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	hartrees
Energy at 0K	-79.664119
Energy at 298.15K	-79.670055
HF Energy	-79.257805
Nuclear repulsion energy	42.439623

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	3090	2913	0.00	288.36	0.01	0.01
2	A_1g	1437	1355	0.00	0.44	0.11	0.20
3	A_1g	1036	977	0.00	13.11	0.18	0.30
4	A_1u	320	301	0.00	0.00	0.00	0.00
5	A_2u	3090	2913	47.87	0.00	0.01	0.01
6	A_2u	1421	1339	1.77	0.00	0.00	0.00
7	E_g	3163	2981	0.00	108.43	0.75	0.86
7	E_g	3163	2981	0.00	108.43	0.75	0.86
8	E_g	1530	1443	0.00	8.92	0.75	0.86
8	E_g	1530	1443	0.00	8.92	0.75	0.86
9	E_g	1231	1160	0.00	0.07	0.75	0.86
9	E_g	1231	1160	0.00	0.07	0.75	0.86
10	E_u	3185	3002	45.56	0.00	0.00	0.00
10	E_u	3185	3002	45.56	0.00	0.72	0.84
11	E_u	1530	1442	9.82	0.00	0.00	0.00
11	E_u	1530	1442	9.82	0.00	0.75	0.86
12	E_u	831	783	3.48	0.00	0.00	0.00
12	E_u	831	783	3.48	0.00	0.00	0.00

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	1.154
H4	-0.877	-0.507	1.154
H5	0.877	-0.507	1.154
H6	0.000	-1.013	-1.154
H7	-0.877	0.507	-1.154
H8	0.877	0.507	-1.154

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5197	1.0872	1.0872	1.0872	2.1656	2.1656	2.1656
C2	1.5197		2.1656	2.1656	2.1656	1.0872	1.0872	1.0872
H3	1.0872	2.1656		1.7549	1.7549	3.0716	2.5208	2.5208
H4	1.0872	2.1656	1.7549		1.7549	2.5208	2.5208	3.0716
H5	1.0872	2.1656	1.7549	1.7549		2.5208	3.0716	2.5208
H6	2.1656	1.0872	3.0716	2.5208	2.5208		1.7549	1.7549
H7	2.1656	1.0872	2.5208	2.5208	3.0716	1.7549		1.7549
H8	2.1656	1.0872	2.5208	3.0716	2.5208	1.7549	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.262	C1	C2	H7	111.262
C1	C2	H8	111.262	C2	C1	H3	111.262
C2	C1	H4	111.262	C2	C1	H5	111.262
H3	C1	H4	107.623	H3	C1	H5	107.623
H4	C1	H5	107.623	H6	C2	H7	107.623
H6	C2	H8	107.623	H7	C2	H8	107.623

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₆ (Ethane)