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	hartrees
Energy at 0K	-79.585977
Energy at 298.15K	-79.591926
HF Energy	-79.238085
Nuclear repulsion energy	42.238034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3097	3097
2	A_1g	1479	1479
3	A_1g	1032	1032
4	A_1u	328	328
5	A_2u	3095	3095
6	A_2u	1451	1451
7	E_g	3164	3164
7	E_g	3164	3164
8	E_g	1552	1552
8	E_g	1551	1551
9	E_g	1260	1260
9	E_g	1260	1260
10	E_u	3185	3185
10	E_u	3185	3185
11	E_u	1558	1558
11	E_u	1557	1557
12	E_u	837	837
12	E_u	837	837

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.764
C2	0.000	0.000	-0.764
H3	0.000	1.018	1.158
H4	-0.882	-0.509	1.158
H5	0.882	-0.509	1.158
H6	0.000	-1.018	-1.158
H7	-0.882	0.509	-1.158
H8	0.882	0.509	-1.158

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5289	1.0917	1.0917	1.0917	2.1757	2.1757	2.1757
C2	1.5289		2.1757	2.1757	2.1757	1.0917	1.0917	1.0917
H3	1.0917	2.1757		1.7636	1.7636	3.0844	2.5304	2.5304
H4	1.0917	2.1757	1.7636		1.7636	2.5304	2.5304	3.0844
H5	1.0917	2.1757	1.7636	1.7636		2.5304	3.0844	2.5304
H6	2.1757	1.0917	3.0844	2.5304	2.5304		1.7636	1.7636
H7	2.1757	1.0917	2.5304	2.5304	3.0844	1.7636		1.7636
H8	2.1757	1.0917	2.5304	3.0844	2.5304	1.7636	1.7636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.143	C1	C2	H7	111.143
C1	C2	H8	111.143	C2	C1	H3	111.143
C2	C1	H4	111.143	C2	C1	H5	111.143
H3	C1	H4	107.749	H3	C1	H5	107.749
H4	C1	H5	107.749	H6	C2	H7	107.749
H6	C2	H8	107.749	H7	C2	H8	107.749

All results from a given calculation for C₂H₆ (Ethane)

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

States and conformations

All results from a given calculation for C₂H₆ (Ethane)