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	hartrees
Energy at 0K	-79.776180
Energy at 298.15K	-79.782097
HF Energy	-79.260250
Nuclear repulsion energy	42.294705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3046	2943
2	A_1g	1429	1381
3	A_1g	1016	982
4	A_1u	308	297
5	A_2u	3044	2942
6	A_2u	1409	1362
7	E_g	3105	3000
7	E_g	3104	3000
8	E_g	1513	1462
8	E_g	1513	1462
9	E_g	1227	1185
9	E_g	1226	1185
10	E_u	3127	3022
10	E_u	3127	3022
11	E_u	1515	1464
11	E_u	1514	1463
12	E_u	823	795
12	E_u	823	795

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.763
C2	0.000	0.000	-0.763
H3	0.000	1.017	1.158
H4	-0.880	-0.508	1.158
H5	0.880	-0.508	1.158
H6	0.000	-1.017	-1.158
H7	-0.880	0.508	-1.158
H8	0.880	0.508	-1.158

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5263	1.0904	1.0904	1.0904	2.1732	2.1732	2.1732
C2	1.5263		2.1732	2.1732	2.1732	1.0904	1.0904	1.0904
H3	1.0904	2.1732		1.7607	1.7607	3.0813	2.5287	2.5287
H4	1.0904	2.1732	1.7607		1.7607	2.5287	2.5287	3.0813
H5	1.0904	2.1732	1.7607	1.7607		2.5287	3.0813	2.5287
H6	2.1732	1.0904	3.0813	2.5287	2.5287		1.7607	1.7607
H7	2.1732	1.0904	2.5287	2.5287	3.0813	1.7607		1.7607
H8	2.1732	1.0904	2.5287	3.0813	2.5287	1.7607	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.214	C1	C2	H7	111.214
C1	C2	H8	111.214	C2	C1	H3	111.214
C2	C1	H4	111.214	C2	C1	H5	111.214
H3	C1	H4	107.674	H3	C1	H5	107.674
H4	C1	H5	107.674	H6	C2	H7	107.674
H6	C2	H8	107.674	H7	C2	H8	107.674

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD(T)=FULL/cc-pCVTZ

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/cc-pCVTZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)