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	hartrees
Energy at 0K	-79.551579
Energy at 298.15K	-79.557547
HF Energy	-79.238746
Nuclear repulsion energy	42.366627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3147	2901	0.00
2	A_1g	1504	1387	0.00
3	A_1g	1048	966	0.00
4	A_1u	327	301	0.00
5	A_2u	3143	2897	62.98
6	A_2u	1475	1359	0.75
7	E_g	3211	2959	0.00
7	E_g	3211	2959	0.00
8	E_g	1568	1445	0.00
8	E_g	1568	1445	0.00
9	E_g	1278	1178	0.00
9	E_g	1278	1178	0.00
10	E_u	3233	2980	74.87
10	E_u	3233	2980	74.87
11	E_u	1572	1449	8.41
11	E_u	1572	1449	8.41
12	E_u	852	786	2.08
12	E_u	852	786	2.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.763
C2	0.000	0.000	-0.763
H3	0.000	1.014	1.155
H4	-0.878	-0.507	1.155
H5	0.878	-0.507	1.155
H6	0.000	-1.014	-1.155
H7	-0.878	0.507	-1.155
H8	0.878	0.507	-1.155

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5253	1.0877	1.0877	1.0877	2.1697	2.1697	2.1697
C2	1.5253		2.1697	2.1697	2.1697	1.0877	1.0877	1.0877
H3	1.0877	2.1697		1.7568	1.7568	3.0748	2.5235	2.5235
H4	1.0877	2.1697	1.7568		1.7568	2.5235	2.5235	3.0748
H5	1.0877	2.1697	1.7568	1.7568		2.5235	3.0748	2.5235
H6	2.1697	1.0877	3.0748	2.5235	2.5235		1.7568	1.7568
H7	2.1697	1.0877	2.5235	2.5235	3.0748	1.7568		1.7568
H8	2.1697	1.0877	2.5235	3.0748	2.5235	1.7568	1.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.163	C1	C2	H7	111.163
C1	C2	H8	111.163	C2	C1	H3	111.163
C2	C1	H4	111.163	C2	C1	H5	111.163
H3	C1	H4	107.728	H3	C1	H5	107.728
H4	C1	H5	107.728	H6	C2	H7	107.728
H6	C2	H8	107.728	H7	C2	H8	107.728

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CISD/6-31+G**

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: CISD/6-31+G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)