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	hartrees
Energy at 0K	-998.446132
Energy at 298.15K	-998.450862
HF Energy	-998.352663
Nuclear repulsion energy	195.719094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3218	3218	0.16
2	A	3146	3146	13.41
3	A	1527	1527	0.86
4	A	1373	1373	20.70
5	A	1247	1247	0.76
6	A	1082	1082	1.88
7	A	970	970	11.24
8	A	606	606	22.58
9	A	259	259	1.33
10	A	105	105	1.50
11	B	3230	3230	2.38
12	B	3138	3138	2.13
13	B	1528	1528	14.69
14	B	1359	1359	44.92
15	B	1181	1181	1.01
16	B	911	911	19.24
17	B	630	630	31.77
18	B	400	400	11.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.686	0.931
C2	-0.314	-0.686	0.931
Cl3	-0.314	1.757	-0.485
Cl4	0.314	-1.757	-0.485
H5	0.040	1.226	1.838
H6	1.396	0.652	0.820
H7	-0.040	-1.226	1.838
H8	-1.396	-0.652	0.820

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5095	1.8829	2.8237	1.0907	1.0878	2.1456	2.1742
C2	1.5095		2.8237	1.8829	2.1456	2.1742	1.0907	1.0878
Cl3	1.8829	2.8237		3.5696	2.4093	2.4185	3.7904	2.9457
Cl4	2.8237	1.8829	3.5696		3.7904	2.9457	2.4093	2.4185
H5	1.0907	2.1456	2.4093	3.7904		1.7899	2.4523	2.5733
H6	1.0878	2.1742	2.4185	2.9457	1.7899		2.5733	3.0812
H7	2.1456	1.0907	3.7904	2.4093	2.4523	2.5733		1.7899
H8	2.1742	1.0878	2.9457	2.4185	2.5733	3.0812	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.217	C1	C2	H7	110.171
C1	C2	H8	112.660	C2	C1	Cl3	112.217
C2	C1	H5	110.171	C2	C1	H6	112.660
Cl3	C1	H5	105.097	Cl3	C1	H6	105.877
Cl4	C2	H7	105.097	Cl4	C2	H8	105.877
H5	C1	H6	110.489	H7	C2	H8	110.489

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-)