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	hartrees
Energy at 0K	-79.761665
Energy at 298.15K	-79.767580
HF Energy	-79.265326
Nuclear repulsion energy	42.372749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3049	3049
2	A_1g	1430	1430
3	A_1g	1020	1020
4	A_1u	313	313
5	A_2u	3050	3050
6	A_2u	1410	1410
7	E_g	3115	3115
7	E_g	3115	3115
8	E_g	1515	1515
8	E_g	1513	1513
9	E_g	1226	1226
9	E_g	1226	1226
10	E_u	3138	3138
10	E_u	3137	3137
11	E_u	1516	1516
11	E_u	1515	1515
12	E_u	821	821
12	E_u	820	820

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.761
C2	0.000	0.000	-0.761
H3	0.000	1.015	1.155
H4	-0.879	-0.508	1.155
H5	0.879	-0.508	1.155
H6	0.000	-1.015	-1.155
H7	-0.879	0.508	-1.155
H8	0.879	0.508	-1.155

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5226	1.0887	1.0887	1.0887	2.1685	2.1685	2.1685
C2	1.5226		2.1685	2.1685	2.1685	1.0887	1.0887	1.0887
H3	1.0887	2.1685		1.7581	1.7581	3.0753	2.5232	2.5232
H4	1.0887	2.1685	1.7581		1.7581	2.5232	2.5232	3.0753
H5	1.0887	2.1685	1.7581	1.7581		2.5232	3.0753	2.5232
H6	2.1685	1.0887	3.0753	2.5232	2.5232		1.7581	1.7581
H7	2.1685	1.0887	2.5232	2.5232	3.0753	1.7581		1.7581
H8	2.1685	1.0887	2.5232	3.0753	2.5232	1.7581	1.7581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.199	C1	C2	H7	111.199
C1	C2	H8	111.199	C2	C1	H3	111.199
C2	C1	H4	111.199	C2	C1	H5	111.199
H3	C1	H4	107.689	H3	C1	H5	107.689
H4	C1	H5	107.689	H6	C2	H7	107.689
H6	C2	H8	107.689	H7	C2	H8	107.689

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP4=FULL/aug-cc-pVQZ

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=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)