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	hartrees
Energy at 0K	-14.750756
Energy at 298.15K	-14.756653
HF Energy	-14.464422
Nuclear repulsion energy	26.163783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3049	2908	0.00
2	A_1g	1456	1388	0.00
3	A_1g	1026	978	0.00
4	A_1u	311	296	0.00
5	A_2u	3043	2902	73.51
6	A_2u	1416	1351	1.32
7	E_g	3107	2963	0.00
7	E_g	3107	2963	0.00
8	E_g	1509	1439	0.00
8	E_g	1509	1439	0.00
9	E_g	1228	1171	0.00
9	E_g	1228	1171	0.00
10	E_u	3129	2984	114.12
10	E_u	3129	2984	114.12
11	E_u	1510	1440	9.10
11	E_u	1510	1440	9.10
12	E_u	822	784	5.07
12	E_u	822	784	5.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.776
C2	0.000	0.000	-0.776
H3	0.000	1.036	1.174
H4	-0.897	-0.518	1.174
H5	0.897	-0.518	1.174
H6	0.000	-1.036	-1.174
H7	-0.897	0.518	-1.174
H8	0.897	0.518	-1.174

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5529	1.1095	1.1095	1.1095	2.2085	2.2085	2.2085
C2	1.5529		2.2085	2.2085	2.2085	1.1095	1.1095	1.1095
H3	1.1095	2.2085		1.7940	1.7940	3.1314	2.5665	2.5665
H4	1.1095	2.2085	1.7940		1.7940	2.5665	2.5665	3.1314
H5	1.1095	2.2085	1.7940	1.7940		2.5665	3.1314	2.5665
H6	2.2085	1.1095	3.1314	2.5665	2.5665		1.7940	1.7940
H7	2.2085	1.1095	2.5665	2.5665	3.1314	1.7940		1.7940
H8	2.2085	1.1095	2.5665	3.1314	2.5665	1.7940	1.7940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.003	C1	C2	H7	111.003
C1	C2	H8	111.003	C2	C1	H3	111.003
C2	C1	H4	111.003	C2	C1	H5	111.003
H3	C1	H4	107.897	H3	C1	H5	107.897
H4	C1	H5	107.897	H6	C2	H7	107.897
H6	C2	H8	107.897	H7	C2	H8	107.897

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD/CEP-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/CEP-31G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)