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	hartrees
Energy at 0K	-14.749283
Energy at 298.15K	-14.755180
HF Energy	-14.464458
Nuclear repulsion energy	26.168242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3055	2881	0.00
2	A_1g	1457	1374	0.00
3	A_1g	1028	969	0.00
4	A_1u	310	293	0.00
5	A_2u	3050	2877	69.70
6	A_2u	1417	1337	1.70
7	E_g	3118	2940	0.00
7	E_g	3118	2940	0.00
8	E_g	1510	1425	0.00
8	E_g	1510	1425	0.00
9	E_g	1229	1159	0.00
9	E_g	1229	1159	0.00
10	E_u	3139	2960	105.53
10	E_u	3139	2960	105.53
11	E_u	1511	1425	9.78
11	E_u	1511	1425	9.78
12	E_u	823	776	5.37
12	E_u	823	776	5.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.776
C2	0.000	0.000	-0.776
H3	0.000	1.036	1.174
H4	-0.897	-0.518	1.174
H5	0.897	-0.518	1.174
H6	0.000	-1.036	-1.174
H7	-0.897	0.518	-1.174
H8	0.897	0.518	-1.174

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5528	1.1092	1.1092	1.1092	2.2082	2.2082	2.2082
C2	1.5528		2.2082	2.2082	2.2082	1.1092	1.1092	1.1092
H3	1.1092	2.2082		1.7936	1.7936	3.1308	2.5661	2.5661
H4	1.1092	2.2082	1.7936		1.7936	2.5661	2.5661	3.1308
H5	1.1092	2.2082	1.7936	1.7936		2.5661	3.1308	2.5661
H6	2.2082	1.1092	3.1308	2.5661	2.5661		1.7936	1.7936
H7	2.2082	1.1092	2.5661	2.5661	3.1308	1.7936		1.7936
H8	2.2082	1.1092	2.5661	3.1308	2.5661	1.7936	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.002	C1	C2	H7	111.002
C1	C2	H8	111.002	C2	C1	H3	111.002
C2	C1	H4	111.002	C2	C1	H5	111.002
H3	C1	H4	107.898	H3	C1	H5	107.898
H4	C1	H5	107.898	H6	C2	H7	107.898
H6	C2	H8	107.898	H7	C2	H8	107.898

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCD/CEP-31G*

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/CEP-31G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)