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	hartrees
Energy at 0K	-78.449361
Energy at 298.15K	-78.455204
HF Energy	-78.302948
Nuclear repulsion energy	41.479669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3298	3298
2	A_1g	1613	1613
3	A_1g	1103	1103
4	A_1u	293	293
5	A_2u	3299	3299
6	A_2u	1579	1579
7	E_g	3455	3455
7	E_g	3455	3455
8	E_g	1693	1693
8	E_g	1693	1693
9	E_g	1345	1345
9	E_g	1345	1345
10	E_u	3467	3467
10	E_u	3467	3467
11	E_u	1709	1709
11	E_u	1709	1709
12	E_u	903	903
12	E_u	903	903

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.781
C2	0.000	0.000	-0.781
H3	0.000	1.038	1.174
H4	-0.899	-0.519	1.174
H5	0.899	-0.519	1.174
H6	0.000	-1.038	-1.174
H7	-0.899	0.519	-1.174
H8	0.899	0.519	-1.174

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5614	1.1102	1.1102	1.1102	2.2130	2.2130	2.2130
C2	1.5614		2.2130	2.2130	2.2130	1.1102	1.1102	1.1102
H3	1.1102	2.2130		1.7985	1.7985	3.1340	2.5666	2.5666
H4	1.1102	2.2130	1.7985		1.7985	2.5666	2.5666	3.1340
H5	1.1102	2.2130	1.7985	1.7985		2.5666	3.1340	2.5666
H6	2.2130	1.1102	3.1340	2.5666	2.5666		1.7985	1.7985
H7	2.2130	1.1102	2.5666	2.5666	3.1340	1.7985		1.7985
H8	2.2130	1.1102	2.5666	3.1340	2.5666	1.7985	1.7985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.725	C1	C2	H7	110.725
C1	C2	H8	110.725	C2	C1	H3	110.725
C2	C1	H4	110.725	C2	C1	H5	110.725
H3	C1	H4	108.189	H3	C1	H5	108.189
H4	C1	H5	108.189	H6	C2	H7	108.189
H6	C2	H8	108.189	H7	C2	H8	108.189

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP4/STO-3G

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: MP4/STO-3G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)