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	hartrees
Energy at 0K	-14.752962
Energy at 298.15K	-14.758902
HF Energy	-14.473764
Nuclear repulsion energy	26.484936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3091	2856	0.00
2	A_1g	1489	1376	0.00
3	A_1g	1032	953	0.00
4	A_1u	321	297	0.00
5	A_2u	3084	2849	67.10
6	A_2u	1456	1345	1.36
7	E_g	3156	2916	0.00
7	E_g	3156	2916	0.00
8	E_g	1551	1433	0.00
8	E_g	1551	1433	0.00
9	E_g	1259	1163	0.00
9	E_g	1259	1163	0.00
10	E_u	3179	2937	87.66
10	E_u	3179	2937	87.66
11	E_u	1558	1439	10.18
11	E_u	1558	1439	10.18
12	E_u	833	770	2.48
12	E_u	833	770	2.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.769
C2	0.000	0.000	-0.769
H3	0.000	1.021	1.163
H4	-0.884	-0.510	1.163
H5	0.884	-0.510	1.163
H6	0.000	-1.021	-1.163
H7	-0.884	0.510	-1.163
H8	0.884	0.510	-1.163

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5388	1.0938	1.0938	1.0938	2.1851	2.1851	2.1851
C2	1.5388		2.1851	2.1851	2.1851	1.0938	1.0938	1.0938
H3	1.0938	2.1851		1.7678	1.7678	3.0943	2.5396	2.5396
H4	1.0938	2.1851	1.7678		1.7678	2.5396	2.5396	3.0943
H5	1.0938	2.1851	1.7678	1.7678		2.5396	3.0943	2.5396
H6	2.1851	1.0938	3.0943	2.5396	2.5396		1.7678	1.7678
H7	2.1851	1.0938	2.5396	2.5396	3.0943	1.7678		1.7678
H8	2.1851	1.0938	2.5396	3.0943	2.5396	1.7678	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.076	C1	C2	H7	111.076
C1	C2	H8	111.076	C2	C1	H3	111.076
C2	C1	H4	111.076	C2	C1	H5	111.076
H3	C1	H4	107.820	H3	C1	H5	107.820
H4	C1	H5	107.820	H6	C2	H7	107.820
H6	C2	H8	107.820	H7	C2	H8	107.820

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CID/CEP-121G*

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: CID/CEP-121G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)