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	hartrees
Energy at 0K	-79.739657
Energy at 298.15K	-79.745585
HF Energy	-79.635531
Nuclear repulsion energy	42.235407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_1g	3061	3061	0.00	236.16	0.01	0.02
2	A_1g	1456	1456	0.00	3.26	0.68	0.81
3	A_1g	1018	1018	0.00	10.48	0.28	0.44
4	A_1u	315	315	0.00	0.00	0.00	0.00
5	A_2u	3060	3060	65.27	0.00	0.01	0.00
6	A_2u	1437	1437	3.17	0.00	0.00	0.00
7	E_g	3114	3114	0.00	147.11	0.75	0.86
7	E_g	3114	3114	0.00	147.11	0.75	0.86
8	E_g	1540	1540	0.00	26.69	0.75	0.86
8	E_g	1540	1540	0.00	26.69	0.75	0.86
9	E_g	1243	1243	0.00	1.10	0.75	0.86
9	E_g	1243	1243	0.00	1.10	0.75	0.86
10	E_u	3139	3139	80.01	0.00	0.00	0.00
10	E_u	3139	3139	80.01	0.00	0.00	0.00
11	E_u	1542	1542	12.29	0.00	0.75	0.86
11	E_u	1542	1542	12.29	0.00	0.75	0.86
12	E_u	836	836	4.31	0.00	0.00	0.00
12	E_u	836	836	4.31	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.764
C2	0.000	0.000	-0.764
H3	0.000	1.017	1.162
H4	-0.881	-0.508	1.162
H5	0.881	-0.508	1.162
H6	0.000	-1.017	-1.162
H7	-0.881	0.508	-1.162
H8	0.881	0.508	-1.162

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5277	1.0919	1.0919	1.0919	2.1775	2.1775	2.1775
C2	1.5277		2.1775	2.1775	2.1775	1.0919	1.0919	1.0919
H3	1.0919	2.1775		1.7612	1.7612	3.0876	2.5361	2.5361
H4	1.0919	2.1775	1.7612		1.7612	2.5361	2.5361	3.0876
H5	1.0919	2.1775	1.7612	1.7612		2.5361	3.0876	2.5361
H6	2.1775	1.0919	3.0876	2.5361	2.5361		1.7612	1.7612
H7	2.1775	1.0919	2.5361	2.5361	3.0876	1.7612		1.7612
H8	2.1775	1.0919	2.5361	3.0876	2.5361	1.7612	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.366	C1	C2	H7	111.366
C1	C2	H8	111.366	C2	C1	H3	111.366
C2	C1	H4	111.366	C2	C1	H5	111.366
H3	C1	H4	107.511	H3	C1	H5	107.511
H4	C1	H5	107.511	H6	C2	H7	107.511
H6	C2	H8	107.511	H7	C2	H8	107.511

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)