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	hartrees
Energy at 0K	-997.713043
Energy at 298.15K	-997.717886
HF Energy	-997.075948
Nuclear repulsion energy	201.019653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3160	3030
2	A	3099	2972
3	A	1468	1408
4	A	1343	1287
5	A	1228	1178
6	A	1065	1021
7	A	964	925
8	A	678	650
9	A	265	254
10	A	120	115
11	B	3171	3041
12	B	3089	2962
13	B	1463	1403
14	B	1315	1261
15	B	1157	1110
16	B	899	862
17	B	702	673
18	B	412	395

Atom	x (Å)	y (Å)	z (Å)
C1	0.298	0.701	0.901
C2	-0.298	-0.701	0.901
Cl3	-0.298	1.694	-0.475
Cl4	0.298	-1.694	-0.475
H5	0.003	1.220	1.830
H6	1.397	0.663	0.836
H7	-0.003	-1.220	1.830
H8	-1.397	-0.663	0.836

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5228	1.7982	2.7619	1.1037	1.1018	2.1546	2.1763
C2	1.5228		2.7619	1.7982	2.1546	2.1763	1.1037	1.1018
Cl3	1.7982	2.7619		3.4397	2.3718	2.3775	3.7267	2.9129
Cl4	2.7619	1.7982	3.4397		3.7267	2.9129	2.3718	2.3775
H5	1.1037	2.1546	2.3718	3.7267		1.7996	2.4402	2.5482
H6	1.1018	2.1763	2.3775	2.9129	1.7996		2.5482	3.0927
H7	2.1546	1.1037	3.7267	2.3718	2.4402	2.5482		1.7996
H8	2.1763	1.1018	2.9129	2.3775	2.5482	3.0927	1.7996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.273	C1	C2	H7	109.195
C1	C2	H8	111.009	C2	C1	Cl3	112.273
C2	C1	H5	109.195	C2	C1	H6	111.009
Cl3	C1	H5	107.194	Cl3	C1	H6	107.700
Cl4	C2	H7	107.194	Cl4	C2	H8	107.700
H5	C1	H6	109.362	H7	C2	H8	109.362

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

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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(T)=FULL/cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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