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	hartrees
Energy at 0K	-14.646931
Energy at 298.15K	-14.652849
HF Energy	-14.437733
Nuclear repulsion energy	26.152711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2954	2954	0.00
2	A_1g	1457	1457	0.00
3	A_1g	995	995	0.00
4	A_1u	312	312	0.00
5	A_2u	2944	2944	78.53
6	A_2u	1445	1445	2.63
7	E_g	3025	3025	0.00
7	E_g	3025	3025	0.00
8	E_g	1504	1504	0.00
8	E_g	1504	1504	0.00
9	E_g	1240	1240	0.00
9	E_g	1240	1240	0.00
10	E_u	3051	3051	109.22
10	E_u	3051	3051	109.23
11	E_u	1519	1519	10.17
11	E_u	1519	1519	10.17
12	E_u	817	817	2.98
12	E_u	817	817	2.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.782
C2	0.000	0.000	-0.782
H3	0.000	1.032	1.178
H4	-0.894	-0.516	1.178
H5	0.894	-0.516	1.178
H6	0.000	-1.032	-1.178
H7	-0.894	0.516	-1.178
H8	0.894	0.516	-1.178

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5645	1.1053	1.1053	1.1053	2.2151	2.2151	2.2151
C2	1.5645		2.2151	2.2151	2.2151	1.1053	1.1053	1.1053
H3	1.1053	2.2151		1.7879	1.7879	3.1319	2.5715	2.5715
H4	1.1053	2.2151	1.7879		1.7879	2.5715	2.5715	3.1319
H5	1.1053	2.2151	1.7879	1.7879		2.5715	3.1319	2.5715
H6	2.2151	1.1053	3.1319	2.5715	2.5715		1.7879	1.7879
H7	2.2151	1.1053	2.5715	2.5715	3.1319	1.7879		1.7879
H8	2.2151	1.1053	2.5715	3.1319	2.5715	1.7879	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.957	C1	C2	H7	110.957
C1	C2	H8	110.957	C2	C1	H3	110.957
C2	C1	H4	110.957	C2	C1	H5	110.957
H3	C1	H4	107.945	H3	C1	H5	107.945
H4	C1	H5	107.945	H6	C2	H7	107.945
H6	C2	H8	107.945	H7	C2	H8	107.945

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP3/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)