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	hartrees
Energy at 0K	-79.658947
Energy at 298.15K	-79.664873
HF Energy	-79.258581
Nuclear repulsion energy	42.295800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3057	3057	0.00
2	A_1g	1448	1448	0.00
3	A_1g	1026	1026	0.00
4	A_1u	314	314	0.00
5	A_2u	3056	3056	50.07
6	A_2u	1427	1427	1.00
7	E_g	3120	3120	0.00
7	E_g	3120	3120	0.00
8	E_g	1526	1526	0.00
8	E_g	1526	1526	0.00
9	E_g	1238	1238	0.00
9	E_g	1238	1238	0.00
10	E_u	3142	3142	56.35
10	E_u	3142	3142	56.35
11	E_u	1527	1527	8.23
11	E_u	1527	1527	8.23
12	E_u	832	832	2.72
12	E_u	832	832	2.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.763
C2	0.000	0.000	-0.763
H3	0.000	1.016	1.157
H4	-0.880	-0.508	1.157
H5	0.880	-0.508	1.157
H6	0.000	-1.016	-1.157
H7	-0.880	0.508	-1.157
H8	0.880	0.508	-1.157

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5268	1.0900	1.0900	1.0900	2.1731	2.1731	2.1731
C2	1.5268		2.1731	2.1731	2.1731	1.0900	1.0900	1.0900
H3	1.0900	2.1731		1.7603	1.7603	3.0806	2.5281	2.5281
H4	1.0900	2.1731	1.7603		1.7603	2.5281	2.5281	3.0806
H5	1.0900	2.1731	1.7603	1.7603		2.5281	3.0806	2.5281
H6	2.1731	1.0900	3.0806	2.5281	2.5281		1.7603	1.7603
H7	2.1731	1.0900	2.5281	2.5281	3.0806	1.7603		1.7603
H8	2.1731	1.0900	2.5281	3.0806	2.5281	1.7603	1.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.190	C1	C2	H7	111.190
C1	C2	H8	111.190	C2	C1	H3	111.190
C2	C1	H4	111.190	C2	C1	H5	111.190
H3	C1	H4	107.699	H3	C1	H5	107.699
H4	C1	H5	107.699	H6	C2	H7	107.699
H6	C2	H8	107.699	H7	C2	H8	107.699

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCD/6-311+G(3df,2pd)

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: CCD/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₂H₆ (Ethane)