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	hartrees
Energy at 0K	-79.674220
Energy at 298.15K	-79.680141
HF Energy	-79.260486
Nuclear repulsion energy	42.461769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_1g	3091	3091	0.00	340.45	0.00	0.01
2	A_1g	1437	1437	0.00	0.19	0.18	0.30
3	A_1g	1032	1032	0.00	12.91	0.17	0.29
4	A_1u	312	312	0.00	0.00	0.42	0.60
5	A_2u	3091	3091	47.87	0.00	0.00	0.01
6	A_2u	1422	1422	1.47	0.00	0.65	0.78
7	E_g	3146	3146	0.00	107.47	0.75	0.86
7	E_g	3146	3146	0.00	107.47	0.75	0.86
8	E_g	1533	1533	0.00	7.74	0.75	0.86
8	E_g	1533	1533	0.00	7.74	0.75	0.86
9	E_g	1236	1236	0.00	0.05	0.75	0.86
9	E_g	1236	1236	0.00	0.05	0.75	0.86
10	E_u	3169	3169	45.18	0.00	0.59	0.74
10	E_u	3169	3169	45.18	0.00	0.39	0.56
11	E_u	1532	1532	8.98	0.00	0.75	0.86
11	E_u	1532	1532	8.98	0.00	0.75	0.86
12	E_u	831	831	3.30	0.00	0.41	0.58
12	E_u	831	831	3.30	0.00	0.46	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.760
C2	0.000	0.000	-0.760
H3	0.000	1.013	1.152
H4	-0.878	-0.507	1.152
H5	0.878	-0.507	1.152
H6	0.000	-1.013	-1.152
H7	-0.878	0.507	-1.152
H8	0.878	0.507	-1.152

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5192	1.0867	1.0867	1.0867	2.1636	2.1636	2.1636
C2	1.5192		2.1636	2.1636	2.1636	1.0867	1.0867	1.0867
H3	1.0867	2.1636		1.7553	1.7553	3.0687	2.5170	2.5170
H4	1.0867	2.1636	1.7553		1.7553	2.5170	2.5170	3.0687
H5	1.0867	2.1636	1.7553	1.7553		2.5170	3.0687	2.5170
H6	2.1636	1.0867	3.0687	2.5170	2.5170		1.7553	1.7553
H7	2.1636	1.0867	2.5170	2.5170	3.0687	1.7553		1.7553
H8	2.1636	1.0867	2.5170	3.0687	2.5170	1.7553	1.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.166	C1	C2	H7	111.166
C1	C2	H8	111.166	C2	C1	H3	111.166
C2	C1	H4	111.166	C2	C1	H5	111.166
H3	C1	H4	107.724	H3	C1	H5	107.724
H4	C1	H5	107.724	H6	C2	H7	107.724
H6	C2	H8	107.724	H7	C2	H8	107.724

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP2=FULL/daug-cc-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/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)