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	hartrees
Energy at 0K	-79.399964
Energy at 298.15K	-79.405891
HF Energy	-79.204367
Nuclear repulsion energy	41.631953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3043	2812	0.00
2	A_1g	1477	1364	0.00
3	A_1g	1010	933	0.00
4	A_1u	312	288	0.00
5	A_2u	3028	2798	76.01
6	A_2u	1469	1357	7.81
7	E_g	3105	2869	0.00
7	E_g	3105	2869	0.00
8	E_g	1542	1425	0.00
8	E_g	1542	1425	0.00
9	E_g	1260	1165	0.00
9	E_g	1260	1165	0.00
10	E_u	3129	2891	108.97
10	E_u	3129	2891	108.97
11	E_u	1546	1429	12.04
11	E_u	1546	1429	12.04
12	E_u	848	783	6.40
12	E_u	848	783	6.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.779
C2	0.000	0.000	-0.779
H3	0.000	1.031	1.175
H4	-0.893	-0.515	1.175
H5	0.893	-0.515	1.175
H6	0.000	-1.031	-1.175
H7	-0.893	0.515	-1.175
H8	0.893	0.515	-1.175

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5583	1.1038	1.1038	1.1038	2.2089	2.2089	2.2089
C2	1.5583		2.2089	2.2089	2.2089	1.1038	1.1038	1.1038
H3	1.1038	2.2089		1.7851	1.7851	3.1252	2.5652	2.5652
H4	1.1038	2.2089	1.7851		1.7851	2.5652	2.5652	3.1252
H5	1.1038	2.2089	1.7851	1.7851		2.5652	3.1252	2.5652
H6	2.2089	1.1038	3.1252	2.5652	2.5652		1.7851	1.7851
H7	2.2089	1.1038	2.5652	2.5652	3.1252	1.7851		1.7851
H8	2.2089	1.1038	2.5652	3.1252	2.5652	1.7851	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.988	C1	C2	H7	110.988
C1	C2	H8	110.988	C2	C1	H3	110.988
C2	C1	H4	110.988	C2	C1	H5	110.988
H3	C1	H4	107.913	H3	C1	H5	107.913
H4	C1	H5	107.913	H6	C2	H7	107.913
H6	C2	H8	107.913	H7	C2	H8	107.913

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CID/LANL2DZ

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: CID/LANL2DZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)