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	hartrees
Energy at 0K	-79.625013
Energy at 298.15K	-79.630964
HF Energy	-79.258722
Nuclear repulsion energy	42.439091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3108	3108	0.00
2	A_1g	1476	1476	0.00
3	A_1g	1040	1040	0.00
4	A_1u	319	319	0.00
5	A_2u	3105	3105	52.40
6	A_2u	1453	1453	1.00
7	E_g	3165	3165	0.00
7	E_g	3165	3165	0.00
8	E_g	1553	1553	0.00
8	E_g	1553	1553	0.00
9	E_g	1261	1261	0.00
9	E_g	1261	1261	0.00
10	E_u	3189	3189	61.01
10	E_u	3189	3189	61.01
11	E_u	1554	1554	8.37
11	E_u	1554	1554	8.37
12	E_u	846	846	2.77
12	E_u	846	846	2.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.761
C2	0.000	0.000	-0.761
H3	0.000	1.012	1.154
H4	-0.877	-0.506	1.154
H5	0.877	-0.506	1.154
H6	0.000	-1.012	-1.154
H7	-0.877	0.506	-1.154
H8	0.877	0.506	-1.154

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5227	1.0858	1.0858	1.0858	2.1662	2.1662	2.1662
C2	1.5227		2.1662	2.1662	2.1662	1.0858	1.0858	1.0858
H3	1.0858	2.1662		1.7535	1.7535	3.0699	2.5198	2.5198
H4	1.0858	2.1662	1.7535		1.7535	2.5198	2.5198	3.0698
H5	1.0858	2.1662	1.7535	1.7535		2.5198	3.0698	2.5198
H6	2.1662	1.0858	3.0699	2.5198	2.5198		1.7535	1.7535
H7	2.1662	1.0858	2.5198	2.5198	3.0698	1.7535		1.7535
H8	2.1662	1.0858	2.5198	3.0698	2.5198	1.7535	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.186	C1	C2	H7	111.186
C1	C2	H8	111.186	C2	C1	H3	111.186
C2	C1	H4	111.186	C2	C1	H5	111.186
H3	C1	H4	107.703	H3	C1	H5	107.703
H4	C1	H5	107.703	H6	C2	H7	107.703
H6	C2	H8	107.703	H7	C2	H8	107.703

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CISD/6-311+G(3df,2pd)

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: CISD/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₂H₆ (Ethane)