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	hartrees
Energy at 0K	-79.384741
Energy at 298.15K	-79.390669
HF Energy	-79.204181
Nuclear repulsion energy	41.584245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3028	2854	0.00
2	A_1g	1465	1381	0.00
3	A_1g	1000	943	0.00
4	A_1u	317	299	0.00
5	A_2u	3023	2850	72.18
6	A_2u	1459	1375	7.92
7	E_g	3112	2934	0.00
7	E_g	3112	2934	0.00
8	E_g	1540	1452	0.00
8	E_g	1540	1452	0.00
9	E_g	1254	1183	0.00
9	E_g	1254	1183	0.00
10	E_u	3135	2955	99.16
10	E_u	3135	2955	99.16
11	E_u	1543	1454	12.33
11	E_u	1543	1454	12.33
12	E_u	844	796	7.38
12	E_u	844	796	7.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.781
C2	0.000	0.000	-0.781
H3	0.000	1.031	1.176
H4	-0.893	-0.516	1.176
H5	0.893	-0.516	1.176
H6	0.000	-1.031	-1.176
H7	-0.893	0.516	-1.176
H8	0.893	0.516	-1.176

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5610	1.1046	1.1046	1.1046	2.2116	2.2116	2.2116
C2	1.5610		2.2116	2.2116	2.2116	1.1046	1.1046	1.1046
H3	1.1046	2.2116		1.7866	1.7866	3.1283	2.5679	2.5679
H4	1.1046	2.2116	1.7866		1.7866	2.5679	2.5679	3.1283
H5	1.1046	2.2116	1.7866	1.7866		2.5679	3.1283	2.5679
H6	2.2116	1.1046	3.1283	2.5679	2.5679		1.7866	1.7866
H7	2.2116	1.1046	2.5679	2.5679	3.1283	1.7866		1.7866
H8	2.2116	1.1046	2.5679	3.1283	2.5679	1.7866	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.969	C1	C2	H7	110.969
C1	C2	H8	110.969	C2	C1	H3	110.969
C2	C1	H4	110.969	C2	C1	H5	110.969
H3	C1	H4	107.933	H3	C1	H5	107.933
H4	C1	H5	107.933	H6	C2	H7	107.933
H6	C2	H8	107.933	H7	C2	H8	107.933

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP2=FULL/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)