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	hartrees
Energy at 0K	-14.756546
Energy at 298.15K	-14.762436
HF Energy	-14.464237
Nuclear repulsion energy	26.141051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3036	3036
2	A_1g	1448	1448
3	A_1g	1020	1020
4	A_1u	310	310
5	A_2u	3031	3031
6	A_2u	1409	1409
7	E_g	3095	3095
7	E_g	3095	3095
8	E_g	1503	1503
8	E_g	1502	1502
9	E_g	1222	1222
9	E_g	1222	1222
10	E_u	3117	3117
10	E_u	3117	3117
11	E_u	1504	1504
11	E_u	1504	1504
12	E_u	817	817
12	E_u	817	817

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.777
C2	0.000	0.000	-0.777
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		1.5547	1.1106	1.1106	1.1106	2.2105	2.2105	2.2105
C2	1.5547		2.2105	2.2105	2.2105	1.1106	1.1106	1.1106
H3	1.1106	2.2105		1.7962	1.7962	3.1341	2.5683	2.5683
H4	1.1106	2.2105	1.7962		1.7962	2.5683	2.5683	3.1341
H5	1.1106	2.2105	1.7962	1.7962		2.5683	3.1341	2.5683
H6	2.2105	1.1106	3.1341	2.5683	2.5683		1.7962	1.7962
H7	2.2105	1.1106	2.5683	2.5683	3.1341	1.7962		1.7962
H8	2.2105	1.1106	2.5683	3.1341	2.5683	1.7962	1.7962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.973	C1	C2	H7	110.973
C1	C2	H8	110.973	C2	C1	H3	110.973
C2	C1	H4	110.973	C2	C1	H5	110.973
H3	C1	H4	107.929	H3	C1	H5	107.929
H4	C1	H5	107.929	H6	C2	H7	107.929
H6	C2	H8	107.929	H7	C2	H8	107.929

All results from a given calculation for C₂H₆ (Ethane)

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

States and conformations

All results from a given calculation for C₂H₆ (Ethane)