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	hartrees
Energy at 0K	-78.721104
Energy at 298.15K	-78.726967
HF Energy	-78.684598
Nuclear repulsion energy	41.822423

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	3355	3355	0.00	73.45	0.02	0.04
2	A_1g	1623	1623	0.00	7.93	0.74	0.85
3	A_1g	1110	1110	0.00	7.99	0.37	0.54
4	A_1u	300	300	0.00	0.00	0.00	0.00
5	A_2u	3358	3358	6.20	0.00	0.00	0.00
6	A_2u	1593	1593	0.03	0.00	0.00	0.00
7	E_g	3522	3522	0.00	50.66	0.75	0.86
7	E_g	3522	3522	0.00	50.66	0.75	0.86
8	E_g	1712	1712	0.00	31.87	0.75	0.86
8	E_g	1712	1712	0.00	31.87	0.75	0.86
9	E_g	1356	1356	0.00	5.47	0.75	0.86
9	E_g	1356	1356	0.00	5.47	0.75	0.86
10	E_u	3536	3536	5.36	0.00	0.00	0.00
10	E_u	3536	3536	5.36	0.00	0.00	0.00
11	E_u	1728	1728	4.03	0.00	0.00	0.00
11	E_u	1728	1728	4.03	0.00	0.00	0.00
12	E_u	914	914	5.25	0.00	0.00	0.00
12	E_u	914	914	5.25	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.775
C2	0.000	0.000	-0.775
H3	0.000	1.029	1.165
H4	-0.891	-0.514	1.165
H5	0.891	-0.514	1.165
H6	0.000	-1.029	-1.165
H7	-0.891	0.514	-1.165
H8	0.891	0.514	-1.165

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5508	1.0997	1.0997	1.0997	2.1959	2.1959	2.1959
C2	1.5508		2.1959	2.1959	2.1959	1.0997	1.0997	1.0997
H3	1.0997	2.1959		1.7815	1.7815	3.1077	2.5464	2.5464
H4	1.0997	2.1959	1.7815		1.7815	2.5464	2.5464	3.1077
H5	1.0997	2.1959	1.7815	1.7815		2.5464	3.1077	2.5464
H6	2.1959	1.0997	3.1077	2.5464	2.5464		1.7815	1.7815
H7	2.1959	1.0997	2.5464	2.5464	3.1077	1.7815		1.7815
H8	2.1959	1.0997	2.5464	3.1077	2.5464	1.7815	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.734	C1	C2	H7	110.734
C1	C2	H8	110.734	C2	C1	H3	110.734
C2	C1	H4	110.734	C2	C1	H5	110.734
H3	C1	H4	108.179	H3	C1	H5	108.179
H4	C1	H5	108.179	H6	C2	H7	108.179
H6	C2	H8	108.179	H7	C2	H8	108.179

All results from a given calculation for C₂H₆ (Ethane)

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

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/STO-3G

States and conformations

All results from a given calculation for C₂H₆ (Ethane)