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	hartrees
Energy at 0K	-79.416293
Energy at 298.15K	-79.422196
HF Energy	-79.203323
Nuclear repulsion energy	41.448194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2979	2809	0.00
2	A_1g	1450	1368	0.00
3	A_1g	988	932	0.00
4	A_1u	309	292	0.00
5	A_2u	2972	2802	73.69
6	A_2u	1444	1362	6.96
7	E_g	3044	2871	0.00
7	E_g	3044	2871	0.00
8	E_g	1516	1430	0.00
8	E_g	1516	1430	0.00
9	E_g	1239	1169	0.00
9	E_g	1239	1169	0.00
10	E_u	3068	2893	108.16
10	E_u	3068	2893	108.16
11	E_u	1520	1434	11.13
11	E_u	1520	1434	11.13
12	E_u	834	786	6.25
12	E_u	834	786	6.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.782
C2	0.000	0.000	-0.782
H3	0.000	1.036	1.179
H4	-0.897	-0.518	1.179
H5	0.897	-0.518	1.179
H6	0.000	-1.036	-1.179
H7	-0.897	0.518	-1.179
H8	0.897	0.518	-1.179

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5647	1.1091	1.1091	1.1091	2.2182	2.2182	2.2182
C2	1.5647		2.2182	2.2182	2.2182	1.1091	1.1091	1.1091
H3	1.1091	2.2182		1.7938	1.7938	3.1389	2.5758	2.5758
H4	1.1091	2.2182	1.7938		1.7938	2.5758	2.5758	3.1389
H5	1.1091	2.2182	1.7938	1.7938		2.5758	3.1389	2.5758
H6	2.2182	1.1091	3.1389	2.5758	2.5758		1.7938	1.7938
H7	2.2182	1.1091	2.5758	2.5758	3.1389	1.7938		1.7938
H8	2.2182	1.1091	2.5758	3.1389	2.5758	1.7938	1.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.966	C1	C2	H7	110.966
C1	C2	H8	110.966	C2	C1	H3	110.966
C2	C1	H4	110.966	C2	C1	H5	110.966
H3	C1	H4	107.936	H3	C1	H5	107.936
H4	C1	H5	107.936	H6	C2	H7	107.936
H6	C2	H8	107.936	H7	C2	H8	107.936

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD/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: CCSD/LANL2DZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)