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	hartrees
Energy at 0K	-79.655164
Energy at 298.15K	-79.661100
HF Energy	-79.251238
Nuclear repulsion energy	42.076531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3047	3047
2	A_1g	1445	1445
3	A_1g	1020	1020
4	A_1u	326	326
5	A_2u	3044	3044
6	A_2u	1416	1416
7	E_g	3106	3106
7	E_g	3106	3106
8	E_g	1511	1511
8	E_g	1511	1511
9	E_g	1235	1235
9	E_g	1235	1235
10	E_u	3129	3129
10	E_u	3129	3129
11	E_u	1515	1515
11	E_u	1515	1515
12	E_u	827	827
12	E_u	827	827

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.767
C2	0.000	0.000	-0.767
H3	0.000	1.023	1.162
H4	-0.886	-0.512	1.162
H5	0.886	-0.512	1.162
H6	0.000	-1.023	-1.162
H7	-0.886	0.512	-1.162
H8	0.886	0.512	-1.162

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5335	1.0967	1.0967	1.0967	2.1830	2.1830	2.1830
C2	1.5335		2.1830	2.1830	2.1830	1.0967	1.0967	1.0967
H3	1.0967	2.1830		1.7723	1.7723	3.0959	2.5385	2.5385
H4	1.0967	2.1830	1.7723		1.7723	2.5385	2.5385	3.0959
H5	1.0967	2.1830	1.7723	1.7723		2.5385	3.0959	2.5385
H6	2.1830	1.0967	3.0959	2.5385	2.5385		1.7723	1.7723
H7	2.1830	1.0967	2.5385	2.5385	3.0959	1.7723		1.7723
H8	2.1830	1.0967	2.5385	3.0959	2.5385	1.7723	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.099	C1	C2	H7	111.099
C1	C2	H8	111.099	C2	C1	H3	111.099
C2	C1	H4	111.099	C2	C1	H5	111.099
H3	C1	H4	107.796	H3	C1	H5	107.796
H4	C1	H5	107.796	H6	C2	H7	107.796
H6	C2	H8	107.796	H7	C2	H8	107.796

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD(T)=FULL/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)