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	hartrees
Energy at 0K	-14.622678
Energy at 298.15K	-14.628609
HF Energy	-14.438051
Nuclear repulsion energy	26.193933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2973	2803	0.00
2	A_1g	1460	1376	0.00
3	A_1g	998	941	0.00
4	A_1u	316	298	0.00
5	A_2u	2965	2795	80.22
6	A_2u	1449	1366	2.56
7	E_g	3056	2881	0.00
7	E_g	3056	2881	0.00
8	E_g	1517	1430	0.00
8	E_g	1517	1430	0.00
9	E_g	1247	1176	0.00
9	E_g	1247	1176	0.00
10	E_u	3081	2905	105.90
10	E_u	3081	2905	105.90
11	E_u	1530	1442	10.44
11	E_u	1530	1442	10.44
12	E_u	822	775	3.35
12	E_u	822	775	3.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.781
C2	0.000	0.000	-0.781
H3	0.000	1.030	1.177
H4	-0.892	-0.515	1.177
H5	0.892	-0.515	1.177
H6	0.000	-1.030	-1.177
H7	-0.892	0.515	-1.177
H8	0.892	0.515	-1.177

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5628	1.1032	1.1032	1.1032	2.2123	2.2123	2.2123
C2	1.5628		2.2123	2.2123	2.2123	1.1032	1.1032	1.1032
H3	1.1032	2.2123		1.7841	1.7841	3.1274	2.5686	2.5686
H4	1.1032	2.2123	1.7841		1.7841	2.5686	2.5686	3.1274
H5	1.1032	2.2123	1.7841	1.7841		2.5686	3.1274	2.5686
H6	2.2123	1.1032	3.1274	2.5686	2.5686		1.7841	1.7841
H7	2.2123	1.1032	2.5686	2.5686	3.1274	1.7841		1.7841
H8	2.2123	1.1032	2.5686	3.1274	2.5686	1.7841	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.986	C1	C2	H7	110.986
C1	C2	H8	110.986	C2	C1	H3	110.986
C2	C1	H4	110.986	C2	C1	H5	110.986
H3	C1	H4	107.915	H3	C1	H5	107.915
H4	C1	H5	107.915	H6	C2	H7	107.915
H6	C2	H8	107.915	H7	C2	H8	107.915

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP2=FULL/CEP-121G

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=FULL/CEP-121G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)