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	hartrees
Energy at 0K	-79.682216
Energy at 298.15K	-79.688138
HF Energy	-79.265206
Nuclear repulsion energy	42.359377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3066	3066	0.00
2	A_1g	1447	1447	0.00
3	A_1g	1026	1026	0.00
4	A_1u	308	308	0.00
5	A_2u	3066	3066	49.85
6	A_2u	1426	1426	1.19
7	E_g	3128	3128	0.00
7	E_g	3128	3128	0.00
8	E_g	1526	1526	0.00
8	E_g	1526	1526	0.00
9	E_g	1240	1240	0.00
9	E_g	1240	1240	0.00
10	E_u	3151	3151	55.53
10	E_u	3151	3151	55.53
11	E_u	1527	1527	8.33
11	E_u	1527	1527	8.33
12	E_u	831	831	2.94
12	E_u	831	831	2.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.762
C2	0.000	0.000	-0.762
H3	0.000	1.015	1.156
H4	-0.879	-0.507	1.156
H5	0.879	-0.507	1.156
H6	0.000	-1.015	-1.156
H7	-0.879	0.507	-1.156
H8	0.879	0.507	-1.156

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5239	1.0887	1.0887	1.0887	2.1698	2.1698	2.1698
C2	1.5239		2.1698	2.1698	2.1698	1.0887	1.0887	1.0887
H3	1.0887	2.1698		1.7579	1.7579	3.0764	2.5247	2.5247
H4	1.0887	2.1698	1.7579		1.7579	2.5247	2.5247	3.0764
H5	1.0887	2.1698	1.7579	1.7579		2.5247	3.0764	2.5247
H6	2.1698	1.0887	3.0764	2.5247	2.5247		1.7579	1.7579
H7	2.1698	1.0887	2.5247	2.5247	3.0764	1.7579		1.7579
H8	2.1698	1.0887	2.5247	3.0764	2.5247	1.7579	1.7579

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	107.673	H3	C1	H5	107.673
H4	C1	H5	107.673	H6	C2	H7	107.673
H6	C2	H8	107.673	H7	C2	H8	107.673

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCD/cc-pVQZ

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-pVQZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)