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	hartrees
Energy at 0K	-79.632195
Energy at 298.15K	-79.638128
HF Energy	-79.260347
Nuclear repulsion energy	42.379266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3081	2937	0.00
2	A_1g	1430	1364	0.00
3	A_1g	1028	980	0.00
4	A_1u	315	301	0.00
5	A_2u	3083	2939	47.54
6	A_2u	1411	1345	1.35
7	E_g	3156	3008	0.00
7	E_g	3156	3008	0.00
8	E_g	1523	1452	0.00
8	E_g	1523	1452	0.00
9	E_g	1230	1172	0.00
9	E_g	1230	1172	0.00
10	E_u	3178	3029	47.83
10	E_u	3178	3029	47.83
11	E_u	1523	1452	8.57
11	E_u	1523	1452	8.57
12	E_u	827	788	3.39
12	E_u	827	788	3.39

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		1.5232	1.0881	1.0881	1.0881	2.1689	2.1689	2.1689
C2	1.5232		2.1689	2.1689	2.1689	1.0881	1.0881	1.0881
H3	1.0881	2.1689		1.7569	1.7569	3.0750	2.5237	2.5237
H4	1.0881	2.1689	1.7569		1.7570	2.5237	2.5237	3.0750
H5	1.0881	2.1689	1.7569	1.7570		2.5237	3.0750	2.5237
H6	2.1689	1.0881	3.0750	2.5237	2.5237		1.7569	1.7569
H7	2.1689	1.0881	2.5237	2.5237	3.0750	1.7569		1.7570
H8	2.1689	1.0881	2.5237	3.0750	2.5237	1.7569	1.7570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.219	C1	C2	H7	111.219
C1	C2	H8	111.219	C2	C1	H3	111.219
C2	C1	H4	111.219	C2	C1	H5	111.219
H3	C1	H4	107.668	H3	C1	H5	107.668
H4	C1	H5	107.668	H6	C2	H7	107.668
H6	C2	H8	107.668	H7	C2	H8	107.668

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP2/cc-pCVTZ

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: MP2/cc-pCVTZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)