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	hartrees
Energy at 0K	-79.014315
Energy at 298.15K	-79.020252
HF Energy	-78.792901
Nuclear repulsion energy	41.753459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3032	2862
2	A_1g	1477	1394
3	A_1g	953	900
4	A_1u	314	296
5	A_2u	3032	2862
6	A_2u	1482	1398
7	E_g	3085	2912
7	E_g	3085	2912
8	E_g	1584	1495
8	E_g	1583	1494
9	E_g	1275	1204
9	E_g	1275	1204
10	E_u	3109	2934
10	E_u	3109	2934
11	E_u	1586	1497
11	E_u	1586	1497
12	E_u	860	812
12	E_u	860	812

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.779
C2	0.000	0.000	-0.779
H3	0.000	1.028	1.167
H4	-0.891	-0.514	1.167
H5	0.891	-0.514	1.167
H6	0.000	-1.028	-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		1.5580	1.0992	1.0992	1.0992	2.2011	2.2011	2.2011
C2	1.5580		2.2011	2.2011	2.2011	1.0992	1.0992	1.0992
H3	1.0992	2.2011		1.7812	1.7812	3.1111	2.5507	2.5507
H4	1.0992	2.2011	1.7812		1.7812	2.5507	2.5507	3.1111
H5	1.0992	2.2011	1.7812	1.7812		2.5507	3.1111	2.5507
H6	2.2011	1.0992	3.1111	2.5507	2.5507		1.7812	1.7812
H7	2.2011	1.0992	2.5507	2.5507	3.1111	1.7812		1.7812
H8	2.2011	1.0992	2.5507	3.1111	2.5507	1.7812	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.675	C1	C2	H7	110.675
C1	C2	H8	110.675	C2	C1	H3	110.675
C2	C1	H4	110.675	C2	C1	H5	110.675
H3	C1	H4	108.241	H3	C1	H5	108.241
H4	C1	H5	108.241	H6	C2	H7	108.241
H6	C2	H8	108.241	H7	C2	H8	108.241

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP4/3-21G*

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: MP4/3-21G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)