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	hartrees
Energy at 0K	-79.589671
Energy at 298.15K	-79.595584
HF Energy	-79.236910
Nuclear repulsion energy	41.877662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3037	3037	0.00
2	A_1g	1422	1422	0.00
3	A_1g	1021	1021	0.00
4	A_1u	313	313	0.00
5	A_2u	3033	3033	59.45
6	A_2u	1392	1392	0.18
7	E_g	3097	3097	0.00
7	E_g	3097	3097	0.00
8	E_g	1494	1494	0.00
8	E_g	1494	1494	0.00
9	E_g	1217	1217	0.00
9	E_g	1217	1217	0.00
10	E_u	3119	3119	71.26
10	E_u	3119	3119	71.26
11	E_u	1496	1496	6.35
11	E_u	1496	1496	6.35
12	E_u	816	816	2.04
12	E_u	816	816	2.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.769
C2	0.000	0.000	-0.769
H3	0.000	1.029	1.167
H4	-0.891	-0.515	1.167
H5	0.891	-0.515	1.167
H6	0.000	-1.029	-1.167
H7	-0.891	0.515	-1.167
H8	0.891	0.515	-1.167

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5378	1.1034	1.1034	1.1034	2.1925	2.1925	2.1925
C2	1.5378		2.1925	2.1925	2.1925	1.1034	1.1034	1.1034
H3	1.1034	2.1925		1.7824	1.7824	3.1121	2.5511	2.5511
H4	1.1034	2.1925	1.7824		1.7824	2.5511	2.5511	3.1121
H5	1.1034	2.1925	1.7824	1.7824		2.5511	3.1121	2.5511
H6	2.1925	1.1034	3.1121	2.5511	2.5511		1.7824	1.7824
H7	2.1925	1.1034	2.5511	2.5511	3.1121	1.7824		1.7824
H8	2.1925	1.1034	2.5511	3.1121	2.5511	1.7824	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.160	C1	C2	H7	111.160
C1	C2	H8	111.160	C2	C1	H3	111.160
C2	C1	H4	111.160	C2	C1	H5	111.160
H3	C1	H4	107.731	H3	C1	H5	107.731
H4	C1	H5	107.731	H6	C2	H7	107.731
H6	C2	H8	107.731	H7	C2	H8	107.731

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD/daug-cc-pVDZ

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: QCISD/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)