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	hartrees
Energy at 0K	-79.605151
Energy at 298.15K	-79.611103
HF Energy	-79.257636
Nuclear repulsion energy	42.304965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3095	2894	0.00
2	A_1g	1469	1374	0.00
3	A_1g	1027	961	0.00
4	A_1u	327	306	0.00
5	A_2u	3093	2893	55.21
6	A_2u	1441	1348	0.52
7	E_g	3156	2952	0.00
7	E_g	3156	2952	0.00
8	E_g	1525	1426	0.00
8	E_g	1525	1426	0.00
9	E_g	1253	1171	0.00
9	E_g	1253	1171	0.00
10	E_u	3179	2973	68.88
10	E_u	3179	2973	68.89
11	E_u	1528	1429	7.95
11	E_u	1528	1429	7.95
12	E_u	838	783	1.83
12	E_u	838	783	1.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.763
C2	0.000	0.000	-0.763
H3	0.000	1.017	1.156
H4	-0.880	-0.508	1.156
H5	0.880	-0.508	1.156
H6	0.000	-1.017	-1.156
H7	-0.880	0.508	-1.156
H8	0.880	0.508	-1.156

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5264	1.0899	1.0899	1.0899	2.1721	2.1721	2.1721
C2	1.5264		2.1721	2.1721	2.1721	1.0899	1.0899	1.0899
H3	1.0899	2.1721		1.7607	1.7607	3.0793	2.5262	2.5262
H4	1.0899	2.1721	1.7607		1.7607	2.5262	2.5262	3.0793
H5	1.0899	2.1721	1.7607	1.7607		2.5262	3.0793	2.5262
H6	2.1721	1.0899	3.0793	2.5262	2.5262		1.7607	1.7607
H7	2.1721	1.0899	2.5262	2.5262	3.0793	1.7607		1.7607
H8	2.1721	1.0899	2.5262	3.0793	2.5262	1.7607	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.143	C1	C2	H7	111.143
C1	C2	H8	111.143	C2	C1	H3	111.143
C2	C1	H4	111.143	C2	C1	H5	111.143
H3	C1	H4	107.749	H3	C1	H5	107.749
H4	C1	H5	107.749	H6	C2	H7	107.749
H6	C2	H8	107.749	H7	C2	H8	107.749

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₆ (Ethane)