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	hartrees
Energy at 0K	-14.757219
Energy at 298.15K	-14.763108
HF Energy	-14.464213
Nuclear repulsion energy	26.136908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3035	3035
2	A_1g	1447	1447
3	A_1g	1018	1018
4	A_1u	310	310
5	A_2u	3030	3030
6	A_2u	1408	1408
7	E_g	3094	3094
7	E_g	3094	3094
8	E_g	1502	1502
8	E_g	1502	1502
9	E_g	1222	1222
9	E_g	1222	1222
10	E_u	3116	3116
10	E_u	3116	3116
11	E_u	1504	1504
11	E_u	1503	1503
12	E_u	817	817
12	E_u	817	817

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.778
C2	0.000	0.000	-0.778
H3	0.000	1.037	1.175
H4	-0.898	-0.519	1.175
H5	0.898	-0.519	1.175
H6	0.000	-1.037	-1.175
H7	-0.898	0.519	-1.175
H8	0.898	0.519	-1.175

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5550	1.1107	1.1107	1.1107	2.2109	2.2109	2.2109
C2	1.5550		2.2109	2.2109	2.2109	1.1107	1.1107	1.1107
H3	1.1107	2.2109		1.7964	1.7964	3.1345	2.5687	2.5687
H4	1.1107	2.2109	1.7964		1.7964	2.5687	2.5687	3.1345
H5	1.1107	2.2109	1.7964	1.7964		2.5687	3.1345	2.5687
H6	2.2109	1.1107	3.1345	2.5687	2.5687		1.7964	1.7964
H7	2.2109	1.1107	2.5687	2.5687	3.1345	1.7964		1.7964
H8	2.2109	1.1107	2.5687	3.1345	2.5687	1.7964	1.7964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.968	C1	C2	H7	110.968
C1	C2	H8	110.968	C2	C1	H3	110.968
C2	C1	H4	110.968	C2	C1	H5	110.968
H3	C1	H4	107.934	H3	C1	H5	107.934
H4	C1	H5	107.934	H6	C2	H7	107.934
H6	C2	H8	107.934	H7	C2	H8	107.934

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD(TQ)/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: QCISD(TQ)/CEP-31G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)