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	hartrees
Energy at 0K	-14.786707
Energy at 298.15K	-14.792616
HF Energy	-14.473269
Nuclear repulsion energy	26.350541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3012	2841
2	A_1g	1453	1370
3	A_1g	1008	951
4	A_1u	319	301
5	A_2u	3007	2836
6	A_2u	1422	1342
7	E_g	3077	2902
7	E_g	3077	2902
8	E_g	1515	1429
8	E_g	1515	1429
9	E_g	1230	1160
9	E_g	1230	1160
10	E_u	3100	2923
10	E_u	3100	2923
11	E_u	1523	1437
11	E_u	1523	1436
12	E_u	812	766
12	E_u	812	766

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.773
C2	0.000	0.000	-0.773
H3	0.000	1.027	1.167
H4	-0.889	-0.513	1.167
H5	0.889	-0.513	1.167
H6	0.000	-1.027	-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		1.5450	1.1000	1.1000	1.1000	2.1947	2.1947	2.1947
C2	1.5450		2.1947	2.1947	2.1947	1.1000	1.1000	1.1000
H3	1.1000	2.1947		1.7783	1.7783	3.1090	2.5503	2.5503
H4	1.1000	2.1947	1.7783		1.7783	2.5503	2.5503	3.1090
H5	1.1000	2.1947	1.7783	1.7783		2.5503	3.1090	2.5503
H6	2.1947	1.1000	3.1090	2.5503	2.5503		1.7783	1.7783
H7	2.1947	1.1000	2.5503	2.5503	3.1090	1.7783		1.7783
H8	2.1947	1.1000	2.5503	3.1090	2.5503	1.7783	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.029	C1	C2	H7	111.029
C1	C2	H8	111.029	C2	C1	H3	111.029
C2	C1	H4	111.029	C2	C1	H5	111.029
H3	C1	H4	107.869	H3	C1	H5	107.869
H4	C1	H5	107.869	H6	C2	H7	107.869
H6	C2	H8	107.869	H7	C2	H8	107.869

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD(T)/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: CCSD(T)/CEP-121G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)