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	hartrees
Energy at 0K	-79.569875
Energy at 298.15K	-79.575811
HF Energy	-79.234449
Nuclear repulsion energy	41.924130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3088	2927	0.00
2	A_1g	1440	1365	0.00
3	A_1g	1037	983	0.00
4	A_1u	328	311	0.00
5	A_2u	3084	2923	54.28
6	A_2u	1407	1334	0.01
7	E_g	3158	2993	0.00
7	E_g	3158	2993	0.00
8	E_g	1505	1427	0.00
8	E_g	1505	1427	0.00
9	E_g	1228	1164	0.00
9	E_g	1228	1164	0.00
10	E_u	3179	3013	60.35
10	E_u	3179	3013	60.35
11	E_u	1507	1429	6.81
11	E_u	1507	1429	6.81
12	E_u	825	782	2.91
12	E_u	825	782	2.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.767
C2	0.000	0.000	-0.767
H3	0.000	1.029	1.166
H4	-0.891	-0.514	1.166
H5	0.891	-0.514	1.166
H6	0.000	-1.029	-1.166
H7	-0.891	0.514	-1.166
H8	0.891	0.514	-1.166

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5336	1.1035	1.1035	1.1035	2.1897	2.1897	2.1897
C2	1.5336		2.1897	2.1897	2.1897	1.1035	1.1035	1.1035
H3	1.1035	2.1897		1.7817	1.7817	3.1101	2.5491	2.5491
H4	1.1035	2.1897	1.7817		1.7817	2.5491	2.5491	3.1101
H5	1.1035	2.1897	1.7817	1.7817		2.5491	3.1101	2.5491
H6	2.1897	1.1035	3.1101	2.5491	2.5491		1.7817	1.7817
H7	2.1897	1.1035	2.5491	2.5491	3.1101	1.7817		1.7817
H8	2.1897	1.1035	2.5491	3.1101	2.5491	1.7817	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.220	C1	C2	H7	111.220
C1	C2	H8	111.220	C2	C1	H3	111.220
C2	C1	H4	111.220	C2	C1	H5	111.220
H3	C1	H4	107.668	H3	C1	H5	107.668
H4	C1	H5	107.668	H6	C2	H7	107.668
H6	C2	H8	107.668	H7	C2	H8	107.668

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP3/cc-pVDZ

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: MP3/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)