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	hartrees
Energy at 0K	-79.581211
Energy at 298.15K	-79.587080
HF Energy	-79.244228
Nuclear repulsion energy	42.023766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3048	3048	0.00
2	A_1g	1409	1409	0.00
3	A_1g	1040	1040	0.00
4	A_1u	282	282	0.00
5	A_2u	3048	3048	51.59
6	A_2u	1391	1391	0.42
7	E_g	3134	3134	0.00
7	E_g	3134	3134	0.00
8	E_g	1489	1489	0.00
8	E_g	1489	1489	0.00
9	E_g	1194	1194	0.00
9	E_g	1194	1194	0.00
10	E_u	3158	3158	51.42
10	E_u	3158	3158	51.42
11	E_u	1495	1495	7.63
11	E_u	1495	1495	7.63
12	E_u	807	807	2.56
12	E_u	807	807	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.763
C2	0.000	0.000	-0.763
H3	0.000	1.027	1.165
H4	-0.889	-0.513	1.165
H5	0.889	-0.513	1.165
H6	0.000	-1.027	-1.165
H7	-0.889	0.513	-1.165
H8	0.889	0.513	-1.165

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5263	1.1026	1.1026	1.1026	2.1844	2.1844	2.1844
C2	1.5263		2.1844	2.1844	2.1844	1.1026	1.1026	1.1026
H3	1.1026	2.1844		1.7785	1.7785	3.1057	2.5460	2.5460
H4	1.1026	2.1844	1.7785		1.7785	2.5460	2.5460	3.1057
H5	1.1026	2.1844	1.7785	1.7785		2.5460	3.1057	2.5460
H6	2.1844	1.1026	3.1057	2.5460	2.5460		1.7785	1.7785
H7	2.1844	1.1026	2.5460	2.5460	3.1057	1.7785		1.7785
H8	2.1844	1.1026	2.5460	3.1057	2.5460	1.7785	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.367	C1	C2	H7	111.367
C1	C2	H8	111.367	C2	C1	H3	111.367
C2	C1	H4	111.367	C2	C1	H5	111.367
H3	C1	H4	107.511	H3	C1	H5	107.511
H4	C1	H5	107.511	H6	C2	H7	107.511
H6	C2	H8	107.511	H7	C2	H8	107.511

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP2=FULL/Sadlej_pVTZ

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/Sadlej_pVTZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)