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	hartrees
Energy at 0K	-997.939113
Energy at 298.15K	-997.943958
HF Energy	-997.132226
Nuclear repulsion energy	202.257616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3147	3068
2	A	3093	3015
3	A	1479	1442
4	A	1346	1312
5	A	1231	1199
6	A	1061	1034
7	A	964	939
8	A	679	661
9	A	263	256
10	A	118	115
11	B	3160	3080
12	B	3085	3007
13	B	1476	1438
14	B	1322	1289
15	B	1166	1137
16	B	903	881
17	B	703	685
18	B	410	400

Atom	x (Å)	y (Å)	z (Å)
C1	0.299	0.695	0.898
C2	-0.299	-0.695	0.898
Cl3	-0.299	1.683	-0.472
Cl4	0.299	-1.683	-0.472
H5	0.010	1.214	1.812
H6	1.383	0.658	0.825
H7	-0.010	-1.214	1.812
H8	-1.383	-0.658	0.825

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5134	1.7917	2.7448	1.0895	1.0875	2.1388	2.1593
C2	1.5134		2.7448	1.7917	2.1388	2.1593	1.0895	1.0875
Cl3	1.7917	2.7448		3.4185	2.3524	2.3585	3.7002	2.8874
Cl4	2.7448	1.7917	3.4185		3.7002	2.8874	2.3524	2.3585
H5	1.0895	2.1388	2.3524	3.7002		1.7797	2.4274	2.5329
H6	1.0875	2.1593	2.3585	2.8874	1.7797		2.5329	3.0625
H7	2.1388	1.0895	3.7002	2.3524	2.4274	2.5329		1.7797
H8	2.1593	1.0875	2.8874	2.3585	2.5329	3.0625	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.026	C1	C2	H7	109.434
C1	C2	H8	111.193	C2	C1	Cl3	112.026
C2	C1	H5	109.434	C2	C1	H6	111.193
Cl3	C1	H5	106.924	Cl3	C1	H6	107.470
Cl4	C2	H7	106.924	Cl4	C2	H8	107.470
H5	C1	H6	109.677	H7	C2	H8	109.677

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

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVTZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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