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	hartrees
Energy at 0K	-79.595092
Energy at 298.15K	-79.601009
HF Energy	-79.237031
Nuclear repulsion energy	41.918097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3043	3043	0.00
2	A_1g	1425	1425	0.00
3	A_1g	1022	1022	0.00
4	A_1u	314	314	0.00
5	A_2u	3040	3040	58.79
6	A_2u	1395	1395	0.24
7	E_g	3105	3105	0.00
7	E_g	3105	3105	0.00
8	E_g	1496	1496	0.00
8	E_g	1496	1496	0.00
9	E_g	1218	1218	0.00
9	E_g	1218	1218	0.00
10	E_u	3126	3126	69.99
10	E_u	3126	3126	69.99
11	E_u	1498	1498	6.55
11	E_u	1498	1498	6.55
12	E_u	818	818	2.11
12	E_u	818	818	2.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.768
C2	0.000	0.000	-0.768
H3	0.000	1.028	1.166
H4	-0.890	-0.514	1.166
H5	0.890	-0.514	1.166
H6	0.000	-1.028	-1.166
H7	-0.890	0.514	-1.166
H8	0.890	0.514	-1.166

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5364	1.1023	1.1023	1.1023	2.1905	2.1905	2.1905
C2	1.5364		2.1905	2.1905	2.1905	1.1023	1.1023	1.1023
H3	1.1023	2.1905		1.7806	1.7806	3.1091	2.5487	2.5487
H4	1.1023	2.1905	1.7806		1.7806	2.5487	2.5487	3.1091
H5	1.1023	2.1905	1.7806	1.7806		2.5487	3.1091	2.5487
H6	2.1905	1.1023	3.1091	2.5487	2.5487		1.7806	1.7806
H7	2.1905	1.1023	2.5487	2.5487	3.1091	1.7806		1.7806
H8	2.1905	1.1023	2.5487	3.1091	2.5487	1.7806	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.160	C1	C2	H7	111.160
C1	C2	H8	111.160	C2	C1	H3	111.160
C2	C1	H4	111.160	C2	C1	H5	111.160
H3	C1	H4	107.731	H3	C1	H5	107.731
H4	C1	H5	107.731	H6	C2	H7	107.731
H6	C2	H8	107.731	H7	C2	H8	107.731

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD=FULL/daug-cc-pVDZ

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=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)