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	hartrees
Energy at 0K	-79.663867
Energy at 298.15K	-79.669795
HF Energy	-79.260365
Nuclear repulsion energy	42.303895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3075	3075	0.00
2	A_1g	1445	1445	0.00
3	A_1g	1024	1024	0.00
4	A_1u	310	310	0.00
5	A_2u	3075	3075	50.39
6	A_2u	1428	1428	0.90
7	E_g	3136	3136	0.00
7	E_g	3136	3136	0.00
8	E_g	1530	1530	0.00
8	E_g	1530	1530	0.00
9	E_g	1239	1239	0.00
9	E_g	1239	1239	0.00
10	E_u	3158	3158	54.83
10	E_u	3158	3158	54.84
11	E_u	1531	1531	8.28
11	E_u	1531	1531	8.28
12	E_u	832	832	2.86
12	E_u	832	832	2.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.764
C2	0.000	0.000	-0.764
H3	0.000	1.016	1.157
H4	-0.880	-0.508	1.157
H5	0.880	-0.508	1.157
H6	0.000	-1.016	-1.157
H7	-0.880	0.508	-1.157
H8	0.880	0.508	-1.157

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5274	1.0894	1.0894	1.0894	2.1729	2.1729	2.1729
C2	1.5274		2.1729	2.1729	2.1729	1.0894	1.0894	1.0894
H3	1.0894	2.1729		1.7595	1.7595	3.0795	2.5274	2.5274
H4	1.0894	2.1729	1.7595		1.7595	2.5274	2.5274	3.0795
H5	1.0894	2.1729	1.7595	1.7595		2.5274	3.0795	2.5274
H6	2.1729	1.0894	3.0795	2.5274	2.5274		1.7595	1.7595
H7	2.1729	1.0894	2.5274	2.5274	3.0795	1.7595		1.7595
H8	2.1729	1.0894	2.5274	3.0795	2.5274	1.7595	1.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.173	C1	C2	H7	111.173
C1	C2	H8	111.173	C2	C1	H3	111.173
C2	C1	H4	111.173	C2	C1	H5	111.173
H3	C1	H4	107.718	H3	C1	H5	107.718
H4	C1	H5	107.718	H6	C2	H7	107.718
H6	C2	H8	107.718	H7	C2	H8	107.718

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP3/aug-cc-pVTZ

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: MP3/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆ (Ethane)