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	hartrees
Energy at 0K	-79.588103
Energy at 298.15K	-79.594043
HF Energy	-79.238580
Nuclear repulsion energy	42.196501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3085	2961
2	A_1g	1471	1411
3	A_1g	1027	985
4	A_1u	324	311
5	A_2u	3082	2957
6	A_2u	1443	1385
7	E_g	3151	3024
7	E_g	3151	3024
8	E_g	1536	1474
8	E_g	1535	1473
9	E_g	1252	1201
9	E_g	1252	1201
10	E_u	3173	3044
10	E_u	3173	3044
11	E_u	1540	1478
11	E_u	1540	1477
12	E_u	833	800
12	E_u	833	799

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.765
C2	0.000	0.000	-0.765
H3	0.000	1.019	1.159
H4	-0.883	-0.510	1.159
H5	0.883	-0.510	1.159
H6	0.000	-1.019	-1.159
H7	-0.883	0.510	-1.159
H8	0.883	0.510	-1.159

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5306	1.0925	1.0925	1.0925	2.1775	2.1775	2.1775
C2	1.5306		2.1775	2.1775	2.1775	1.0925	1.0925	1.0925
H3	1.0925	2.1775		1.7652	1.7652	3.0867	2.5322	2.5322
H4	1.0925	2.1775	1.7652		1.7652	2.5322	2.5322	3.0867
H5	1.0925	2.1775	1.7652	1.7652		2.5322	3.0867	2.5322
H6	2.1775	1.0925	3.0867	2.5322	2.5322		1.7652	1.7652
H7	2.1775	1.0925	2.5322	2.5322	3.0867	1.7652		1.7652
H8	2.1775	1.0925	2.5322	3.0867	2.5322	1.7652	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.123	C1	C2	H7	111.123
C1	C2	H8	111.123	C2	C1	H3	111.123
C2	C1	H4	111.123	C2	C1	H5	111.123
H3	C1	H4	107.770	H3	C1	H5	107.770
H4	C1	H5	107.770	H6	C2	H7	107.770
H6	C2	H8	107.770	H7	C2	H8	107.770

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD(T)/6-31+G**

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)/6-31+G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)