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	hartrees
Energy at 0K	-997.622495
Energy at 298.15K	-997.627394
HF Energy	-997.027322
Nuclear repulsion energy	202.061822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3185	3025	1.29
2	A	3129	2972	22.75
3	A	1528	1452	0.12
4	A	1405	1335	22.15
5	A	1281	1217	0.90
6	A	1095	1040	0.43
7	A	1001	951	10.57
8	A	699	664	16.58
9	A	269	256	0.79
10	A	121	115	1.00
11	B	3196	3035	6.66
12	B	3121	2964	3.84
13	B	1525	1448	11.51
14	B	1384	1315	35.66
15	B	1212	1152	1.28
16	B	937	890	16.39
17	B	728	692	19.81
18	B	425	403	7.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.296	0.698	0.891
C2	-0.296	-0.698	0.891
Cl3	-0.296	1.692	-0.470
Cl4	0.296	-1.692	-0.470
H5	0.007	1.208	1.814
H6	1.385	0.661	0.827
H7	-0.007	-1.208	1.814
H8	-1.385	-0.661	0.827

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5154	1.7857	2.7497	1.0939	1.0920	2.1387	2.1623
C2	1.5154		2.7497	1.7857	2.1387	2.1623	1.0939	1.0920
Cl3	1.7857	2.7497		3.4354	2.3542	2.3601	3.7023	2.8993
Cl4	2.7497	1.7857	3.4354		3.7023	2.8993	2.3542	2.3601
H5	1.0939	2.1387	2.3542	3.7023		1.7814	2.4151	2.5304
H6	1.0920	2.1623	2.3601	2.8993	1.7814		2.5304	3.0698
H7	2.1387	1.0939	3.7023	2.3542	2.4151	2.5304		1.7814
H8	2.1623	1.0920	2.8993	2.3601	2.5304	3.0698	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.551	C1	C2	H7	109.031
C1	C2	H8	111.010	C2	C1	Cl3	112.551
C2	C1	H5	109.031	C2	C1	H6	111.010
Cl3	C1	H5	107.220	Cl3	C1	H6	107.747
Cl4	C2	H7	107.220	Cl4	C2	H8	107.747
H5	C1	H6	109.165	H7	C2	H8	109.165

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

using model chemistry: CCSD=FULL/6-31G*

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/6-31G*

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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