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	hartrees
Energy at 0K	-79.673711
Energy at 298.15K	-79.679620
HF Energy	-79.258454
Nuclear repulsion energy	42.212407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3034	3034
2	A_1g	1426	1426
3	A_1g	1013	1013
4	A_1u	313	313
5	A_2u	3033	3033
6	A_2u	1409	1409
7	E_g	3100	3100
7	E_g	3099	3099
8	E_g	1512	1512
8	E_g	1512	1512
9	E_g	1222	1222
9	E_g	1222	1222
10	E_u	3122	3122
10	E_u	3122	3122
11	E_u	1512	1512
11	E_u	1511	1511
12	E_u	822	822
12	E_u	822	822

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	1.159
H4	-0.882	-0.509	1.159
H5	0.882	-0.509	1.159
H6	0.000	-1.018	-1.159
H7	-0.882	0.509	-1.159
H8	0.882	0.509	-1.159

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5301	1.0920	1.0920	1.0920	2.1772	2.1772	2.1772
C2	1.5301		2.1772	2.1772	2.1772	1.0920	1.0920	1.0920
H3	1.0920	2.1772		1.7637	1.7637	3.0861	2.5324	2.5324
H4	1.0920	2.1772	1.7637		1.7637	2.5324	2.5324	3.0861
H5	1.0920	2.1772	1.7637	1.7637		2.5324	3.0861	2.5324
H6	2.1772	1.0920	3.0861	2.5324	2.5324		1.7637	1.7637
H7	2.1772	1.0920	2.5324	2.5324	3.0861	1.7637		1.7637
H8	2.1772	1.0920	2.5324	3.0861	2.5324	1.7637	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.165	C1	C2	H7	111.165
C1	C2	H8	111.165	C2	C1	H3	111.165
C2	C1	H4	111.165	C2	C1	H5	111.165
H3	C1	H4	107.726	H3	C1	H5	107.726
H4	C1	H5	107.726	H6	C2	H7	107.726
H6	C2	H8	107.726	H7	C2	H8	107.726

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP4/6-311+G(3df,2pd)

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: MP4/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₂H₆ (Ethane)