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	hartrees
Energy at 0K	-79.601230
Energy at 298.15K	-79.607181
HF Energy	-79.251458
Nuclear repulsion energy	42.154175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3083	3083	0.00
2	A_1g	1460	1460	0.00
3	A_1g	1032	1032	0.00
4	A_1u	328	328	0.00
5	A_2u	3082	3082	53.81
6	A_2u	1431	1431	0.81
7	E_g	3145	3145	0.00
7	E_g	3145	3145	0.00
8	E_g	1527	1527	0.00
8	E_g	1527	1527	0.00
9	E_g	1247	1247	0.00
9	E_g	1247	1247	0.00
10	E_u	3168	3168	67.71
10	E_u	3168	3168	67.71
11	E_u	1530	1530	7.89
11	E_u	1530	1530	7.89
12	E_u	835	835	2.54
12	E_u	835	835	2.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.766
C2	0.000	0.000	-0.766
H3	0.000	1.021	1.160
H4	-0.884	-0.510	1.160
H5	0.884	-0.510	1.160
H6	0.000	-1.021	-1.160
H7	-0.884	0.510	-1.160
H8	0.884	0.510	-1.160

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5321	1.0939	1.0939	1.0939	2.1795	2.1795	2.1795
C2	1.5321		2.1795	2.1795	2.1795	1.0939	1.0939	1.0939
H3	1.0939	2.1795		1.7676	1.7676	3.0897	2.5341	2.5341
H4	1.0939	2.1795	1.7676		1.7676	2.5341	2.5341	3.0897
H5	1.0939	2.1795	1.7676	1.7676		2.5341	3.0897	2.5341
H6	2.1795	1.0939	3.0897	2.5341	2.5341		1.7676	1.7676
H7	2.1795	1.0939	2.5341	2.5341	3.0897	1.7676		1.7676
H8	2.1795	1.0939	2.5341	3.0897	2.5341	1.7676	1.7676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.098	C1	C2	H7	111.098
C1	C2	H8	111.098	C2	C1	H3	111.098
C2	C1	H4	111.098	C2	C1	H5	111.098
H3	C1	H4	107.797	H3	C1	H5	107.797
H4	C1	H5	107.797	H6	C2	H7	107.797
H6	C2	H8	107.797	H7	C2	H8	107.797

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP3/6-311G**

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: MP3/6-311G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)