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	hartrees
Energy at 0K	-78.455058
Energy at 298.15K	-78.460892
HF Energy	-78.302533
Nuclear repulsion energy	41.430581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3276	3276
2	A_1g	1604	1604
3	A_1g	1097	1097
4	A_1u	291	291
5	A_2u	3277	3277
6	A_2u	1572	1572
7	E_g	3432	3432
7	E_g	3432	3432
8	E_g	1684	1684
8	E_g	1684	1684
9	E_g	1338	1338
9	E_g	1338	1338
10	E_u	3444	3444
10	E_u	3444	3444
11	E_u	1700	1700
11	E_u	1700	1700
12	E_u	899	899
12	E_u	899	899

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.781
C2	0.000	0.000	-0.781
H3	0.000	1.040	1.175
H4	-0.900	-0.520	1.175
H5	0.900	-0.520	1.175
H6	0.000	-1.040	-1.175
H7	-0.900	0.520	-1.175
H8	0.900	0.520	-1.175

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5628	1.1118	1.1118	1.1118	2.2155	2.2155	2.2155
C2	1.5628		2.2155	2.2155	2.2155	1.1118	1.1118	1.1118
H3	1.1118	2.2155		1.8010	1.8010	3.1379	2.5696	2.5696
H4	1.1118	2.2155	1.8010		1.8010	2.5696	2.5696	3.1379
H5	1.1118	2.2155	1.8010	1.8010		2.5696	3.1379	2.5696
H6	2.2155	1.1118	3.1379	2.5696	2.5696		1.8010	1.8010
H7	2.2155	1.1118	2.5696	2.5696	3.1379	1.8010		1.8010
H8	2.2155	1.1118	2.5696	3.1379	2.5696	1.8010	1.8010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.727	C1	C2	H7	110.727
C1	C2	H8	110.727	C2	C1	H3	110.727
C2	C1	H4	110.727	C2	C1	H5	110.727
H3	C1	H4	108.187	H3	C1	H5	108.187
H4	C1	H5	108.187	H6	C2	H7	108.187
H6	C2	H8	108.187	H7	C2	H8	108.187

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD(T)=FULL/STO-3G

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)=FULL/STO-3G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)