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	hartrees
Energy at 0K	-79.598430
Energy at 298.15K	-79.604373
HF Energy	-79.238636
Nuclear repulsion energy	42.244422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3088	3088
2	A_1g	1473	1473
3	A_1g	1028	1028
4	A_1u	325	325
5	A_2u	3085	3085
6	A_2u	1446	1446
7	E_g	3155	3155
7	E_g	3155	3155
8	E_g	1539	1539
8	E_g	1538	1538
9	E_g	1253	1253
9	E_g	1253	1253
10	E_u	3177	3177
10	E_u	3177	3177
11	E_u	1543	1543
11	E_u	1542	1542
12	E_u	835	835
12	E_u	835	835

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.764
C2	0.000	0.000	-0.764
H3	0.000	1.018	1.158
H4	-0.882	-0.509	1.158
H5	0.882	-0.509	1.158
H6	0.000	-1.018	-1.158
H7	-0.882	0.509	-1.158
H8	0.882	0.509	-1.158

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5289	1.0914	1.0914	1.0914	2.1755	2.1755	2.1755
C2	1.5289		2.1755	2.1755	2.1755	1.0914	1.0914	1.0914
H3	1.0914	2.1755		1.7631	1.7631	3.0838	2.5301	2.5301
H4	1.0914	2.1755	1.7631		1.7631	2.5301	2.5301	3.0838
H5	1.0914	2.1755	1.7631	1.7631		2.5301	3.0838	2.5301
H6	2.1755	1.0914	3.0838	2.5301	2.5301		1.7631	1.7631
H7	2.1755	1.0914	2.5301	2.5301	3.0838	1.7631		1.7631
H8	2.1755	1.0914	2.5301	3.0838	2.5301	1.7631	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.144	C1	C2	H7	111.144
C1	C2	H8	111.144	C2	C1	H3	111.144
C2	C1	H4	111.144	C2	C1	H5	111.144
H3	C1	H4	107.748	H3	C1	H5	107.748
H4	C1	H5	107.748	H6	C2	H7	107.748
H6	C2	H8	107.748	H7	C2	H8	107.748

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD(T)=FULL/6-31+G**

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: CCSD(T)=FULL/6-31+G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)