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	hartrees
Energy at 0K	-998.038444
Energy at 298.15K
HF Energy	-997.132383
Nuclear repulsion energy	203.132798

Atom	x (Å)	y (Å)	z (Å)
C1	0.296	0.693	0.899
C2	-0.296	-0.693	0.899
Cl3	-0.296	1.672	-0.473
Cl4	0.296	-1.672	-0.473
H5	0.003	1.211	1.807
H6	1.377	0.655	0.832
H7	-0.003	-1.211	1.807
H8	-1.377	-0.655	0.832

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5065	1.7858	2.7337	1.0857	1.0838	2.1303	2.1490
C2	1.5065		2.7337	1.7858	2.1303	2.1490	1.0857	1.0838
Cl3	1.7858	2.7337		3.3954	2.3452	2.3516	3.6868	2.8784
Cl4	2.7337	1.7858	3.3954		3.6868	2.8784	2.3452	2.3516
H5	1.0857	2.1303	2.3452	3.6868		1.7739	2.4216	2.5175
H6	1.0838	2.1490	2.3516	2.8784	1.7739		2.5175	3.0491
H7	2.1303	1.0857	3.6868	2.3452	2.4216	2.5175		1.7739
H8	2.1490	1.0838	2.8784	2.3516	2.5175	3.0491	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.985	C1	C2	H7	109.459
C1	C2	H8	111.066	C2	C1	Cl3	111.985
C2	C1	H5	109.459	C2	C1	H6	111.066
Cl3	C1	H5	106.977	Cl3	C1	H6	107.538
Cl4	C2	H7	106.977	Cl4	C2	H8	107.538
H5	C1	H6	109.708	H7	C2	H8	109.708

All results from a given calculation for CH₂ClCH₂Cl (Ethane, 1,2-dichloro-)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

	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 CH2ClCH2Cl (Ethane, 1,2-dichloro-)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

All results from a given calculation for CH₂ClCH₂Cl (Ethane, 1,2-dichloro-)