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	hartrees
Energy at 0K	-997.748660
Energy at 298.15K	-997.753535
HF Energy	-997.103441
Nuclear repulsion energy	201.231164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3169	3050
2	A	3109	2992
3	A	1485	1430
4	A	1384	1332
5	A	1245	1198
6	A	1072	1032
7	A	977	940
8	A	676	651
9	A	270	260
10	A	122	117
11	B	3181	3062
12	B	3100	2984
13	B	1479	1423
14	B	1361	1310
15	B	1180	1135
16	B	914	880
17	B	702	676
18	B	415	399

Atom	x (Å)	y (Å)	z (Å)
C1	0.299	0.695	0.899
C2	-0.299	-0.695	0.899
Cl3	-0.299	1.698	-0.473
Cl4	0.299	-1.698	-0.473
H5	0.007	1.206	1.817
H6	1.384	0.655	0.827
H7	-0.007	-1.206	1.817
H8	-1.384	-0.655	0.827

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5128	1.8016	2.7587	1.0906	1.0884	2.1330	2.1584
C2	1.5128		2.7587	1.8016	2.1330	2.1584	1.0906	1.0884
Cl3	1.8016	2.7587		3.4490	2.3626	2.3684	3.7101	2.8994
Cl4	2.7587	1.8016	3.4490		3.7101	2.8994	2.3626	2.3684
H5	1.0906	2.1330	2.3626	3.7101		1.7833	2.4115	2.5256
H6	1.0884	2.1584	2.3684	2.8994	1.7833		2.5256	3.0622
H7	2.1330	1.0906	3.7101	2.3626	2.4115	2.5256		1.7833
H8	2.1584	1.0884	2.8994	2.3684	2.5256	3.0622	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.385	C1	C2	H7	108.948
C1	C2	H8	111.101	C2	C1	Cl3	112.385
C2	C1	H5	108.948	C2	C1	H6	111.101
Cl3	C1	H5	106.965	Cl3	C1	H6	107.491
Cl4	C2	H7	106.965	Cl4	C2	H8	107.491
H5	C1	H6	109.850	H7	C2	H8	109.850

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

using model chemistry: CCSD(T)/TZVP

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)/TZVP

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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