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	hartrees
Energy at 0K	-79.661181
Energy at 298.15K	-79.667112
HF Energy	-79.260289
Nuclear repulsion energy	42.314628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3065	3065	0.00
2	A_1g	1446	1446	0.00
3	A_1g	1025	1025	0.00
4	A_1u	310	310	0.00
5	A_2u	3064	3064	50.64
6	A_2u	1424	1424	1.02
7	E_g	3126	3126	0.00
7	E_g	3126	3126	0.00
8	E_g	1526	1526	0.00
8	E_g	1526	1526	0.00
9	E_g	1238	1238	0.00
9	E_g	1238	1238	0.00
10	E_u	3149	3149	58.33
10	E_u	3149	3149	58.33
11	E_u	1527	1527	7.83
11	E_u	1527	1527	7.83
12	E_u	830	830	2.81
12	E_u	830	830	2.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.763
C2	0.000	0.000	-0.763
H3	0.000	1.016	1.157
H4	-0.880	-0.508	1.157
H5	0.880	-0.508	1.157
H6	0.000	-1.016	-1.157
H7	-0.880	0.508	-1.157
H8	0.880	0.508	-1.157

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5259	1.0896	1.0896	1.0896	2.1723	2.1723	2.1723
C2	1.5259		2.1723	2.1723	2.1723	1.0896	1.0896	1.0896
H3	1.0896	2.1723		1.7594	1.7594	3.0796	2.5275	2.5275
H4	1.0896	2.1723	1.7594		1.7594	2.5275	2.5275	3.0796
H5	1.0896	2.1723	1.7594	1.7594		2.5275	3.0796	2.5275
H6	2.1723	1.0896	3.0796	2.5275	2.5275		1.7594	1.7594
H7	2.1723	1.0896	2.5275	2.5275	3.0796	1.7594		1.7594
H8	2.1723	1.0896	2.5275	3.0796	2.5275	1.7594	1.7594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.213	C1	C2	H7	111.213
C1	C2	H8	111.213	C2	C1	H3	111.213
C2	C1	H4	111.213	C2	C1	H5	111.213
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: CCD/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: CCD/cc-pCVTZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)