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	hartrees
Energy at 0K	-79.640499
Energy at 298.15K	-79.646452
HF Energy	-79.251493
Nuclear repulsion energy	42.185290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3089	3089	0.00
2	A_1g	1461	1461	0.00
3	A_1g	1036	1036	0.00
4	A_1u	329	329	0.00
5	A_2u	3088	3088	53.42
6	A_2u	1431	1431	0.95
7	E_g	3152	3152	0.00
7	E_g	3152	3152	0.00
8	E_g	1526	1526	0.00
8	E_g	1526	1526	0.00
9	E_g	1248	1248	0.00
9	E_g	1248	1248	0.00
10	E_u	3174	3174	66.77
10	E_u	3174	3174	66.77
11	E_u	1530	1530	8.11
11	E_u	1530	1530	8.11
12	E_u	837	837	2.63
12	E_u	837	837	2.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.765
C2	0.000	0.000	-0.765
H3	0.000	1.020	1.159
H4	-0.883	-0.510	1.159
H5	0.883	-0.510	1.159
H6	0.000	-1.020	-1.159
H7	-0.883	0.510	-1.159
H8	0.883	0.510	-1.159

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5302	1.0934	1.0934	1.0934	2.1777	2.1777	2.1777
C2	1.5302		2.1777	2.1777	2.1777	1.0934	1.0934	1.0934
H3	1.0934	2.1777		1.7667	1.7667	3.0879	2.5326	2.5326
H4	1.0934	2.1777	1.7667		1.7667	2.5326	2.5326	3.0879
H5	1.0934	2.1777	1.7667	1.7667		2.5326	3.0879	2.5326
H6	2.1777	1.0934	3.0879	2.5326	2.5326		1.7667	1.7667
H7	2.1777	1.0934	2.5326	2.5326	3.0879	1.7667		1.7667
H8	2.1777	1.0934	2.5326	3.0879	2.5326	1.7667	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.118	C1	C2	H7	111.118
C1	C2	H8	111.118	C2	C1	H3	111.118
C2	C1	H4	111.118	C2	C1	H5	111.118
H3	C1	H4	107.775	H3	C1	H5	107.775
H4	C1	H5	107.775	H6	C2	H7	107.775
H6	C2	H8	107.775	H7	C2	H8	107.775

All results from a given calculation for C₂H₆ (Ethane)

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

States and conformations

All results from a given calculation for C₂H₆ (Ethane)