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	hartrees
Energy at 0K	-79.674011
Energy at 298.15K	-79.679947
HF Energy	-79.258674
Nuclear repulsion energy	42.442615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3076	3076	0.00
2	A_1g	1433	1433	0.00
3	A_1g	1037	1037	0.00
4	A_1u	324	324	0.00
5	A_2u	3077	3077	46.89
6	A_2u	1416	1416	1.63
7	E_g	3151	3151	0.00
7	E_g	3151	3151	0.00
8	E_g	1525	1525	0.00
8	E_g	1525	1525	0.00
9	E_g	1230	1230	0.00
9	E_g	1230	1230	0.00
10	E_u	3173	3173	45.02
10	E_u	3173	3173	45.02
11	E_u	1524	1524	9.39
11	E_u	1524	1524	9.39
12	E_u	832	832	3.37
12	E_u	832	832	3.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.760
C2	0.000	0.000	-0.760
H3	0.000	1.014	1.154
H4	-0.878	-0.507	1.154
H5	0.878	-0.507	1.154
H6	0.000	-1.014	-1.154
H7	-0.878	0.507	-1.154
H8	0.878	0.507	-1.154

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5192	1.0875	1.0875	1.0875	2.1651	2.1651	2.1651
C2	1.5192		2.1651	2.1651	2.1651	1.0875	1.0875	1.0875
H3	1.0875	2.1651		1.7556	1.7556	3.0712	2.5200	2.5200
H4	1.0875	2.1651	1.7556		1.7556	2.5200	2.5200	3.0712
H5	1.0875	2.1651	1.7556	1.7556		2.5200	3.0712	2.5200
H6	2.1651	1.0875	3.0712	2.5200	2.5200		1.7556	1.7556
H7	2.1651	1.0875	2.5200	2.5200	3.0712	1.7556		1.7556
H8	2.1651	1.0875	2.5200	3.0712	2.5200	1.7556	1.7556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.241	C1	C2	H7	111.241
C1	C2	H8	111.241	C2	C1	H3	111.241
C2	C1	H4	111.241	C2	C1	H5	111.241
H3	C1	H4	107.645	H3	C1	H5	107.645
H4	C1	H5	107.645	H6	C2	H7	107.645
H6	C2	H8	107.645	H7	C2	H8	107.645

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP2=FULL/6-311+G(3df,2pd)

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/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₂H₆ (Ethane)