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	hartrees
Energy at 0K	-79.555595
Energy at 298.15K	-79.561540
HF Energy	-79.237050
Nuclear repulsion energy	42.047717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3105	3105	0.00
2	A_1g	1454	1454	0.00
3	A_1g	1041	1041	0.00
4	A_1u	322	322	0.00
5	A_2u	3098	3098	57.77
6	A_2u	1421	1421	0.34
7	E_g	3165	3165	0.00
7	E_g	3165	3165	0.00
8	E_g	1522	1522	0.00
8	E_g	1522	1522	0.00
9	E_g	1243	1243	0.00
9	E_g	1243	1243	0.00
10	E_u	3186	3186	69.11
10	E_u	3186	3186	69.11
11	E_u	1524	1524	7.11
11	E_u	1524	1524	7.11
12	E_u	833	833	2.22
12	E_u	833	833	2.22

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	-0.887	-0.512	1.163
H5	0.887	-0.512	1.163
H6	0.000	-1.025	-1.163
H7	-0.887	0.512	-1.163
H8	0.887	0.512	-1.163

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5324	1.0985	1.0985	1.0985	2.1840	2.1840	2.1840
C2	1.5324		2.1840	2.1840	2.1840	1.0985	1.0985	1.0985
H3	1.0985	2.1840		1.7745	1.7745	3.0991	2.5408	2.5408
H4	1.0985	2.1840	1.7745		1.7745	2.5408	2.5408	3.0991
H5	1.0985	2.1840	1.7745	1.7745		2.5408	3.0991	2.5408
H6	2.1840	1.0985	3.0991	2.5408	2.5408		1.7745	1.7745
H7	2.1840	1.0985	2.5408	2.5408	3.0991	1.7745		1.7745
H8	2.1840	1.0985	2.5408	3.0991	2.5408	1.7745	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.150	C1	C2	H7	111.150
C1	C2	H8	111.150	C2	C1	H3	111.150
C2	C1	H4	111.150	C2	C1	H5	111.150
H3	C1	H4	107.741	H3	C1	H5	107.741
H4	C1	H5	107.741	H6	C2	H7	107.741
H6	C2	H8	107.741	H7	C2	H8	107.741

All results from a given calculation for C₂H₆ (Ethane)

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

States and conformations

All results from a given calculation for C₂H₆ (Ethane)