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	hartrees
Energy at 0K	-79.733638
Energy at 298.15K	-79.739568
HF Energy	-79.630657
Nuclear repulsion energy	42.230110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_1g	3077	2926	0.00	254.78	0.01	0.02
2	A_1g	1456	1384	0.00	1.88	0.40	0.58
3	A_1g	1018	969	0.00	14.23	0.28	0.44
4	A_1u	319	303	0.00	0.00	0.41	0.58
5	A_2u	3076	2925	65.16	0.00	0.01	0.00
6	A_2u	1432	1361	1.19	0.00	0.00	0.00
7	E_g	3138	2985	0.00	138.34	0.75	0.86
7	E_g	3138	2985	0.00	138.34	0.75	0.86
8	E_g	1530	1455	0.00	20.40	0.75	0.86
8	E_g	1530	1455	0.00	20.40	0.75	0.86
9	E_g	1241	1180	0.00	0.98	0.75	0.86
9	E_g	1241	1180	0.00	0.98	0.75	0.86
10	E_u	3161	3006	69.52	0.00	0.00	0.00
10	E_u	3161	3006	69.52	0.00	0.00	0.00
11	E_u	1532	1457	10.87	0.00	0.75	0.86
11	E_u	1532	1457	10.87	0.00	0.75	0.86
12	E_u	835	794	3.36	0.00	0.00	0.00
12	E_u	835	794	3.36	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.764
C2	0.000	0.000	-0.764
H3	0.000	1.018	1.160
H4	-0.881	-0.509	1.160
H5	0.881	-0.509	1.160
H6	0.000	-1.018	-1.160
H7	-0.881	0.509	-1.160
H8	0.881	0.509	-1.160

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5282	1.0921	1.0921	1.0921	2.1769	2.1769	2.1769
C2	1.5282		2.1769	2.1769	2.1769	1.0921	1.0921	1.0921
H3	1.0921	2.1769		1.7627	1.7627	3.0866	2.5338	2.5338
H4	1.0921	2.1769	1.7627		1.7627	2.5338	2.5338	3.0866
H5	1.0921	2.1769	1.7627	1.7627		2.5338	3.0866	2.5338
H6	2.1769	1.0921	3.0866	2.5338	2.5338		1.7627	1.7627
H7	2.1769	1.0921	2.5338	2.5338	3.0866	1.7627		1.7627
H8	2.1769	1.0921	2.5338	3.0866	2.5338	1.7627	1.7627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.265	C1	C2	H7	111.265
C1	C2	H8	111.265	C2	C1	H3	111.265
C2	C1	H4	111.265	C2	C1	H5	111.265
H3	C1	H4	107.619	H3	C1	H5	107.619
H4	C1	H5	107.619	H6	C2	H7	107.619
H6	C2	H8	107.619	H7	C2	H8	107.619

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)