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	hartrees
Energy at 0K	-79.605828
Energy at 298.15K	-79.611774
HF Energy	-79.251324
Nuclear repulsion energy	42.105643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3057	3057	0.00
2	A_1g	1457	1457	0.00
3	A_1g	1026	1026	0.00
4	A_1u	326	326	0.00
5	A_2u	3055	3055	55.99
6	A_2u	1428	1428	0.55
7	E_g	3115	3115	0.00
7	E_g	3115	3115	0.00
8	E_g	1522	1522	0.00
8	E_g	1522	1522	0.00
9	E_g	1245	1245	0.00
9	E_g	1245	1245	0.00
10	E_u	3138	3138	72.09
10	E_u	3138	3138	72.09
11	E_u	1527	1527	7.20
11	E_u	1527	1527	7.20
12	E_u	833	833	2.25
12	E_u	833	833	2.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.766
C2	0.000	0.000	-0.766
H3	0.000	1.022	1.161
H4	-0.885	-0.511	1.161
H5	0.885	-0.511	1.161
H6	0.000	-1.022	-1.161
H7	-0.885	0.511	-1.161
H8	0.885	0.511	-1.161

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5326	1.0958	1.0958	1.0958	2.1816	2.1816	2.1816
C2	1.5326		2.1816	2.1816	2.1816	1.0958	1.0958	1.0958
H3	1.0958	2.1816		1.7706	1.7706	3.0937	2.5369	2.5369
H4	1.0958	2.1816	1.7706		1.7706	2.5369	2.5369	3.0937
H5	1.0958	2.1816	1.7706	1.7706		2.5369	3.0937	2.5369
H6	2.1816	1.0958	3.0937	2.5369	2.5369		1.7706	1.7706
H7	2.1816	1.0958	2.5369	2.5369	3.0937	1.7706		1.7706
H8	2.1816	1.0958	2.5369	3.0937	2.5369	1.7706	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.107	C1	C2	H7	111.107
C1	C2	H8	111.107	C2	C1	H3	111.107
C2	C1	H4	111.107	C2	C1	H5	111.107
H3	C1	H4	107.787	H3	C1	H5	107.787
H4	C1	H5	107.787	H6	C2	H7	107.787
H6	C2	H8	107.787	H7	C2	H8	107.787

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)