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	hartrees
Energy at 0K	-997.924645
Energy at 298.15K
HF Energy	-997.134171
Nuclear repulsion energy	202.626208

Atom	x (Å)	y (Å)	z (Å)
C1	0.297	0.695	0.896
C2	-0.297	-0.695	0.896
Cl3	-0.297	1.680	-0.471
Cl4	0.297	-1.680	-0.471
H5	0.007	1.213	1.809
H6	1.381	0.660	0.823
H7	-0.007	-1.213	1.809
H8	-1.381	-0.660	0.823

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5116	1.7874	2.7406	1.0884	1.0866	2.1367	2.1580
C2	1.5116		2.7406	1.7874	2.1367	2.1580	1.0884	1.0866
Cl3	1.7874	2.7406		3.4122	2.3469	2.3521	3.6949	2.8853
Cl4	2.7406	1.7874	3.4122		3.6949	2.8853	2.3469	2.3521
H5	1.0884	2.1367	2.3469	3.6949		1.7786	2.4265	2.5311
H6	1.0866	2.1580	2.3521	2.8853	1.7786		2.5311	3.0609
H7	2.1367	1.0884	3.6949	2.3469	2.4265	2.5311		1.7786
H8	2.1580	1.0866	2.8853	2.3521	2.5311	3.0609	1.7786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.078	C1	C2	H7	109.456
C1	C2	H8	111.267	C2	C1	Cl3	112.078
C2	C1	H5	109.456	C2	C1	H6	111.267
Cl3	C1	H5	106.865	Cl3	C1	H6	107.332
Cl4	C2	H7	106.865	Cl4	C2	H8	107.332
H5	C1	H6	109.719	H7	C2	H8	109.719

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

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVTZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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