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	hartrees
Energy at 0K	-79.586808
Energy at 298.15K	-79.592752
HF Energy	-79.238603
Nuclear repulsion energy	42.215670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3093	2919
2	A_1g	1472	1389
3	A_1g	1028	970
4	A_1u	326	308
5	A_2u	3090	2916
6	A_2u	1445	1363
7	E_g	3163	2985
7	E_g	3163	2985
8	E_g	1539	1452
8	E_g	1538	1451
9	E_g	1253	1183
9	E_g	1253	1183
10	E_u	3184	3005
10	E_u	3184	3005
11	E_u	1543	1456
11	E_u	1542	1455
12	E_u	834	787
12	E_u	834	787

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.765
C2	0.000	0.000	-0.765
H3	0.000	1.019	1.159
H4	-0.882	-0.509	1.159
H5	0.882	-0.509	1.159
H6	0.000	-1.019	-1.159
H7	-0.882	0.509	-1.159
H8	0.882	0.509	-1.159

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5302	1.0920	1.0920	1.0920	2.1769	2.1769	2.1769
C2	1.5302		2.1769	2.1769	2.1769	1.0920	1.0920	1.0920
H3	1.0920	2.1769		1.7644	1.7644	3.0856	2.5314	2.5314
H4	1.0920	2.1769	1.7644		1.7644	2.5314	2.5314	3.0856
H5	1.0920	2.1769	1.7644	1.7644		2.5314	3.0856	2.5314
H6	2.1769	1.0920	3.0856	2.5314	2.5314		1.7644	1.7644
H7	2.1769	1.0920	2.5314	2.5314	3.0856	1.7644		1.7644
H8	2.1769	1.0920	2.5314	3.0856	2.5314	1.7644	1.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.127	C1	C2	H7	111.127
C1	C2	H8	111.127	C2	C1	H3	111.127
C2	C1	H4	111.127	C2	C1	H5	111.127
H3	C1	H4	107.766	H3	C1	H5	107.766
H4	C1	H5	107.766	H6	C2	H7	107.766
H6	C2	H8	107.766	H7	C2	H8	107.766

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP4/6-31+G**

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: MP4/6-31+G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)