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	hartrees
Energy at 0K	-14.872779
Energy at 298.15K	-14.878639
HF Energy	-14.872779
Nuclear repulsion energy	26.335722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3099	3099	0.00
2	A_1g	1433	1433	0.00
3	A_1g	1035	1035	0.00
4	A_1u	294	294	0.00
5	A_2u	3098	3098	57.57
6	A_2u	1389	1389	4.46
7	E_g	3166	3166	0.00
7	E_g	3166	3166	0.00
8	E_g	1503	1503	0.00
8	E_g	1503	1503	0.00
9	E_g	1202	1202	0.00
9	E_g	1202	1202	0.00
10	E_u	3188	3188	84.90
10	E_u	3187	3187	85.27
11	E_u	1506	1506	13.76
11	E_u	1506	1506	13.63
12	E_u	806	806	7.94
12	E_u	806	806	7.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.772
C2	0.000	0.000	-0.772
H3	0.000	1.027	1.169
H4	-0.890	-0.514	1.169
H5	0.890	-0.514	1.169
H6	0.000	-1.027	-1.169
H7	-0.890	0.514	-1.169
H8	0.890	0.514	-1.169

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5437	1.1015	1.1015	1.1015	2.1959	2.1959	2.1959
C2	1.5437		2.1959	2.1959	2.1959	1.1015	1.1015	1.1015
H3	1.1015	2.1959		1.7797	1.7797	3.1125	2.5535	2.5535
H4	1.1015	2.1959	1.7797		1.7797	2.5535	2.5535	3.1125
H5	1.1015	2.1959	1.7797	1.7797		2.5535	3.1125	2.5535
H6	2.1959	1.1015	3.1125	2.5535	2.5535		1.7797	1.7797
H7	2.1959	1.1015	2.5535	2.5535	3.1125	1.7797		1.7797
H8	2.1959	1.1015	2.5535	3.1125	2.5535	1.7797	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.125	C1	C2	H7	111.125
C1	C2	H8	111.125	C2	C1	H3	111.125
C2	C1	H4	111.125	C2	C1	H5	111.125
H3	C1	H4	107.768	H3	C1	H5	107.768
H4	C1	H5	107.768	H6	C2	H7	107.768
H6	C2	H8	107.768	H7	C2	H8	107.768

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: M06-2X/CEP-31G*

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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Number	Element	Mulliken
1	C	-0.402
2	C	-0.402
3	H	0.134
4	H	0.134
5	H	0.134
6	H	0.134
7	H	0.134
8	H	0.134

	x	y	z
x	3.076	0.000	0.000
y	0.000	3.068	-0.003
z	0.000	-0.003	3.610

<r²>	28.476
(<r²>)^1/2	5.336

All results from a given calculation for C2H6 (Ethane)

using model chemistry: M06-2X/CEP-31G*

States and conformations

All results from a given calculation for C₂H₆ (Ethane)