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	hartrees
Energy at 0K	-79.407052
Energy at 298.15K	-79.412970
HF Energy	-79.203846
Nuclear repulsion energy	41.529105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3015	3015	0.00
2	A_1g	1464	1464	0.00
3	A_1g	998	998	0.00
4	A_1u	314	314	0.00
5	A_2u	3008	3008	72.86
6	A_2u	1455	1455	7.69
7	E_g	3084	3084	0.00
7	E_g	3084	3084	0.00
8	E_g	1528	1528	0.00
8	E_g	1528	1528	0.00
9	E_g	1249	1249	0.00
9	E_g	1249	1249	0.00
10	E_u	3108	3108	105.23
10	E_u	3108	3108	105.23
11	E_u	1533	1533	11.93
11	E_u	1533	1533	11.93
12	E_u	839	839	6.55
12	E_u	839	839	6.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.781
C2	0.000	0.000	-0.781
H3	0.000	1.033	1.177
H4	-0.895	-0.517	1.177
H5	0.895	-0.517	1.177
H6	0.000	-1.033	-1.177
H7	-0.895	0.517	-1.177
H8	0.895	0.517	-1.177

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5626	1.1065	1.1065	1.1065	2.2140	2.2140	2.2140
C2	1.5626		2.2140	2.2140	2.2140	1.1065	1.1065	1.1065
H3	1.1065	2.2140		1.7899	1.7899	3.1322	2.5705	2.5705
H4	1.1065	2.2140	1.7899		1.7899	2.5705	2.5705	3.1322
H5	1.1065	2.2140	1.7899	1.7899		2.5705	3.1322	2.5705
H6	2.2140	1.1065	3.1322	2.5705	2.5705		1.7899	1.7899
H7	2.2140	1.1065	2.5705	2.5705	3.1322	1.7899		1.7899
H8	2.2140	1.1065	2.5705	3.1322	2.5705	1.7899	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.944	C1	C2	H7	110.944
C1	C2	H8	110.944	C2	C1	H3	110.944
C2	C1	H4	110.944	C2	C1	H5	110.944
H3	C1	H4	107.959	H3	C1	H5	107.959
H4	C1	H5	107.959	H6	C2	H7	107.959
H6	C2	H8	107.959	H7	C2	H8	107.959

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP3/LANL2DZ

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: MP3/LANL2DZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)