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	hartrees
Energy at 0K	-79.587836
Energy at 298.15K	-79.593752
HF Energy	-79.236966
Nuclear repulsion energy	41.893489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3045	3045	0.00
2	A_1g	1424	1424	0.00
3	A_1g	1023	1023	0.00
4	A_1u	313	313	0.00
5	A_2u	3042	3042	57.26
6	A_2u	1395	1395	0.28
7	E_g	3109	3109	0.00
7	E_g	3109	3109	0.00
8	E_g	1496	1496	0.00
8	E_g	1496	1496	0.00
9	E_g	1219	1219	0.00
9	E_g	1219	1219	0.00
10	E_u	3130	3130	67.56
10	E_u	3130	3130	67.56
11	E_u	1498	1498	6.72
11	E_u	1498	1498	6.72
12	E_u	818	818	2.15
12	E_u	818	818	2.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.769
C2	0.000	0.000	-0.769
H3	0.000	1.029	1.167
H4	-0.891	-0.514	1.167
H5	0.891	-0.514	1.167
H6	0.000	-1.029	-1.167
H7	-0.891	0.514	-1.167
H8	0.891	0.514	-1.167

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5374	1.1029	1.1029	1.1029	2.1918	2.1918	2.1918
C2	1.5374		2.1918	2.1918	2.1918	1.1029	1.1029	1.1029
H3	1.1029	2.1918		1.7815	1.7815	3.1109	2.5503	2.5503
H4	1.1029	2.1918	1.7815		1.7815	2.5503	2.5503	3.1109
H5	1.1029	2.1918	1.7815	1.7815		2.5503	3.1109	2.5503
H6	2.1918	1.1029	3.1109	2.5503	2.5503		1.7815	1.7815
H7	2.1918	1.1029	2.5503	2.5503	3.1109	1.7815		1.7815
H8	2.1918	1.1029	2.5503	3.1109	2.5503	1.7815	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.164	C1	C2	H7	111.164
C1	C2	H8	111.164	C2	C1	H3	111.164
C2	C1	H4	111.164	C2	C1	H5	111.164
H3	C1	H4	107.727	H3	C1	H5	107.727
H4	C1	H5	107.727	H6	C2	H7	107.727
H6	C2	H8	107.727	H7	C2	H8	107.727

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCD/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)