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	hartrees
Energy at 0K	-79.658716
Energy at 298.15K	-79.664644
HF Energy	-79.259954
Nuclear repulsion energy	42.330496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3082	2911	0.00
2	A_1g	1443	1364	0.00
3	A_1g	1026	970	0.00
4	A_1u	312	295	0.00
5	A_2u	3081	2911	50.33
6	A_2u	1421	1343	1.05
7	E_g	3142	2968	0.00
7	E_g	3142	2968	0.00
8	E_g	1526	1441	0.00
8	E_g	1526	1441	0.00
9	E_g	1237	1169	0.00
9	E_g	1237	1169	0.00
10	E_u	3165	2990	56.45
10	E_u	3165	2990	56.45
11	E_u	1527	1443	8.07
11	E_u	1527	1443	8.07
12	E_u	830	784	2.96
12	E_u	830	784	2.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.763
C2	0.000	0.000	-0.763
H3	0.000	1.015	1.157
H4	-0.879	-0.507	1.157
H5	0.879	-0.507	1.157
H6	0.000	-1.015	-1.157
H7	-0.879	0.507	-1.157
H8	0.879	0.507	-1.157

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5265	1.0886	1.0886	1.0886	2.1719	2.1719	2.1719
C2	1.5265		2.1719	2.1719	2.1719	1.0886	1.0886	1.0886
H3	1.0886	2.1719		1.7578	1.7578	3.0780	2.5266	2.5266
H4	1.0886	2.1719	1.7578		1.7578	2.5266	2.5266	3.0780
H5	1.0886	2.1719	1.7578	1.7578		2.5266	3.0780	2.5266
H6	2.1719	1.0886	3.0780	2.5266	2.5266		1.7578	1.7578
H7	2.1719	1.0886	2.5266	2.5266	3.0780	1.7578		1.7578
H8	2.1719	1.0886	2.5266	3.0780	2.5266	1.7578	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.202	C1	C2	H7	111.202
C1	C2	H8	111.202	C2	C1	H3	111.202
C2	C1	H4	111.202	C2	C1	H5	111.202
H3	C1	H4	107.686	H3	C1	H5	107.686
H4	C1	H5	107.686	H6	C2	H7	107.686
H6	C2	H8	107.686	H7	C2	H8	107.686

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP3/cc-pVTZ

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-pVTZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)