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	hartrees
Energy at 0K	-79.421283
Energy at 298.15K	-79.427218
HF Energy	-79.195764
Nuclear repulsion energy	41.709786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	2996	2857
2	A_1g	1472	1403
3	A_1g	999	952
4	A_1u	315	300
5	A_2u	2992	2854
6	A_2u	1469	1401
7	E_g	3052	2910
7	E_g	3052	2910
8	E_g	1546	1474
8	E_g	1545	1474
9	E_g	1266	1207
9	E_g	1266	1207
10	E_u	3075	2933
10	E_u	3075	2933
11	E_u	1551	1480
11	E_u	1551	1479
12	E_u	847	808
12	E_u	847	808

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.775
C2	0.000	0.000	-0.775
H3	0.000	1.030	1.172
H4	-0.892	-0.515	1.172
H5	0.892	-0.515	1.172
H6	0.000	-1.030	-1.172
H7	-0.892	0.515	-1.172
H8	0.892	0.515	-1.172

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5504	1.1043	1.1043	1.1043	2.2034	2.2034	2.2034
C2	1.5504		2.2034	2.2034	2.2034	1.1043	1.1043	1.1043
H3	1.1043	2.2034		1.7846	1.7846	3.1218	2.5614	2.5614
H4	1.1043	2.2034	1.7846		1.7846	2.5614	2.5614	3.1218
H5	1.1043	2.2034	1.7846	1.7846		2.5614	3.1218	2.5614
H6	2.2034	1.1043	3.1218	2.5614	2.5614		1.7846	1.7846
H7	2.2034	1.1043	2.5614	2.5614	3.1218	1.7846		1.7846
H8	2.2034	1.1043	2.5614	3.1218	2.5614	1.7846	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.087	C1	C2	H7	111.087
C1	C2	H8	111.087	C2	C1	H3	111.087
C2	C1	H4	111.087	C2	C1	H5	111.087
H3	C1	H4	107.808	H3	C1	H5	107.808
H4	C1	H5	107.808	H6	C2	H7	107.808
H6	C2	H8	107.808	H7	C2	H8	107.808

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD(T)/6-31G

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: QCISD(T)/6-31G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)