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	hartrees
Energy at 0K	-14.779591
Energy at 298.15K	-14.785507
HF Energy	-14.473395
Nuclear repulsion energy	26.383439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3026	2886	0.00
2	A_1g	1462	1394	0.00
3	A_1g	1015	968	0.00
4	A_1u	319	304	0.00
5	A_2u	3021	2881	67.47
6	A_2u	1431	1365	1.20
7	E_g	3090	2947	0.00
7	E_g	3090	2947	0.00
8	E_g	1523	1452	0.00
8	E_g	1523	1452	0.00
9	E_g	1237	1179	0.00
9	E_g	1237	1179	0.00
10	E_u	3113	2969	88.93
10	E_u	3113	2969	88.93
11	E_u	1530	1460	9.59
11	E_u	1530	1460	9.59
12	E_u	818	780	2.33
12	E_u	818	780	2.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.771
C2	0.000	0.000	-0.771
H3	0.000	1.025	1.166
H4	-0.888	-0.513	1.166
H5	0.888	-0.513	1.166
H6	0.000	-1.025	-1.166
H7	-0.888	0.513	-1.166
H8	0.888	0.513	-1.166

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5430	1.0988	1.0988	1.0988	2.1924	2.1924	2.1924
C2	1.5430		2.1924	2.1924	2.1924	1.0988	1.0988	1.0988
H3	1.0988	2.1924		1.7760	1.7760	3.1060	2.5482	2.5482
H4	1.0988	2.1924	1.7760		1.7760	2.5482	2.5482	3.1060
H5	1.0988	2.1924	1.7760	1.7760		2.5482	3.1060	2.5482
H6	2.1924	1.0988	3.1060	2.5482	2.5482		1.7760	1.7760
H7	2.1924	1.0988	2.5482	2.5482	3.1060	1.7760		1.7760
H8	2.1924	1.0988	2.5482	3.1060	2.5482	1.7760	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.063	C1	C2	H7	111.063
C1	C2	H8	111.063	C2	C1	H3	111.063
C2	C1	H4	111.063	C2	C1	H5	111.063
H3	C1	H4	107.833	H3	C1	H5	107.833
H4	C1	H5	107.833	H6	C2	H7	107.833
H6	C2	H8	107.833	H7	C2	H8	107.833

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)