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	hartrees
Energy at 0K	-79.548625
Energy at 298.15K	-79.554602
HF Energy	-79.238225
Nuclear repulsion energy	42.406484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3162	2921	0.00
2	A_1g	1515	1399	0.00
3	A_1g	1055	975	0.00
4	A_1u	331	306	0.00
5	A_2u	3159	2919	53.44
6	A_2u	1483	1371	0.22
7	E_g	3230	2984	0.00
7	E_g	3230	2984	0.00
8	E_g	1583	1462	0.00
8	E_g	1583	1462	0.00
9	E_g	1287	1190	0.00
9	E_g	1287	1190	0.00
10	E_u	3251	3004	70.22
10	E_u	3251	3004	70.22
11	E_u	1588	1468	5.87
11	E_u	1588	1468	5.87
12	E_u	856	791	2.71
12	E_u	856	791	2.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.762
C2	0.000	0.000	-0.762
H3	0.000	1.013	1.154
H4	-0.878	-0.507	1.154
H5	0.878	-0.507	1.154
H6	0.000	-1.013	-1.154
H7	-0.878	0.507	-1.154
H8	0.878	0.507	-1.154

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5237	1.0867	1.0867	1.0867	2.1676	2.1676	2.1676
C2	1.5237		2.1676	2.1676	2.1676	1.0867	1.0867	1.0867
H3	1.0867	2.1676		1.7552	1.7552	3.0721	2.5213	2.5213
H4	1.0867	2.1676	1.7552		1.7552	2.5213	2.5213	3.0721
H5	1.0867	2.1676	1.7552	1.7552		2.5213	3.0721	2.5213
H6	2.1676	1.0867	3.0721	2.5213	2.5213		1.7552	1.7552
H7	2.1676	1.0867	2.5213	2.5213	3.0721	1.7552		1.7552
H8	2.1676	1.0867	2.5213	3.0721	2.5213	1.7552	1.7552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.172	C1	C2	H7	111.172
C1	C2	H8	111.172	C2	C1	H3	111.172
C2	C1	H4	111.172	C2	C1	H5	111.172
H3	C1	H4	107.718	H3	C1	H5	107.718
H4	C1	H5	107.718	H6	C2	H7	107.718
H6	C2	H8	107.718	H7	C2	H8	107.718

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CID/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)