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	hartrees
Energy at 0K	-79.423664
Energy at 298.15K	-79.429597
HF Energy	-79.195806
Nuclear repulsion energy	41.720791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	2998	2998
2	A_1g	1472	1472
3	A_1g	999	999
4	A_1u	314	314
5	A_2u	2994	2994
6	A_2u	1469	1469
7	E_g	3054	3054
7	E_g	3054	3054
8	E_g	1546	1546
8	E_g	1545	1545
9	E_g	1266	1266
9	E_g	1266	1266
10	E_u	3078	3078
10	E_u	3077	3077
11	E_u	1551	1551
11	E_u	1551	1551
12	E_u	847	847
12	E_u	847	847

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.775
C2	0.000	0.000	-0.775
H3	0.000	1.030	1.172
H4	-0.892	-0.515	1.172
H5	0.892	-0.515	1.172
H6	0.000	-1.030	-1.172
H7	-0.892	0.515	-1.172
H8	0.892	0.515	-1.172

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5503	1.1040	1.1040	1.1040	2.2031	2.2031	2.2031
C2	1.5503		2.2031	2.2031	2.2031	1.1040	1.1040	1.1040
H3	1.1040	2.2031		1.7842	1.7842	3.1211	2.5609	2.5609
H4	1.1040	2.2031	1.7842		1.7842	2.5609	2.5609	3.1211
H5	1.1040	2.2031	1.7842	1.7842		2.5609	3.1211	2.5609
H6	2.2031	1.1040	3.1211	2.5609	2.5609		1.7842	1.7842
H7	2.2031	1.1040	2.5609	2.5609	3.1211	1.7842		1.7842
H8	2.2031	1.1040	2.5609	3.1211	2.5609	1.7842	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.082	C1	C2	H7	111.082
C1	C2	H8	111.082	C2	C1	H3	111.082
C2	C1	H4	111.082	C2	C1	H5	111.082
H3	C1	H4	107.814	H3	C1	H5	107.814
H4	C1	H5	107.814	H6	C2	H7	107.814
H6	C2	H8	107.814	H7	C2	H8	107.814

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-31G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)