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	hartrees
Energy at 0K	-997.712759
Energy at 298.15K	-997.717604
HF Energy	-997.075962
Nuclear repulsion energy	201.030763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3161	3045
2	A	3100	2986
3	A	1468	1414
4	A	1343	1294
5	A	1229	1183
6	A	1065	1026
7	A	965	929
8	A	678	653
9	A	265	255
10	A	119	115
11	B	3172	3055
12	B	3090	2976
13	B	1463	1409
14	B	1315	1267
15	B	1158	1115
16	B	900	867
17	B	703	677
18	B	412	397

Atom	x (Å)	y (Å)	z (Å)
C1	0.298	0.701	0.900
C2	-0.298	-0.701	0.900
Cl3	-0.298	1.694	-0.475
Cl4	0.298	-1.694	-0.475
H5	0.003	1.219	1.829
H6	1.397	0.663	0.836
H7	-0.003	-1.219	1.829
H8	-1.397	-0.663	0.836

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5227	1.7979	2.7617	1.1037	1.1018	2.1541	2.1762
C2	1.5227		2.7617	1.7979	2.1541	2.1762	1.1037	1.1018
Cl3	1.7979	2.7617		3.4405	2.3714	2.3773	3.7260	2.9123
Cl4	2.7617	1.7979	3.4405		3.7260	2.9123	2.3714	2.3773
H5	1.1037	2.1541	2.3714	3.7260		1.7996	2.4388	2.5479
H6	1.1018	2.1762	2.3773	2.9123	1.7996		2.5479	3.0925
H7	2.1541	1.1037	3.7260	2.3714	2.4388	2.5479		1.7996
H8	2.1762	1.1018	2.9123	2.3773	2.5479	3.0925	1.7996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.279	C1	C2	H7	109.164
C1	C2	H8	111.015	C2	C1	Cl3	112.279
C2	C1	H5	109.164	C2	C1	H6	111.015
Cl3	C1	H5	107.191	Cl3	C1	H6	107.713
Cl4	C2	H7	107.191	Cl4	C2	H8	107.713
H5	C1	H6	109.372	H7	C2	H8	109.372

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

using model chemistry: CCSD(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: CCSD(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-)