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	hartrees
Energy at 0K	-79.583647
Energy at 298.15K	-79.589565
HF Energy	-79.236736
Nuclear repulsion energy	41.908508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3066	3066	0.00
2	A_1g	1424	1424	0.00
3	A_1g	1025	1025	0.00
4	A_1u	317	317	0.00
5	A_2u	3062	3062	56.08
6	A_2u	1394	1394	0.28
7	E_g	3129	3129	0.00
7	E_g	3129	3129	0.00
8	E_g	1497	1497	0.00
8	E_g	1497	1497	0.00
9	E_g	1219	1219	0.00
9	E_g	1219	1219	0.00
10	E_u	3150	3150	65.20
10	E_u	3150	3150	65.20
11	E_u	1498	1498	6.98
11	E_u	1498	1498	6.98
12	E_u	818	818	2.24
12	E_u	818	818	2.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.769
C2	0.000	0.000	-0.769
H3	0.000	1.028	1.166
H4	-0.890	-0.514	1.166
H5	0.890	-0.514	1.166
H6	0.000	-1.028	-1.166
H7	-0.890	0.514	-1.166
H8	0.890	0.514	-1.166

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5375	1.1022	1.1022	1.1022	2.1911	2.1911	2.1911
C2	1.5375		2.1911	2.1911	2.1911	1.1022	1.1022	1.1022
H3	1.1022	2.1911		1.7805	1.7805	3.1094	2.5491	2.5491
H4	1.1022	2.1911	1.7805		1.7805	2.5491	2.5491	3.1094
H5	1.1022	2.1911	1.7805	1.7805		2.5491	3.1094	2.5491
H6	2.1911	1.1022	3.1094	2.5491	2.5491		1.7805	1.7805
H7	2.1911	1.1022	2.5491	2.5491	3.1094	1.7805		1.7805
H8	2.1911	1.1022	2.5491	3.1094	2.5491	1.7805	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.144	C1	C2	H7	111.144
C1	C2	H8	111.144	C2	C1	H3	111.144
C2	C1	H4	111.144	C2	C1	H5	111.144
H3	C1	H4	107.748	H3	C1	H5	107.748
H4	C1	H5	107.748	H6	C2	H7	107.748
H6	C2	H8	107.748	H7	C2	H8	107.748

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP3/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)