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	hartrees
Energy at 0K	-14.715221
Energy at 298.15K	-14.721138
HF Energy	-14.465002
Nuclear repulsion energy	26.257101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3095	2917	0.00
2	A_1g	1463	1379	0.00
3	A_1g	1035	976	0.00
4	A_1u	319	301	0.00
5	A_2u	3092	2915	63.96
6	A_2u	1425	1344	2.30
7	E_g	3173	2992	0.00
7	E_g	3173	2992	0.00
8	E_g	1528	1441	0.00
8	E_g	1528	1441	0.00
9	E_g	1238	1167	0.00
9	E_g	1238	1167	0.00
10	E_u	3194	3011	90.60
10	E_u	3194	3011	90.60
11	E_u	1529	1441	11.05
11	E_u	1529	1441	11.05
12	E_u	829	781	6.46
12	E_u	829	781	6.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.775
C2	0.000	0.000	-0.775
H3	0.000	1.031	1.170
H4	-0.893	-0.516	1.170
H5	0.893	-0.516	1.170
H6	0.000	-1.031	-1.170
H7	-0.893	0.516	-1.170
H8	0.893	0.516	-1.170

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5491	1.1048	1.1048	1.1048	2.2016	2.2016	2.2016
C2	1.5491		2.2016	2.2016	2.2016	1.1048	1.1048	1.1048
H3	1.1048	2.2016		1.7865	1.7865	3.1201	2.5580	2.5580
H4	1.1048	2.2016	1.7865		1.7865	2.5580	2.5580	3.1201
H5	1.1048	2.2016	1.7865	1.7865		2.5580	3.1201	2.5580
H6	2.2016	1.1048	3.1201	2.5580	2.5580		1.7865	1.7865
H7	2.2016	1.1048	2.5580	2.5580	3.1201	1.7865		1.7865
H8	2.2016	1.1048	2.5580	3.1201	2.5580	1.7865	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.996	C1	C2	H7	110.996
C1	C2	H8	110.996	C2	C1	H3	110.996
C2	C1	H4	110.996	C2	C1	H5	110.996
H3	C1	H4	107.904	H3	C1	H5	107.904
H4	C1	H5	107.904	H6	C2	H7	107.904
H6	C2	H8	107.904	H7	C2	H8	107.904

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP2=FULL/CEP-31G*

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/CEP-31G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)