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	hartrees
Energy at 0K	-14.633500
Energy at 298.15K	-14.639383
HF Energy	-14.429883
Nuclear repulsion energy	25.904755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2984	2984	0.00
2	A_1g	1444	1444	0.00
3	A_1g	994	994	0.00
4	A_1u	299	299	0.00
5	A_2u	2975	2975	88.42
6	A_2u	1429	1429	3.55
7	E_g	3045	3045	0.00
7	E_g	3045	3045	0.00
8	E_g	1496	1496	0.00
8	E_g	1496	1496	0.00
9	E_g	1227	1227	0.00
9	E_g	1227	1227	0.00
10	E_u	3069	3069	155.49
10	E_u	3069	3069	155.49
11	E_u	1500	1500	9.56
11	E_u	1500	1500	9.56
12	E_u	823	823	5.90
12	E_u	823	823	5.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.788
C2	0.000	0.000	-0.788
H3	0.000	1.043	1.188
H4	-0.903	-0.522	1.188
H5	0.903	-0.522	1.188
H6	0.000	-1.043	-1.188
H7	-0.903	0.522	-1.188
H8	0.903	0.522	-1.188

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5761	1.1173	1.1173	1.1173	2.2347	2.2347	2.2347
C2	1.5761		2.2347	2.2347	2.2347	1.1173	1.1173	1.1173
H3	1.1173	2.2347		1.8069	1.8069	3.1623	2.5953	2.5953
H4	1.1173	2.2347	1.8069		1.8069	2.5953	2.5953	3.1623
H5	1.1173	2.2347	1.8069	1.8069		2.5953	3.1623	2.5953
H6	2.2347	1.1173	3.1623	2.5953	2.5953		1.8069	1.8069
H7	2.2347	1.1173	2.5953	2.5953	3.1623	1.8069		1.8069
H8	2.2347	1.1173	2.5953	3.1623	2.5953	1.8069	1.8069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.986	C1	C2	H7	110.986
C1	C2	H8	110.986	C2	C1	H3	110.986
C2	C1	H4	110.986	C2	C1	H5	110.986
H3	C1	H4	107.915	H3	C1	H5	107.915
H4	C1	H5	107.915	H6	C2	H7	107.915
H6	C2	H8	107.915	H7	C2	H8	107.915

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD=FULL/CEP-31G

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=FULL/CEP-31G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)