H3	1.0859	2.1667		1.7535	1.7535	3.0706	2.5207	2.5207
H4	1.0859	2.1667	1.7535		1.7535	2.5207	2.5207	3.0706
H5	1.0859	2.1667	1.7535	1.7535		2.5207	3.0706	2.5207
H6	2.1667	1.0859	3.0706	2.5207	2.5207		1.7535	1.7535
H7	2.1667	1.0859	2.5207	2.5207	3.0706	1.7535		1.7535
H8	2.1667	1.0859	2.5207	3.0706	2.5207	1.7535	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.205	C1	C2	H7	111.205
C1	C2	H8	111.205	C2	C1	H3	111.205
C2	C1	H4	111.205	C2	C1	H5	111.205
H3	C1	H4	107.683	H3	C1	H5	107.683
H4	C1	H5	107.683	H6	C2	H7	107.683
H6	C2	H8	107.683	H7	C2	H8	107.683

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CID/6-311+G(3df,2p)

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: CID/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₆ (Ethane)