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	hartrees
Energy at 0K	-79.568157
Energy at 298.15K	-79.574076
HF Energy	-79.242180
Nuclear repulsion energy	42.047309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3024	2911
2	A_1g	1452	1398
3	A_1g	1019	981
4	A_1u	316	304
5	A_2u	3021	2908
6	A_2u	1430	1377
7	E_g	3082	2967
7	E_g	3082	2967
8	E_g	1525	1468
8	E_g	1524	1468
9	E_g	1237	1191
9	E_g	1237	1191
10	E_u	3104	2989
10	E_u	3104	2989
11	E_u	1529	1472
11	E_u	1528	1471
12	E_u	825	795
12	E_u	825	795

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	1.164
H4	-0.886	-0.512	1.164
H5	0.886	-0.512	1.164
H6	0.000	-1.023	-1.164
H7	-0.886	0.512	-1.164
H8	0.886	0.512	-1.164

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5336	1.0977	1.0977	1.0977	2.1856	2.1856	2.1856
C2	1.5336		2.1856	2.1856	2.1856	1.0977	1.0977	1.0977
H3	1.0977	2.1856		1.7721	1.7721	3.1002	2.5438	2.5438
H4	1.0977	2.1856	1.7721		1.7721	2.5438	2.5438	3.1002
H5	1.0977	2.1856	1.7721	1.7721		2.5438	3.1002	2.5438
H6	2.1856	1.0977	3.1002	2.5438	2.5438		1.7721	1.7721
H7	2.1856	1.0977	2.5438	2.5438	3.1002	1.7721		1.7721
H8	2.1856	1.0977	2.5438	3.1002	2.5438	1.7721	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.239	C1	C2	H7	111.239
C1	C2	H8	111.239	C2	C1	H3	111.239
C2	C1	H4	111.239	C2	C1	H5	111.239
H3	C1	H4	107.647	H3	C1	H5	107.647
H4	C1	H5	107.647	H6	C2	H7	107.647
H6	C2	H8	107.647	H7	C2	H8	107.647

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD(T)/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: QCISD(T)/6-311G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)