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	hartrees
Energy at 0K	-79.631338
Energy at 298.15K	-79.637283
HF Energy	-79.241705
Nuclear repulsion energy	42.343361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3127	3127	0.00
2	A_1g	1469	1469	0.00
3	A_1g	1042	1042	0.00
4	A_1u	317	317	0.00
5	A_2u	3129	3129	39.30
6	A_2u	1447	1447	1.13
7	E_g	3198	3198	0.00
7	E_g	3198	3198	0.00
8	E_g	1556	1556	0.00
8	E_g	1556	1556	0.00
9	E_g	1255	1255	0.00
9	E_g	1255	1255	0.00
10	E_u	3219	3219	43.47
10	E_u	3219	3219	43.47
11	E_u	1558	1558	7.34
11	E_u	1558	1558	7.34
12	E_u	843	843	4.29
12	E_u	843	843	4.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.763
C2	0.000	0.000	-0.763
H3	0.000	1.015	1.157
H4	-0.879	-0.507	1.157
H5	0.879	-0.507	1.157
H6	0.000	-1.015	-1.157
H7	-0.879	0.507	-1.157
H8	0.879	0.507	-1.157

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5255	1.0885	1.0885	1.0885	2.1711	2.1711	2.1711
C2	1.5255		2.1711	2.1711	2.1711	1.0885	1.0885	1.0885
H3	1.0885	2.1711		1.7575	1.7575	3.0774	2.5262	2.5262
H4	1.0885	2.1711	1.7575		1.7575	2.5262	2.5262	3.0774
H5	1.0885	2.1711	1.7575	1.7575		2.5262	3.0774	2.5262
H6	2.1711	1.0885	3.0774	2.5262	2.5262		1.7575	1.7575
H7	2.1711	1.0885	2.5262	2.5262	3.0774	1.7575		1.7575
H8	2.1711	1.0885	2.5262	3.0774	2.5262	1.7575	1.7575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.219	C1	C2	H7	111.219
C1	C2	H8	111.219	C2	C1	H3	111.219
C2	C1	H4	111.219	C2	C1	H5	111.219
H3	C1	H4	107.668	H3	C1	H5	107.668
H4	C1	H5	107.668	H6	C2	H7	107.668
H6	C2	H8	107.668	H7	C2	H8	107.668

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP3=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₆ (Ethane)