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	hartrees
Energy at 0K	-79.251921
Energy at 298.15K	-79.257875
HF Energy	-79.188538
Nuclear repulsion energy	42.016605

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	3079	2931	0.00	177.05	0.02	0.03
2	A_1g	1482	1411	0.00	8.84	0.72	0.84
3	A_1g	978	931	0.00	8.79	0.29	0.44
4	A_1u	313	298	0.00	0.00	0.00	0.00
5	A_2u	3079	2932	43.46	0.00	0.02	0.03
6	A_2u	1491	1419	5.18	0.00	0.00	0.00
7	E_g	3129	2979	0.00	115.56	0.75	0.86
7	E_g	3129	2979	0.00	115.57	0.75	0.86
8	E_g	1594	1517	0.00	45.95	0.75	0.86
8	E_g	1594	1517	0.00	45.95	0.75	0.86
9	E_g	1278	1217	0.00	4.22	0.75	0.86
9	E_g	1278	1217	0.00	4.22	0.75	0.86
10	E_u	3155	3003	57.31	0.00	0.00	0.00
10	E_u	3155	3003	57.31	0.00	0.00	0.00
11	E_u	1595	1519	10.16	0.00	0.00	0.00
11	E_u	1595	1519	10.16	0.00	0.00	0.00
12	E_u	872	830	7.25	0.00	0.00	0.00
12	E_u	872	830	7.25	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.773
C2	0.000	0.000	-0.773
H3	0.000	1.022	1.161
H4	-0.885	-0.511	1.161
H5	0.885	-0.511	1.161
H6	0.000	-1.022	-1.161
H7	-0.885	0.511	-1.161
H8	0.885	0.511	-1.161

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5455	1.0934	1.0934	1.0934	2.1872	2.1872	2.1872
C2	1.5455		2.1872	2.1872	2.1872	1.0934	1.0934	1.0934
H3	1.0934	2.1872		1.7705	1.7705	3.0937	2.5369	2.5369
H4	1.0934	2.1872	1.7705		1.7705	2.5369	2.5369	3.0937
H5	1.0934	2.1872	1.7705	1.7705		2.5369	3.0937	2.5369
H6	2.1872	1.0934	3.0937	2.5369	2.5369		1.7705	1.7705
H7	2.1872	1.0934	2.5369	2.5369	3.0937	1.7705		1.7705
H8	2.1872	1.0934	2.5369	3.0937	2.5369	1.7705	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.794	C1	C2	H7	110.794
C1	C2	H8	110.794	C2	C1	H3	110.794
C2	C1	H4	110.794	C2	C1	H5	110.794
H3	C1	H4	108.117	H3	C1	H5	108.117
H4	C1	H5	108.116	H6	C2	H7	108.117
H6	C2	H8	108.117	H7	C2	H8	108.116

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: B2PLYP=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: B2PLYP=FULL/3-21G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)