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	hartrees
Energy at 0K	-79.583034
Energy at 298.15K	-79.589002
HF Energy	-79.238218
Nuclear repulsion energy	42.381458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3143	3143	0.00
2	A_1g	1499	1499	0.00
3	A_1g	1049	1049	0.00
4	A_1u	333	333	0.00
5	A_2u	3142	3142	50.23
6	A_2u	1468	1468	0.24
7	E_g	3215	3215	0.00
7	E_g	3215	3215	0.00
8	E_g	1569	1569	0.00
8	E_g	1569	1569	0.00
9	E_g	1275	1275	0.00
9	E_g	1275	1275	0.00
10	E_u	3236	3236	65.57
10	E_u	3236	3236	65.57
11	E_u	1575	1575	5.96
11	E_u	1575	1575	5.96
12	E_u	848	848	2.82
12	E_u	848	848	2.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.762
C2	0.000	0.000	-0.762
H3	0.000	1.014	1.155
H4	-0.878	-0.507	1.155
H5	0.878	-0.507	1.155
H6	0.000	-1.014	-1.155
H7	-0.878	0.507	-1.155
H8	0.878	0.507	-1.155

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5244	1.0875	1.0875	1.0875	2.1687	2.1687	2.1687
C2	1.5244		2.1687	2.1687	2.1687	1.0875	1.0875	1.0875
H3	1.0875	2.1687		1.7567	1.7567	3.0737	2.5222	2.5222
H4	1.0875	2.1687	1.7567		1.7567	2.5222	2.5222	3.0737
H5	1.0875	2.1687	1.7567	1.7567		2.5222	3.0737	2.5222
H6	2.1687	1.0875	3.0737	2.5222	2.5222		1.7567	1.7567
H7	2.1687	1.0875	2.5222	2.5222	3.0737	1.7567		1.7567
H8	2.1687	1.0875	2.5222	3.0737	2.5222	1.7567	1.7567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.154	C1	C2	H7	111.154
C1	C2	H8	111.154	C2	C1	H3	111.154
C2	C1	H4	111.154	C2	C1	H5	111.154
H3	C1	H4	107.737	H3	C1	H5	107.737
H4	C1	H5	107.737	H6	C2	H7	107.737
H6	C2	H8	107.737	H7	C2	H8	107.737

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP3=FULL/6-31G**

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=FULL/6-31G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)