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	hartrees
Energy at 0K	-79.597159
Energy at 298.15K	-79.603105
HF Energy	-79.238659
Nuclear repulsion energy	42.262803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3096	3096
2	A_1g	1475	1475
3	A_1g	1030	1030
4	A_1u	326	326
5	A_2u	3093	3093
6	A_2u	1447	1447
7	E_g	3167	3167
7	E_g	3167	3167
8	E_g	1541	1541
8	E_g	1541	1541
9	E_g	1255	1255
9	E_g	1255	1255
10	E_u	3188	3188
10	E_u	3188	3188
11	E_u	1545	1545
11	E_u	1545	1545
12	E_u	836	836
12	E_u	836	836

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.764
C2	0.000	0.000	-0.764
H3	0.000	1.017	1.158
H4	-0.881	-0.509	1.158
H5	0.881	-0.509	1.158
H6	0.000	-1.017	-1.158
H7	-0.881	0.509	-1.158
H8	0.881	0.509	-1.158

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5283	1.0909	1.0909	1.0909	2.1746	2.1746	2.1746
C2	1.5283		2.1746	2.1746	2.1746	1.0909	1.0909	1.0909
H3	1.0909	2.1746		1.7622	1.7622	3.0826	2.5292	2.5292
H4	1.0909	2.1746	1.7622		1.7622	2.5292	2.5292	3.0826
H5	1.0909	2.1746	1.7622	1.7622		2.5292	3.0826	2.5292
H6	2.1746	1.0909	3.0826	2.5292	2.5292		1.7622	1.7622
H7	2.1746	1.0909	2.5292	2.5292	3.0826	1.7622		1.7622
H8	2.1746	1.0909	2.5292	3.0826	2.5292	1.7622	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.153	C1	C2	H7	111.153
C1	C2	H8	111.153	C2	C1	H3	111.153
C2	C1	H4	111.153	C2	C1	H5	111.153
H3	C1	H4	107.739	H3	C1	H5	107.739
H4	C1	H5	107.739	H6	C2	H7	107.739
H6	C2	H8	107.739	H7	C2	H8	107.739

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP4=FULL/6-31+G**

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: MP4=FULL/6-31+G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)