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	hartrees
Energy at 0K	-79.624194
Energy at 298.15K	-79.630148
HF Energy	-79.260026
Nuclear repulsion energy	42.455566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3119	2890	0.00
2	A_1g	1475	1367	0.00
3	A_1g	1041	965	0.00
4	A_1u	317	294	0.00
5	A_2u	3117	2888	52.70
6	A_2u	1451	1344	1.05
7	E_g	3177	2943	0.00
7	E_g	3177	2943	0.00
8	E_g	1553	1439	0.00
8	E_g	1553	1439	0.00
9	E_g	1263	1170	0.00
9	E_g	1263	1170	0.00
10	E_u	3200	2965	61.10
10	E_u	3200	2965	61.11
11	E_u	1555	1441	8.09
11	E_u	1555	1441	8.09
12	E_u	845	783	2.88
12	E_u	845	783	2.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.761
C2	0.000	0.000	-0.761
H3	0.000	1.012	1.154
H4	-0.876	-0.506	1.154
H5	0.876	-0.506	1.154
H6	0.000	-1.012	-1.154
H7	-0.876	0.506	-1.154
H8	0.876	0.506	-1.154

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5220	1.0853	1.0853	1.0853	2.1656	2.1656	2.1656
C2	1.5220		2.1656	2.1656	2.1656	1.0853	1.0853	1.0853
H3	1.0853	2.1656		1.7525	1.7525	3.0690	2.5194	2.5194
H4	1.0853	2.1656	1.7525		1.7525	2.5194	2.5194	3.0690
H5	1.0853	2.1656	1.7525	1.7525		2.5194	3.0690	2.5194
H6	2.1656	1.0853	3.0690	2.5194	2.5194		1.7525	1.7525
H7	2.1656	1.0853	2.5194	2.5194	3.0690	1.7525		1.7525
H8	2.1656	1.0853	2.5194	3.0690	2.5194	1.7525	1.7525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.210	C1	C2	H7	111.210
C1	C2	H8	111.210	C2	C1	H3	111.210
C2	C1	H4	111.210	C2	C1	H5	111.210
H3	C1	H4	107.678	H3	C1	H5	107.678
H4	C1	H5	107.678	H6	C2	H7	107.678
H6	C2	H8	107.678	H7	C2	H8	107.678

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CID/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)