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	hartrees
Energy at 0K	-79.684515
Energy at 298.15K	-79.690435
HF Energy	-79.265176
Nuclear repulsion energy	42.340213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3057	3057	0.00
2	A_1g	1445	1445	0.00
3	A_1g	1024	1024	0.00
4	A_1u	308	308	0.00
5	A_2u	3056	3056	52.14
6	A_2u	1424	1424	0.94
7	E_g	3114	3114	0.00
7	E_g	3114	3114	0.00
8	E_g	1523	1523	0.00
8	E_g	1523	1523	0.00
9	E_g	1238	1238	0.00
9	E_g	1238	1238	0.00
10	E_u	3137	3137	59.71
10	E_u	3137	3137	59.71
11	E_u	1525	1525	7.88
11	E_u	1525	1525	7.88
12	E_u	829	829	2.78
12	E_u	829	829	2.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.762
C2	0.000	0.000	-0.762
H3	0.000	1.016	1.156
H4	-0.879	-0.508	1.156
H5	0.879	-0.508	1.156
H6	0.000	-1.016	-1.156
H7	-0.879	0.508	-1.156
H8	0.879	0.508	-1.156

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5242	1.0894	1.0894	1.0894	2.1707	2.1707	2.1707
C2	1.5242		2.1707	2.1707	2.1707	1.0894	1.0894	1.0894
H3	1.0894	2.1707		1.7589	1.7589	3.0780	2.5259	2.5259
H4	1.0894	2.1707	1.7589		1.7589	2.5259	2.5259	3.0780
H5	1.0894	2.1707	1.7589	1.7589		2.5259	3.0780	2.5259
H6	2.1707	1.0894	3.0780	2.5259	2.5259		1.7589	1.7589
H7	2.1707	1.0894	2.5259	2.5259	3.0780	1.7589		1.7589
H8	2.1707	1.0894	2.5259	3.0780	2.5259	1.7589	1.7589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.220	C1	C2	H7	111.220
C1	C2	H8	111.220	C2	C1	H3	111.220
C2	C1	H4	111.220	C2	C1	H5	111.220
H3	C1	H4	107.667	H3	C1	H5	107.667
H4	C1	H5	107.667	H6	C2	H7	107.667
H6	C2	H8	107.667	H7	C2	H8	107.667

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD/cc-pVQZ

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/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)