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	hartrees
Energy at 0K	-79.420668
Energy at 298.15K	-79.426612
HF Energy	-79.195997
Nuclear repulsion energy	41.757508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3013	3013
2	A_1g	1478	1478
3	A_1g	1005	1005
4	A_1u	318	318
5	A_2u	3009	3009
6	A_2u	1475	1475
7	E_g	3072	3072
7	E_g	3072	3072
8	E_g	1552	1552
8	E_g	1552	1552
9	E_g	1272	1272
9	E_g	1272	1272
10	E_u	3096	3096
10	E_u	3096	3096
11	E_u	1558	1558
11	E_u	1557	1557
12	E_u	851	851
12	E_u	850	850

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.774
C2	0.000	0.000	-0.774
H3	0.000	1.029	1.171
H4	-0.891	-0.515	1.171
H5	0.891	-0.515	1.171
H6	0.000	-1.029	-1.171
H7	-0.891	0.515	-1.171
H8	0.891	0.515	-1.171

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5487	1.1030	1.1030	1.1030	2.2009	2.2009	2.2009
C2	1.5487		2.2009	2.2009	2.2009	1.1030	1.1030	1.1030
H3	1.1030	2.2009		1.7825	1.7825	3.1182	2.5584	2.5584
H4	1.1030	2.2009	1.7825		1.7825	2.5584	2.5584	3.1182
H5	1.1030	2.2009	1.7825	1.7825		2.5584	3.1182	2.5584
H6	2.2009	1.1030	3.1182	2.5584	2.5584		1.7825	1.7825
H7	2.2009	1.1030	2.5584	2.5584	3.1182	1.7825		1.7825
H8	2.2009	1.1030	2.5584	3.1182	2.5584	1.7825	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.086	C1	C2	H7	111.086
C1	C2	H8	111.086	C2	C1	H3	111.086
C2	C1	H4	111.086	C2	C1	H5	111.086
H3	C1	H4	107.810	H3	C1	H5	107.810
H4	C1	H5	107.810	H6	C2	H7	107.810
H6	C2	H8	107.810	H7	C2	H8	107.810

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP4=FULL/6-31G

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: MP4=FULL/6-31G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)