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	hartrees
Energy at 0K	-79.589826
Energy at 298.15K	-79.595778
HF Energy	-79.238690
Nuclear repulsion energy	42.292787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3105	3105	0.00
2	A_1g	1484	1484	0.00
3	A_1g	1036	1036	0.00
4	A_1u	326	326	0.00
5	A_2u	3101	3101	61.83
6	A_2u	1456	1456	0.70
7	E_g	3170	3170	0.00
7	E_g	3170	3170	0.00
8	E_g	1548	1548	0.00
8	E_g	1548	1548	0.00
9	E_g	1262	1262	0.00
9	E_g	1262	1262	0.00
10	E_u	3192	3192	72.81
10	E_u	3192	3192	72.81
11	E_u	1552	1552	8.25
11	E_u	1552	1552	8.25
12	E_u	842	842	2.00
12	E_u	842	842	2.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.763
C2	0.000	0.000	-0.763
H3	0.000	1.017	1.157
H4	-0.880	-0.508	1.157
H5	0.880	-0.508	1.157
H6	0.000	-1.017	-1.157
H7	-0.880	0.508	-1.157
H8	0.880	0.508	-1.157

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5270	1.0901	1.0901	1.0901	2.1730	2.1730	2.1730
C2	1.5270		2.1730	2.1730	2.1730	1.0901	1.0901	1.0901
H3	1.0901	2.1730		1.7609	1.7609	3.0804	2.5275	2.5275
H4	1.0901	2.1730	1.7609		1.7609	2.5275	2.5275	3.0804
H5	1.0901	2.1730	1.7609	1.7609		2.5275	3.0804	2.5275
H6	2.1730	1.0901	3.0804	2.5275	2.5275		1.7609	1.7609
H7	2.1730	1.0901	2.5275	2.5275	3.0804	1.7609		1.7609
H8	2.1730	1.0901	2.5275	3.0804	2.5275	1.7609	1.7609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.161	C1	C2	H7	111.161
C1	C2	H8	111.161	C2	C1	H3	111.161
C2	C1	H4	111.161	C2	C1	H5	111.161
H3	C1	H4	107.730	H3	C1	H5	107.730
H4	C1	H5	107.730	H6	C2	H7	107.730
H6	C2	H8	107.730	H7	C2	H8	107.730

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31+G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)