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	hartrees
Energy at 0K	-14.618501
Energy at 298.15K	-14.624408
HF Energy	-14.431037
Nuclear repulsion energy	26.021090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3048	2817	0.00
2	A_1g	1469	1358	0.00
3	A_1g	1013	936	0.00
4	A_1u	302	279	0.00
5	A_2u	3031	2800	90.89
6	A_2u	1454	1343	4.08
7	E_g	3103	2867	0.00
7	E_g	3103	2867	0.00
8	E_g	1522	1407	0.00
8	E_g	1522	1407	0.00
9	E_g	1248	1153	0.00
9	E_g	1248	1153	0.00
10	E_u	3128	2890	157.44
10	E_u	3128	2890	157.44
11	E_u	1526	1410	10.39
11	E_u	1526	1410	10.39
12	E_u	837	773	6.06
12	E_u	837	773	6.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.785
C2	0.000	0.000	-0.785
H3	0.000	1.038	1.184
H4	-0.899	-0.519	1.184
H5	0.899	-0.519	1.184
H6	0.000	-1.038	-1.184
H7	-0.899	0.519	-1.184
H8	0.899	0.519	-1.184

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5700	1.1119	1.1119	1.1119	2.2254	2.2254	2.2254
C2	1.5700		2.2254	2.2254	2.2254	1.1119	1.1119	1.1119
H3	1.1119	2.2254		1.7979	1.7979	3.1484	2.5846	2.5846
H4	1.1119	2.2254	1.7979		1.7979	2.5846	2.5846	3.1484
H5	1.1119	2.2254	1.7979	1.7979		2.5846	3.1484	2.5846
H6	2.2254	1.1119	3.1484	2.5846	2.5846		1.7979	1.7979
H7	2.2254	1.1119	2.5846	2.5846	3.1484	1.7979		1.7979
H8	2.2254	1.1119	2.5846	3.1484	2.5846	1.7979	1.7979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.003	C1	C2	H7	111.003
C1	C2	H8	111.003	C2	C1	H3	111.003
C2	C1	H4	111.003	C2	C1	H5	111.003
H3	C1	H4	107.897	H3	C1	H5	107.897
H4	C1	H5	107.897	H6	C2	H7	107.897
H6	C2	H8	107.897	H7	C2	H8	107.897

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CID/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: CID/CEP-31G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)