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	hartrees
Energy at 0K	-79.007075
Energy at 298.15K	-79.013036
HF Energy	-78.793315
Nuclear repulsion energy	41.877384

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	1495	1495	0.00
3	A_1g	972	972	0.00
4	A_1u	318	318	0.00
5	A_2u	3075	3075	39.88
6	A_2u	1498	1498	4.42
7	E_g	3125	3125	0.00
7	E_g	3125	3125	0.00
8	E_g	1598	1598	0.00
8	E_g	1598	1598	0.00
9	E_g	1289	1289	0.00
9	E_g	1289	1289	0.00
10	E_u	3148	3148	57.43
10	E_u	3148	3148	57.43
11	E_u	1601	1601	8.60
11	E_u	1601	1601	8.60
12	E_u	870	870	5.80
12	E_u	870	870	5.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.777
C2	0.000	0.000	-0.777
H3	0.000	1.025	1.164
H4	-0.888	-0.513	1.164
H5	0.888	-0.513	1.164
H6	0.000	-1.025	-1.164
H7	-0.888	0.513	-1.164
H8	0.888	0.513	-1.164

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5531	1.0960	1.0960	1.0960	2.1945	2.1945	2.1945
C2	1.5531		2.1945	2.1945	2.1945	1.0960	1.0960	1.0960
H3	1.0960	2.1945		1.7759	1.7759	3.1019	2.5432	2.5432
H4	1.0960	2.1945	1.7759		1.7759	2.5432	2.5432	3.1019
H5	1.0960	2.1945	1.7759	1.7759		2.5432	3.1019	2.5432
H6	2.1945	1.0960	3.1019	2.5432	2.5432		1.7759	1.7759
H7	2.1945	1.0960	2.5432	2.5432	3.1019	1.7759		1.7759
H8	2.1945	1.0960	2.5432	3.1019	2.5432	1.7759	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.685	C1	C2	H7	110.685
C1	C2	H8	110.685	C2	C1	H3	110.685
C2	C1	H4	110.685	C2	C1	H5	110.685
H3	C1	H4	108.231	H3	C1	H5	108.231
H4	C1	H5	108.231	H6	C2	H7	108.231
H6	C2	H8	108.231	H7	C2	H8	108.231

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP3=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)