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	hartrees
Energy at 0K	-79.629668
Energy at 298.15K	-79.635596
HF Energy	-79.258654
Nuclear repulsion energy	42.367142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3075	2921	0.00
2	A_1g	1431	1360	0.00
3	A_1g	1029	977	0.00
4	A_1u	320	304	0.00
5	A_2u	3076	2922	47.39
6	A_2u	1415	1344	1.31
7	E_g	3150	2993	0.00
7	E_g	3150	2993	0.00
8	E_g	1524	1448	0.00
8	E_g	1524	1448	0.00
9	E_g	1229	1167	0.00
9	E_g	1229	1167	0.00
10	E_u	3172	3014	46.16
10	E_u	3172	3014	46.16
11	E_u	1523	1447	8.99
11	E_u	1523	1447	8.99
12	E_u	829	788	3.18
12	E_u	829	788	3.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.762
C2	0.000	0.000	-0.762
H3	0.000	1.015	1.155
H4	-0.879	-0.507	1.155
H5	0.879	-0.507	1.155
H6	0.000	-1.015	-1.155
H7	-0.879	0.507	-1.155
H8	0.879	0.507	-1.155

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5238	1.0884	1.0884	1.0884	2.1692	2.1692	2.1692
C2	1.5238		2.1692	2.1692	2.1692	1.0884	1.0884	1.0884
H3	1.0884	2.1692		1.7578	1.7578	3.0755	2.5237	2.5237
H4	1.0884	2.1692	1.7578		1.7578	2.5237	2.5237	3.0755
H5	1.0884	2.1692	1.7578	1.7578		2.5237	3.0755	2.5237
H6	2.1692	1.0884	3.0755	2.5237	2.5237		1.7578	1.7578
H7	2.1692	1.0884	2.5237	2.5237	3.0755	1.7578		1.7578
H8	2.1692	1.0884	2.5237	3.0755	2.5237	1.7578	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.189	C1	C2	H7	111.189
C1	C2	H8	111.189	C2	C1	H3	111.189
C2	C1	H4	111.189	C2	C1	H5	111.189
H3	C1	H4	107.700	H3	C1	H5	107.700
H4	C1	H5	107.700	H6	C2	H7	107.700
H6	C2	H8	107.700	H7	C2	H8	107.700

All results from a given calculation for C₂H₆ (Ethane)

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

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: MP2/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₂H₆ (Ethane)