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	hartrees
Energy at 0K	-79.618369
Energy at 298.15K	-79.624296
HF Energy	-79.241559
Nuclear repulsion energy	42.201157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3091	2922	0.00
2	A_1g	1458	1379	0.00
3	A_1g	1027	971	0.00
4	A_1u	314	297	0.00
5	A_2u	3090	2922	43.00
6	A_2u	1436	1358	0.60
7	E_g	3154	2982	0.00
7	E_g	3154	2982	0.00
8	E_g	1537	1453	0.00
8	E_g	1537	1453	0.00
9	E_g	1244	1176	0.00
9	E_g	1244	1176	0.00
10	E_u	3176	3003	50.29
10	E_u	3176	3003	50.29
11	E_u	1540	1456	6.37
11	E_u	1540	1456	6.37
12	E_u	832	787	3.65
12	E_u	832	787	3.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.765
C2	0.000	0.000	-0.765
H3	0.000	1.018	1.160
H4	-0.882	-0.509	1.160
H5	0.882	-0.509	1.160
H6	0.000	-1.018	-1.160
H7	-0.882	0.509	-1.160
H8	0.882	0.509	-1.160

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5302	1.0925	1.0925	1.0925	2.1781	2.1781	2.1781
C2	1.5302		2.1781	2.1781	2.1781	1.0925	1.0925	1.0925
H3	1.0925	2.1781		1.7641	1.7641	3.0877	2.5341	2.5341
H4	1.0925	2.1781	1.7641		1.7641	2.5341	2.5341	3.0877
H5	1.0925	2.1781	1.7641	1.7641		2.5341	3.0877	2.5341
H6	2.1781	1.0925	3.0877	2.5341	2.5341		1.7641	1.7641
H7	2.1781	1.0925	2.5341	2.5341	3.0877	1.7641		1.7641
H8	2.1781	1.0925	2.5341	3.0877	2.5341	1.7641	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.205	C1	C2	H7	111.205
C1	C2	H8	111.205	C2	C1	H3	111.205
C2	C1	H4	111.205	C2	C1	H5	111.205
H3	C1	H4	107.683	H3	C1	H5	107.683
H4	C1	H5	107.683	H6	C2	H7	107.683
H6	C2	H8	107.683	H7	C2	H8	107.683

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD/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: CCSD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₆ (Ethane)