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	hartrees
Energy at 0K	-997.817654
Energy at 298.15K	-997.822563
HF Energy	-997.103633
Nuclear repulsion energy	201.726340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3023	1.82
2	A	3132	2967	26.23
3	A	1501	1422	0.17
4	A	1401	1328	23.37
5	A	1264	1197	1.13
6	A	1086	1029	0.64
7	A	989	937	7.88
8	A	690	654	18.04
9	A	272	257	0.59
10	A	122	116	0.92
11	B	3202	3034	7.52
12	B	3123	2959	4.26
13	B	1495	1416	8.79
14	B	1378	1306	46.60
15	B	1197	1134	1.28
16	B	926	878	13.59
17	B	718	680	20.56
18	B	421	399	7.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.298	0.694	0.894
C2	-0.298	-0.694	0.894
Cl3	-0.298	1.697	-0.471
Cl4	0.298	-1.697	-0.471
H5	0.011	1.202	1.812
H6	1.381	0.653	0.822
H7	-0.011	-1.202	1.812
H8	-1.381	-0.653	0.822

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5101	1.7952	2.7524	1.0879	1.0859	2.1289	2.1534
C2	1.5101		2.7524	1.7952	2.1289	2.1534	1.0879	1.0859
Cl3	1.7952	2.7524		3.4451	2.3557	2.3615	3.7007	2.8923
Cl4	2.7524	1.7952	3.4451		3.7007	2.8923	2.3557	2.3615
H5	1.0879	2.1289	2.3557	3.7007		1.7771	2.4044	2.5216
H6	1.0859	2.1534	2.3615	2.8923	1.7771		2.5216	3.0548
H7	2.1289	1.0879	3.7007	2.3557	2.4044	2.5216		1.7771
H8	2.1534	1.0859	2.8923	2.3615	2.5216	3.0548	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.479	C1	C2	H7	108.977
C1	C2	H8	111.050	C2	C1	Cl3	112.479
C2	C1	H5	108.977	C2	C1	H6	111.050
Cl3	C1	H5	107.018	Cl3	C1	H6	107.537
Cl4	C2	H7	107.018	Cl4	C2	H8	107.537
H5	C1	H6	109.674	H7	C2	H8	109.674

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

using model chemistry: CCSD=FULL/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=FULL/TZVP

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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