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	hartrees
Energy at 0K	-78.444329
Energy at 298.15K	-78.450188
HF Energy	-78.303669
Nuclear repulsion energy	41.573521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3342	3342	0.00
2	A_1g	1630	1630	0.00
3	A_1g	1115	1115	0.00
4	A_1u	297	297	0.00
5	A_2u	3331	3331	6.81
6	A_2u	1595	1595	1.06
7	E_g	3488	3488	0.00
7	E_g	3488	3488	0.00
8	E_g	1708	1708	0.00
8	E_g	1708	1708	0.00
9	E_g	1358	1358	0.00
9	E_g	1358	1358	0.00
10	E_u	3500	3500	7.67
10	E_u	3500	3500	7.67
11	E_u	1724	1724	1.86
11	E_u	1724	1724	1.86
12	E_u	912	912	2.92
12	E_u	912	912	2.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.779
C2	0.000	0.000	-0.779
H3	0.000	1.036	1.171
H4	-0.897	-0.518	1.171
H5	0.897	-0.518	1.171
H6	0.000	-1.036	-1.171
H7	-0.897	0.518	-1.171
H8	0.897	0.518	-1.171

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5584	1.1073	1.1073	1.1073	2.2081	2.2081	2.2081
C2	1.5584		2.2081	2.2081	2.2081	1.1073	1.1073	1.1073
H3	1.1073	2.2081		1.7939	1.7939	3.1266	2.5608	2.5608
H4	1.1073	2.2081	1.7939		1.7939	2.5608	2.5608	3.1266
H5	1.1073	2.2081	1.7939	1.7939		2.5608	3.1266	2.5608
H6	2.2081	1.1073	3.1266	2.5608	2.5608		1.7939	1.7939
H7	2.2081	1.1073	2.5608	2.5608	3.1266	1.7939		1.7939
H8	2.2081	1.1073	2.5608	3.1266	2.5608	1.7939	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.722	C1	C2	H7	110.722
C1	C2	H8	110.722	C2	C1	H3	110.722
C2	C1	H4	110.722	C2	C1	H5	110.722
H3	C1	H4	108.192	H3	C1	H5	108.192
H4	C1	H5	108.192	H6	C2	H7	108.192
H6	C2	H8	108.192	H7	C2	H8	108.192

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CISD/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: CISD/STO-3G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)