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	hartrees
Energy at 0K	-14.636992
Energy at 298.15K	-14.642868
HF Energy	-14.429576
Nuclear repulsion energy	25.877942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	2970	2970
2	A_1g	1437	1437
3	A_1g	985	985
4	A_1u	299	299
5	A_2u	2962	2962
6	A_2u	1423	1423
7	E_g	3033	3033
7	E_g	3033	3033
8	E_g	1491	1491
8	E_g	1490	1490
9	E_g	1223	1223
9	E_g	1223	1223
10	E_u	3058	3058
10	E_u	3058	3058
11	E_u	1495	1495
11	E_u	1494	1494
12	E_u	819	819
12	E_u	819	819

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.789
C2	0.000	0.000	-0.789
H3	0.000	1.044	1.189
H4	-0.905	-0.522	1.189
H5	0.905	-0.522	1.189
H6	0.000	-1.044	-1.189
H7	-0.905	0.522	-1.189
H8	0.905	0.522	-1.189

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5787	1.1184	1.1184	1.1184	2.2373	2.2373	2.2373
C2	1.5787		2.2373	2.2373	2.2373	1.1184	1.1184	1.1184
H3	1.1184	2.2373		1.8090	1.8090	3.1656	2.5977	2.5977
H4	1.1184	2.2373	1.8090		1.8090	2.5977	2.5977	3.1656
H5	1.1184	2.2373	1.8090	1.8090		2.5977	3.1656	2.5977
H6	2.2373	1.1184	3.1656	2.5977	2.5977		1.8090	1.8090
H7	2.2373	1.1184	2.5977	2.5977	3.1656	1.8090		1.8090
H8	2.2373	1.1184	2.5977	3.1656	2.5977	1.8090	1.8090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.951	C1	C2	H7	110.951
C1	C2	H8	110.951	C2	C1	H3	110.951
C2	C1	H4	110.951	C2	C1	H5	110.951
H3	C1	H4	107.951	H3	C1	H5	107.951
H4	C1	H5	107.951	H6	C2	H7	107.951
H6	C2	H8	107.951	H7	C2	H8	107.951

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD(TQ)/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: QCISD(TQ)/CEP-31G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)