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	hartrees
Energy at 0K	-79.017307
Energy at 298.15K	-79.023235
HF Energy	-78.792731
Nuclear repulsion energy	41.710509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3015	2875
2	A_1g	1471	1402
3	A_1g	947	903
4	A_1u	311	296
5	A_2u	3014	2875
6	A_2u	1476	1407
7	E_g	3065	2923
7	E_g	3065	2923
8	E_g	1577	1504
8	E_g	1576	1503
9	E_g	1270	1211
9	E_g	1269	1211
10	E_u	3088	2945
10	E_u	3088	2945
11	E_u	1579	1506
11	E_u	1579	1506
12	E_u	857	817
12	E_u	857	817

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
C2	0.000	0.000	-0.780
H3	0.000	1.029	1.168
H4	-0.892	-0.515	1.168
H5	0.892	-0.515	1.168
H6	0.000	-1.029	-1.168
H7	-0.892	0.515	-1.168
H8	0.892	0.515	-1.168

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5596	1.1003	1.1003	1.1003	2.2033	2.2033	2.2033
C2	1.5596		2.2033	2.2033	2.2033	1.1003	1.1003	1.1003
H3	1.1003	2.2033		1.7831	1.7831	3.1142	2.5532	2.5532
H4	1.1003	2.2033	1.7831		1.7831	2.5532	2.5532	3.1142
H5	1.1003	2.2033	1.7831	1.7831		2.5532	3.1142	2.5532
H6	2.2033	1.1003	3.1142	2.5532	2.5532		1.7831	1.7831
H7	2.2033	1.1003	2.5532	2.5532	3.1142	1.7831		1.7831
H8	2.2033	1.1003	2.5532	3.1142	2.5532	1.7831	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.669	C1	C2	H7	110.669
C1	C2	H8	110.669	C2	C1	H3	110.669
C2	C1	H4	110.669	C2	C1	H5	110.669
H3	C1	H4	108.247	H3	C1	H5	108.247
H4	C1	H5	108.247	H6	C2	H7	108.247
H6	C2	H8	108.247	H7	C2	H8	108.247

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD(T)/3-21G*

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)/3-21G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)