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	hartrees
Energy at 0K	-998.608112
Energy at 298.15K	-998.612962
HF Energy	-998.419760
Nuclear repulsion energy	201.379828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3199	0.91
2	A	3136	3136	22.13
3	A	1509	1509	0.08
4	A	1380	1380	24.56
5	A	1260	1260	1.25
6	A	1072	1072	0.67
7	A	978	978	12.21
8	A	677	677	20.07
9	A	264	264	0.87
10	A	118	118	0.99
11	B	3210	3210	5.61
12	B	3129	3129	3.63
13	B	1505	1505	10.28
14	B	1357	1357	45.18
15	B	1193	1193	1.10
16	B	917	917	18.33
17	B	704	704	26.24
18	B	416	416	8.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.295	0.697	0.893
C2	-0.295	-0.697	0.893
Cl3	-0.295	1.703	-0.470
Cl4	0.295	-1.703	-0.470
H5	0.004	1.204	1.812
H6	1.380	0.664	0.828
H7	-0.004	-1.204	1.812
H8	-1.380	-0.664	0.828

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5132	1.7945	2.7600	1.0896	1.0874	2.1326	2.1593
C2	1.5132		2.7600	1.7945	2.1326	2.1593	1.0896	1.0874
Cl3	1.7945	2.7600		3.4577	2.3551	2.3609	3.7077	2.9096
Cl4	2.7600	1.7945	3.4577		3.7077	2.9096	2.3551	2.3609
H5	1.0896	2.1326	2.3551	3.7077		1.7760	2.4086	2.5248
H6	1.0874	2.1593	2.3609	2.9096	1.7760		2.5248	3.0633
H7	2.1326	1.0896	3.7077	2.3551	2.4086	2.5248		1.7760
H8	2.1593	1.0874	2.9096	2.3609	2.5248	3.0633	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.834	C1	C2	H7	108.947
C1	C2	H8	111.200	C2	C1	Cl3	112.834
C2	C1	H5	108.947	C2	C1	H6	111.200
Cl3	C1	H5	106.937	Cl3	C1	H6	107.464
Cl4	C2	H7	106.937	Cl4	C2	H8	107.464
H5	C1	H6	109.326	H7	C2	H8	109.326

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G**

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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