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	hartrees
Energy at 0K	-14.784607
Energy at 298.15K	-14.790519
HF Energy	-14.473340
Nuclear repulsion energy	26.364233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3020	2850
2	A_1g	1454	1372
3	A_1g	1010	954
4	A_1u	321	303
5	A_2u	3016	2846
6	A_2u	1424	1344
7	E_g	3090	2917
7	E_g	3090	2917
8	E_g	1518	1433
8	E_g	1517	1432
9	E_g	1231	1162
9	E_g	1231	1162
10	E_u	3113	2938
10	E_u	3113	2938
11	E_u	1526	1440
11	E_u	1525	1440
12	E_u	813	767
12	E_u	813	767

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.772
C2	0.000	0.000	-0.772
H3	0.000	1.026	1.167
H4	-0.889	-0.513	1.167
H5	0.889	-0.513	1.167
H6	0.000	-1.026	-1.167
H7	-0.889	0.513	-1.167
H8	0.889	0.513	-1.167

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5444	1.0993	1.0993	1.0993	2.1938	2.1938	2.1938
C2	1.5444		2.1938	2.1938	2.1938	1.0993	1.0993	1.0993
H3	1.0993	2.1938		1.7771	1.7771	3.1075	2.5493	2.5493
H4	1.0993	2.1938	1.7771		1.7771	2.5493	2.5493	3.1075
H5	1.0993	2.1938	1.7771	1.7771		2.5493	3.1075	2.5493
H6	2.1938	1.0993	3.1075	2.5493	2.5493		1.7771	1.7771
H7	2.1938	1.0993	2.5493	2.5493	3.1075	1.7771		1.7771
H8	2.1938	1.0993	2.5493	3.1075	2.5493	1.7771	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.038	C1	C2	H7	111.038
C1	C2	H8	111.038	C2	C1	H3	111.038
C2	C1	H4	111.038	C2	C1	H5	111.038
H3	C1	H4	107.860	H3	C1	H5	107.860
H4	C1	H5	107.860	H6	C2	H7	107.860
H6	C2	H8	107.860	H7	C2	H8	107.860

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP4/CEP-121G*

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: MP4/CEP-121G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)