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	hartrees
Energy at 0K	-79.556674
Energy at 298.15K	-79.562618
HF Energy	-79.237032
Nuclear repulsion energy	42.039196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3100	3100	0.00
2	A_1g	1453	1453	0.00
3	A_1g	1039	1039	0.00
4	A_1u	322	322	0.00
5	A_2u	3093	3093	59.03
6	A_2u	1420	1420	0.28
7	E_g	3158	3158	0.00
7	E_g	3158	3158	0.00
8	E_g	1521	1521	0.00
8	E_g	1521	1521	0.00
9	E_g	1242	1242	0.00
9	E_g	1242	1242	0.00
10	E_u	3180	3180	71.20
10	E_u	3180	3180	71.20
11	E_u	1523	1523	6.92
11	E_u	1523	1523	6.92
12	E_u	832	832	2.16
12	E_u	832	832	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.766
C2	0.000	0.000	-0.766
H3	0.000	1.025	1.163
H4	-0.888	-0.512	1.163
H5	0.888	-0.512	1.163
H6	0.000	-1.025	-1.163
H7	-0.888	0.512	-1.163
H8	0.888	0.512	-1.163

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5326	1.0988	1.0988	1.0988	2.1843	2.1843	2.1843
C2	1.5326		2.1843	2.1843	2.1843	1.0988	1.0988	1.0988
H3	1.0988	2.1843		1.7750	1.7750	3.0997	2.5412	2.5412
H4	1.0988	2.1843	1.7750		1.7750	2.5412	2.5412	3.0997
H5	1.0988	2.1843	1.7750	1.7750		2.5412	3.0997	2.5412
H6	2.1843	1.0988	3.0997	2.5412	2.5412		1.7750	1.7750
H7	2.1843	1.0988	2.5412	2.5412	3.0997	1.7750		1.7750
H8	2.1843	1.0988	2.5412	3.0997	2.5412	1.7750	1.7750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.146	C1	C2	H7	111.146
C1	C2	H8	111.146	C2	C1	H3	111.146
C2	C1	H4	111.146	C2	C1	H5	111.146
H3	C1	H4	107.746	H3	C1	H5	107.746
H4	C1	H5	107.746	H6	C2	H7	107.746
H6	C2	H8	107.746	H7	C2	H8	107.746

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CISD/aug-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: CISD/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)