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	hartrees
Energy at 0K	-14.750519
Energy at 298.15K	-14.756417
HF Energy	-14.464439
Nuclear repulsion energy	26.166205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3051	2878	0.00
2	A_1g	1456	1374	0.00
3	A_1g	1026	968	0.00
4	A_1u	311	293	0.00
5	A_2u	3046	2872	72.57
6	A_2u	1417	1336	1.38
7	E_g	3109	2932	0.00
7	E_g	3109	2932	0.00
8	E_g	1510	1424	0.00
8	E_g	1510	1424	0.00
9	E_g	1229	1159	0.00
9	E_g	1229	1159	0.00
10	E_u	3131	2953	112.46
10	E_u	3131	2953	112.46
11	E_u	1511	1425	9.23
11	E_u	1511	1425	9.23
12	E_u	822	775	5.13
12	E_u	822	775	5.13

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	1.1094	1.1094	1.1094	2.2083	2.2083	2.2083
C2	1.5528		2.2083	2.2083	2.2083	1.1094	1.1094	1.1094
H3	1.1094	2.2083		1.7939	1.7939	3.1310	2.5662	2.5662
H4	1.1094	2.2083	1.7939		1.7939	2.5662	2.5662	3.1310
H5	1.1094	2.2083	1.7939	1.7939		2.5662	3.1310	2.5662
H6	2.2083	1.1094	3.1310	2.5662	2.5662		1.7939	1.7939
H7	2.2083	1.1094	2.5662	2.5662	3.1310	1.7939		1.7939
H8	2.2083	1.1094	2.5662	3.1310	2.5662	1.7939	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.999	C1	C2	H7	110.999
C1	C2	H8	110.999	C2	C1	H3	110.999
C2	C1	H4	110.999	C2	C1	H5	110.999
H3	C1	H4	107.901	H3	C1	H5	107.901
H4	C1	H5	107.901	H6	C2	H7	107.901
H6	C2	H8	107.901	H7	C2	H8	107.901

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD/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: CCSD/CEP-31G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)