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	hartrees
Energy at 0K	-14.886139
Energy at 298.15K	-14.892057
HF Energy	-14.886139
Nuclear repulsion energy	26.414104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3020	3020	0.00
2	A_1g	1443	1443	0.00
3	A_1g	1033	1033	0.00
4	A_1u	298	298	0.00
5	A_2u	3012	3012	80.22
6	A_2u	1430	1430	9.25
7	E_g	3100	3100	0.00
7	E_g	3100	3100	0.00
8	E_g	1528	1528	0.00
8	E_g	1528	1528	0.00
9	E_g	1230	1230	0.00
9	E_g	1230	1230	0.00
10	E_u	3128	3128	95.40
10	E_u	3128	3128	95.44
11	E_u	1531	1531	17.31
11	E_u	1531	1531	17.30
12	E_u	834	834	7.28
12	E_u	834	834	7.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.769
C2	0.000	0.000	-0.769
H3	0.000	1.023	1.168
H4	-0.886	-0.512	1.168
H5	0.886	-0.512	1.168
H6	0.000	-1.023	-1.168
H7	-0.886	0.512	-1.168
H8	0.886	0.512	-1.168

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5389	1.0980	1.0980	1.0980	2.1908	2.1908	2.1908
C2	1.5389		2.1908	2.1908	2.1908	1.0980	1.0980	1.0980
H3	1.0980	2.1908		1.7723	1.7723	3.1051	2.5496	2.5496
H4	1.0980	2.1908	1.7723		1.7723	2.5496	2.5496	3.1051
H5	1.0980	2.1908	1.7723	1.7723		2.5496	3.1051	2.5496
H6	2.1908	1.0980	3.1051	2.5496	2.5496		1.7723	1.7723
H7	2.1908	1.0980	2.5496	2.5496	3.1051	1.7723		1.7723
H8	2.1908	1.0980	2.5496	3.1051	2.5496	1.7723	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.263	C1	C2	H7	111.263
C1	C2	H8	111.263	C2	C1	H3	111.263
C2	C1	H4	111.263	C2	C1	H5	111.263
H3	C1	H4	107.621	H3	C1	H5	107.621
H4	C1	H5	107.621	H6	C2	H7	107.621
H6	C2	H8	107.621	H7	C2	H8	107.621

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: HSEh1PBE/CEP-121G

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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Number	Element	Mulliken
1	C	-0.500
2	C	-0.500
3	H	0.167
4	H	0.167
5	H	0.167
6	H	0.167
7	H	0.167
8	H	0.167

<r²>	28.603
(<r²>)^1/2	5.348

All results from a given calculation for C2H6 (Ethane)

using model chemistry: HSEh1PBE/CEP-121G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)