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	hartrees
Energy at 0K	-79.417743
Energy at 298.15K	-79.423647
HF Energy	-79.203739
Nuclear repulsion energy	41.455605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2977	2839	0.00
2	A_1g	1450	1383	0.00
3	A_1g	988	942	0.00
4	A_1u	310	295	0.00
5	A_2u	2970	2832	73.25
6	A_2u	1444	1377	6.86
7	E_g	3043	2902	0.00
7	E_g	3043	2902	0.00
8	E_g	1517	1446	0.00
8	E_g	1517	1446	0.00
9	E_g	1239	1182	0.00
9	E_g	1239	1182	0.00
10	E_u	3067	2925	107.65
10	E_u	3067	2925	107.65
11	E_u	1521	1451	11.10
11	E_u	1521	1451	11.10
12	E_u	833	795	6.26
12	E_u	833	795	6.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.782
C2	0.000	0.000	-0.782
H3	0.000	1.036	1.179
H4	-0.897	-0.518	1.179
H5	0.897	-0.518	1.179
H6	0.000	-1.036	-1.179
H7	-0.897	0.518	-1.179
H8	0.897	0.518	-1.179

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5644	1.1089	1.1089	1.1089	2.2177	2.2177	2.2177
C2	1.5644		2.2177	2.2177	2.2177	1.1089	1.1089	1.1089
H3	1.1089	2.2177		1.7936	1.7936	3.1383	2.5752	2.5752
H4	1.1089	2.2177	1.7936		1.7936	2.5752	2.5752	3.1383
H5	1.1089	2.2177	1.7936	1.7936		2.5752	3.1383	2.5752
H6	2.2177	1.1089	3.1383	2.5752	2.5752		1.7936	1.7936
H7	2.2177	1.1089	2.5752	2.5752	3.1383	1.7936		1.7936
H8	2.2177	1.1089	2.5752	3.1383	2.5752	1.7936	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.962	C1	C2	H7	110.962
C1	C2	H8	110.962	C2	C1	H3	110.962
C2	C1	H4	110.962	C2	C1	H5	110.962
H3	C1	H4	107.940	H3	C1	H5	107.940
H4	C1	H5	107.940	H6	C2	H7	107.940
H6	C2	H8	107.940	H7	C2	H8	107.940

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD/SDD

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: QCISD/SDD

States and conformations

All results from a given calculation for C₂H₆ (Ethane)