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	hartrees
Energy at 0K	-79.575022
Energy at 298.15K	-79.580961
HF Energy	-79.234543
Nuclear repulsion energy	41.960503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3094	2909	0.00
2	A_1g	1442	1356	0.00
3	A_1g	1039	977	0.00
4	A_1u	329	309	0.00
5	A_2u	3090	2905	53.98
6	A_2u	1409	1325	0.03
7	E_g	3164	2975	0.00
7	E_g	3164	2975	0.00
8	E_g	1507	1417	0.00
8	E_g	1507	1417	0.00
9	E_g	1229	1156	0.00
9	E_g	1229	1156	0.00
10	E_u	3185	2995	59.62
10	E_u	3185	2995	59.63
11	E_u	1510	1420	6.94
11	E_u	1510	1420	6.94
12	E_u	826	777	2.97
12	E_u	826	777	2.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.766
C2	0.000	0.000	-0.766
H3	0.000	1.028	1.165
H4	-0.890	-0.514	1.165
H5	0.890	-0.514	1.165
H6	0.000	-1.028	-1.165
H7	-0.890	0.514	-1.165
H8	0.890	0.514	-1.165

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5323	1.1025	1.1025	1.1025	2.1879	2.1879	2.1879
C2	1.5323		2.1879	2.1879	2.1879	1.1025	1.1025	1.1025
H3	1.1025	2.1879		1.7800	1.7800	3.1075	2.5472	2.5472
H4	1.1025	2.1879	1.7800		1.7800	2.5472	2.5472	3.1075
H5	1.1025	2.1879	1.7800	1.7800		2.5472	3.1075	2.5472
H6	2.1879	1.1025	3.1075	2.5472	2.5472		1.7800	1.7800
H7	2.1879	1.1025	2.5472	2.5472	3.1075	1.7800		1.7800
H8	2.1879	1.1025	2.5472	3.1075	2.5472	1.7800	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.229	C1	C2	H7	111.229
C1	C2	H8	111.229	C2	C1	H3	111.229
C2	C1	H4	111.229	C2	C1	H5	111.229
H3	C1	H4	107.658	H3	C1	H5	107.658
H4	C1	H5	107.658	H6	C2	H7	107.658
H6	C2	H8	107.658	H7	C2	H8	107.658

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP3=FULL/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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)