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	hartrees
Energy at 0K	-79.628574
Energy at 298.15K	-79.634529
HF Energy	-79.260467
Nuclear repulsion energy	42.436905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3114	3114	0.00
2	A_1g	1477	1477	0.00
3	A_1g	1040	1040	0.00
4	A_1u	316	316	0.00
5	A_2u	3113	3113	52.32
6	A_2u	1457	1457	0.92
7	E_g	3172	3172	0.00
7	E_g	3172	3172	0.00
8	E_g	1557	1557	0.00
8	E_g	1557	1557	0.00
9	E_g	1265	1265	0.00
9	E_g	1265	1265	0.00
10	E_u	3195	3195	59.21
10	E_u	3195	3195	59.22
11	E_u	1559	1559	8.33
11	E_u	1559	1559	8.32
12	E_u	847	847	2.79
12	E_u	847	847	2.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.761
C2	0.000	0.000	-0.761
H3	0.000	1.013	1.154
H4	-0.877	-0.506	1.154
H5	0.877	-0.506	1.154
H6	0.000	-1.013	-1.154
H7	-0.877	0.506	-1.154
H8	0.877	0.506	-1.154

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5226	1.0859	1.0859	1.0859	2.1662	2.1662	2.1662
C2	1.5226		2.1662	2.1662	2.1662	1.0859	1.0859	1.0859
H3	1.0859	2.1662		1.7537	1.7537	3.0700	2.5198	2.5198
H4	1.0859	2.1662	1.7537		1.7537	2.5198	2.5198	3.0700
H5	1.0859	2.1662	1.7537	1.7537		2.5198	3.0700	2.5198
H6	2.1662	1.0859	3.0700	2.5198	2.5198		1.7537	1.7537
H7	2.1662	1.0859	2.5198	2.5198	3.0700	1.7537		1.7537
H8	2.1662	1.0859	2.5198	3.0700	2.5198	1.7537	1.7537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.185	C1	C2	H7	111.185
C1	C2	H8	111.185	C2	C1	H3	111.185
C2	C1	H4	111.185	C2	C1	H5	111.185
H3	C1	H4	107.705	H3	C1	H5	107.705
H4	C1	H5	107.705	H6	C2	H7	107.705
H6	C2	H8	107.705	H7	C2	H8	107.705

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CID/aug-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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)