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	hartrees
Energy at 0K	-14.661700
Energy at 298.15K	-14.667595
HF Energy	-14.436971
Nuclear repulsion energy	26.065708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	2903	2903
2	A_1g	1437	1437
3	A_1g	977	977
4	A_1u	306	306
5	A_2u	2893	2893
6	A_2u	1426	1426
7	E_g	2973	2973
7	E_g	2973	2973
8	E_g	1487	1487
8	E_g	1486	1486
9	E_g	1225	1225
9	E_g	1225	1225
10	E_u	2999	2999
10	E_u	2999	2999
11	E_u	1501	1501
11	E_u	1500	1500
12	E_u	806	806
12	E_u	806	806

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.785
C2	0.000	0.000	-0.785
H3	0.000	1.036	1.181
H4	-0.897	-0.518	1.181
H5	0.897	-0.518	1.181
H6	0.000	-1.036	-1.181
H7	-0.897	0.518	-1.181
H8	0.897	0.518	-1.181

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5692	1.1095	1.1095	1.1095	2.2224	2.2224	2.2224
C2	1.5692		2.2224	2.2224	2.2224	1.1095	1.1095	1.1095
H3	1.1095	2.2224		1.7946	1.7946	3.1428	2.5801	2.5801
H4	1.1095	2.2224	1.7946		1.7946	2.5801	2.5801	3.1428
H5	1.1095	2.2224	1.7946	1.7946		2.5801	3.1428	2.5801
H6	2.2224	1.1095	3.1428	2.5801	2.5801		1.7946	1.7946
H7	2.2224	1.1095	2.5801	2.5801	3.1428	1.7946		1.7946
H8	2.2224	1.1095	2.5801	3.1428	2.5801	1.7946	1.7946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.956	C1	C2	H7	110.956
C1	C2	H8	110.956	C2	C1	H3	110.956
C2	C1	H4	110.956	C2	C1	H5	110.956
H3	C1	H4	107.946	H3	C1	H5	107.946
H4	C1	H5	107.946	H6	C2	H7	107.946
H6	C2	H8	107.946	H7	C2	H8	107.946

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/CEP-121G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)