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	hartrees
Energy at 0K	-79.410066
Energy at 298.15K	-79.415994
HF Energy	-79.204584
Nuclear repulsion energy	41.591050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3027	2854	0.00
2	A_1g	1465	1381	0.00
3	A_1g	1000	943	0.00
4	A_1u	318	300	0.00
5	A_2u	3022	2849	71.47
6	A_2u	1459	1375	7.91
7	E_g	3111	2933	0.00
7	E_g	3111	2933	0.00
8	E_g	1540	1452	0.00
8	E_g	1540	1452	0.00
9	E_g	1254	1182	0.00
9	E_g	1254	1182	0.00
10	E_u	3134	2955	97.81
10	E_u	3134	2955	97.81
11	E_u	1543	1455	12.38
11	E_u	1543	1455	12.38
12	E_u	844	795	7.43
12	E_u	844	795	7.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
C2	0.000	0.000	-0.780
H3	0.000	1.031	1.176
H4	-0.893	-0.516	1.176
H5	0.893	-0.516	1.176
H6	0.000	-1.031	-1.176
H7	-0.893	0.516	-1.176
H8	0.893	0.516	-1.176

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5607	1.1045	1.1045	1.1045	2.2112	2.2112	2.2112
C2	1.5607		2.2112	2.2112	2.2112	1.1045	1.1045	1.1045
H3	1.1045	2.2112		1.7865	1.7865	3.1278	2.5674	2.5674
H4	1.1045	2.2112	1.7865		1.7865	2.5674	2.5674	3.1278
H5	1.1045	2.2112	1.7865	1.7865		2.5674	3.1278	2.5674
H6	2.2112	1.1045	3.1278	2.5674	2.5674		1.7865	1.7865
H7	2.2112	1.1045	2.5674	2.5674	3.1278	1.7865		1.7865
H8	2.2112	1.1045	2.5674	3.1278	2.5674	1.7865	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.966	C1	C2	H7	110.966
C1	C2	H8	110.966	C2	C1	H3	110.966
C2	C1	H4	110.966	C2	C1	H5	110.966
H3	C1	H4	107.936	H3	C1	H5	107.936
H4	C1	H5	107.936	H6	C2	H7	107.936
H6	C2	H8	107.936	H7	C2	H8	107.936

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP2=FULL/SDD

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: MP2=FULL/SDD

States and conformations

All results from a given calculation for C₂H₆ (Ethane)