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	hartrees
Energy at 0K	-79.647013
Energy at 298.15K	-79.652963
HF Energy	-79.265298
Nuclear repulsion energy	42.500457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3117	3117	0.00
2	A_1g	1476	1476	0.00
3	A_1g	1041	1041	0.00
4	A_1u	314	314	0.00
5	A_2u	3115	3115	52.54
6	A_2u	1453	1453	1.13
7	E_g	3174	3174	0.00
7	E_g	3174	3174	0.00
8	E_g	1553	1553	0.00
8	E_g	1553	1553	0.00
9	E_g	1264	1264	0.00
9	E_g	1264	1264	0.00
10	E_u	3198	3198	60.38
10	E_u	3198	3198	60.39
11	E_u	1555	1555	8.42
11	E_u	1555	1555	8.42
12	E_u	846	846	2.94
12	E_u	846	846	2.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.760
C2	0.000	0.000	-0.760
H3	0.000	1.011	1.152
H4	-0.876	-0.505	1.152
H5	0.876	-0.505	1.152
H6	0.000	-1.011	-1.152
H7	-0.876	0.505	-1.152
H8	0.876	0.505	-1.152

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5199	1.0845	1.0845	1.0845	2.1631	2.1631	2.1631
C2	1.5199		2.1631	2.1631	2.1631	1.0845	1.0845	1.0845
H3	1.0845	2.1631		1.7511	1.7511	3.0659	2.5166	2.5166
H4	1.0845	2.1631	1.7511		1.7511	2.5166	2.5166	3.0659
H5	1.0845	2.1631	1.7511	1.7511		2.5166	3.0659	2.5166
H6	2.1631	1.0845	3.0659	2.5166	2.5166		1.7511	1.7511
H7	2.1631	1.0845	2.5166	2.5166	3.0659	1.7511		1.7511
H8	2.1631	1.0845	2.5166	3.0659	2.5166	1.7511	1.7511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.212	C1	C2	H7	111.212
C1	C2	H8	111.212	C2	C1	H3	111.212
C2	C1	H4	111.212	C2	C1	H5	111.212
H3	C1	H4	107.676	H3	C1	H5	107.676
H4	C1	H5	107.676	H6	C2	H7	107.676
H6	C2	H8	107.676	H7	C2	H8	107.676

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CISD/cc-pVQZ

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/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)