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	hartrees
Energy at 0K	-79.615922
Energy at 298.15K	-79.621857
HF Energy	-79.251176
Nuclear repulsion energy	42.047240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3039	3039
2	A_1g	1444	1444
3	A_1g	1017	1017
4	A_1u	326	326
5	A_2u	3036	3036
6	A_2u	1415	1415
7	E_g	3098	3098
7	E_g	3098	3098
8	E_g	1511	1511
8	E_g	1511	1511
9	E_g	1235	1235
9	E_g	1235	1235
10	E_u	3121	3121
10	E_u	3121	3121
11	E_u	1516	1516
11	E_u	1515	1515
12	E_u	826	826
12	E_u	826	826

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.768
C2	0.000	0.000	-0.768
H3	0.000	1.024	1.162
H4	-0.887	-0.512	1.162
H5	0.887	-0.512	1.162
H6	0.000	-1.024	-1.162
H7	-0.887	0.512	-1.162
H8	0.887	0.512	-1.162

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5350	1.0973	1.0973	1.0973	2.1845	2.1845	2.1845
C2	1.5350		2.1845	2.1845	2.1845	1.0973	1.0973	1.0973
H3	1.0973	2.1845		1.7734	1.7734	3.0978	2.5399	2.5399
H4	1.0973	2.1845	1.7734		1.7734	2.5399	2.5399	3.0978
H5	1.0973	2.1845	1.7734	1.7734		2.5399	3.0978	2.5399
H6	2.1845	1.0973	3.0978	2.5399	2.5399		1.7734	1.7734
H7	2.1845	1.0973	2.5399	2.5399	3.0978	1.7734		1.7734
H8	2.1845	1.0973	2.5399	3.0978	2.5399	1.7734	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.082	C1	C2	H7	111.082
C1	C2	H8	111.082	C2	C1	H3	111.082
C2	C1	H4	111.082	C2	C1	H5	111.082
H3	C1	H4	107.813	H3	C1	H5	107.813
H4	C1	H5	107.813	H6	C2	H7	107.813
H6	C2	H8	107.813	H7	C2	H8	107.813

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: QCISD(T)/6-311G**

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(T)/6-311G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)