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	hartrees
Energy at 0K	-14.639753
Energy at 298.15K	-14.645682
HF Energy	-14.438125
Nuclear repulsion energy	26.210514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2983	2756	0.00
2	A_1g	1471	1359	0.00
3	A_1g	1006	930	0.00
4	A_1u	309	286	0.00
5	A_2u	2967	2741	78.69
6	A_2u	1459	1348	2.89
7	E_g	3048	2817	0.00
7	E_g	3048	2817	0.00
8	E_g	1522	1406	0.00
8	E_g	1522	1406	0.00
9	E_g	1252	1157	0.00
9	E_g	1252	1157	0.00
10	E_u	3074	2840	109.53
10	E_u	3074	2840	109.53
11	E_u	1534	1417	10.31
11	E_u	1534	1417	10.31
12	E_u	828	765	3.08
12	E_u	828	765	3.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
C2	0.000	0.000	-0.780
H3	0.000	1.030	1.176
H4	-0.892	-0.515	1.176
H5	0.892	-0.515	1.176
H6	0.000	-1.030	-1.176
H7	-0.892	0.515	-1.176
H8	0.892	0.515	-1.176

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5605	1.1030	1.1030	1.1030	2.2104	2.2104	2.2104
C2	1.5605		2.2104	2.2104	2.2104	1.1030	1.1030	1.1030
H3	1.1030	2.2104		1.7835	1.7835	3.1257	2.5669	2.5669
H4	1.1030	2.2104	1.7835		1.7835	2.5669	2.5669	3.1257
H5	1.1030	2.2104	1.7835	1.7835		2.5669	3.1257	2.5669
H6	2.2104	1.1030	3.1257	2.5669	2.5669		1.7835	1.7835
H7	2.2104	1.1030	2.5669	2.5669	3.1257	1.7835		1.7835
H8	2.2104	1.1030	2.5669	3.1257	2.5669	1.7835	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.008	C1	C2	H7	111.008
C1	C2	H8	111.008	C2	C1	H3	111.008
C2	C1	H4	111.008	C2	C1	H5	111.008
H3	C1	H4	107.892	H3	C1	H5	107.892
H4	C1	H5	107.892	H6	C2	H7	107.892
H6	C2	H8	107.892	H7	C2	H8	107.892

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CID/CEP-121G

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: CID/CEP-121G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)