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	hartrees
Energy at 0K	-79.445068
Energy at 298.15K	-79.450974
HF Energy	-79.203779
Nuclear repulsion energy	41.463717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2979	2979	0.00
2	A_1g	1450	1450	0.00
3	A_1g	989	989	0.00
4	A_1u	310	310	0.00
5	A_2u	2972	2972	72.86
6	A_2u	1444	1444	7.05
7	E_g	3045	3045	0.00
7	E_g	3045	3045	0.00
8	E_g	1517	1517	0.00
8	E_g	1517	1517	0.00
9	E_g	1240	1240	0.00
9	E_g	1240	1240	0.00
10	E_u	3068	3068	106.58
10	E_u	3068	3068	106.58
11	E_u	1521	1521	11.23
11	E_u	1521	1521	11.23
12	E_u	834	834	6.32
12	E_u	834	834	6.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.782
C2	0.000	0.000	-0.782
H3	0.000	1.035	1.179
H4	-0.897	-0.518	1.179
H5	0.897	-0.518	1.179
H6	0.000	-1.035	-1.179
H7	-0.897	0.518	-1.179
H8	0.897	0.518	-1.179

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5639	1.1088	1.1088	1.1088	2.2173	2.2173	2.2173
C2	1.5639		2.2173	2.2173	2.2173	1.1088	1.1088	1.1088
H3	1.1088	2.2173		1.7934	1.7934	3.1377	2.5748	2.5748
H4	1.1088	2.2173	1.7934		1.7934	2.5748	2.5748	3.1378
H5	1.1088	2.2173	1.7934	1.7934		2.5748	3.1378	2.5748
H6	2.2173	1.1088	3.1377	2.5748	2.5748		1.7934	1.7934
H7	2.2173	1.1088	2.5748	2.5748	3.1378	1.7934		1.7934
H8	2.2173	1.1088	2.5748	3.1378	2.5748	1.7934	1.7934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.966	C1	C2	H7	110.966
C1	C2	H8	110.966	C2	C1	H3	110.966
C2	C1	H4	110.966	C2	C1	H5	110.966
H3	C1	H4	107.936	H3	C1	H5	107.936
H4	C1	H5	107.936	H6	C2	H7	107.936
H6	C2	H8	107.936	H7	C2	H8	107.936

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD=FULL/SDD

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/SDD

States and conformations

All results from a given calculation for C₂H₆ (Ethane)