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	hartrees
Energy at 0K	-79.540945
Energy at 298.15K	-79.546902
HF Energy	-79.235516
Nuclear repulsion energy	42.009257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3086	2950	0.00
2	A_1g	1432	1369	0.00
3	A_1g	1041	995	0.00
4	A_1u	334	319	0.00
5	A_2u	3084	2948	51.88
6	A_2u	1400	1338	0.13
7	E_g	3170	3031	0.00
7	E_g	3170	3031	0.00
8	E_g	1506	1439	0.00
8	E_g	1506	1439	0.00
9	E_g	1225	1171	0.00
9	E_g	1225	1171	0.00
10	E_u	3191	3050	51.27
10	E_u	3191	3050	51.27
11	E_u	1506	1440	7.77
11	E_u	1506	1440	7.77
12	E_u	825	788	3.63
12	E_u	825	788	3.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.765
C2	0.000	0.000	-0.765
H3	0.000	1.027	1.164
H4	-0.889	-0.513	1.164
H5	0.889	-0.513	1.164
H6	0.000	-1.027	-1.164
H7	-0.889	0.513	-1.164
H8	0.889	0.513	-1.164

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5293	1.1019	1.1019	1.1019	2.1850	2.1850	2.1850
C2	1.5293		2.1850	2.1850	2.1850	1.1019	1.1019	1.1019
H3	1.1019	2.1850		1.7787	1.7787	3.1045	2.5444	2.5444
H4	1.1019	2.1850	1.7787		1.7787	2.5444	2.5444	3.1045
H5	1.1019	2.1850	1.7787	1.7787		2.5444	3.1045	2.5444
H6	2.1850	1.1019	3.1045	2.5444	2.5444		1.7787	1.7787
H7	2.1850	1.1019	2.5444	2.5444	3.1045	1.7787		1.7787
H8	2.1850	1.1019	2.5444	3.1045	2.5444	1.7787	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.250	C1	C2	H7	111.250
C1	C2	H8	111.250	C2	C1	H3	111.250
C2	C1	H4	111.250	C2	C1	H5	111.250
H3	C1	H4	107.636	H3	C1	H5	107.636
H4	C1	H5	107.636	H6	C2	H7	107.636
H6	C2	H8	107.636	H7	C2	H8	107.636

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP2/cc-pCVDZ

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/cc-pCVDZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)