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	hartrees
Energy at 0K	-987.585676
Energy at 298.15K	-987.590330
HF Energy	-987.541734
Nuclear repulsion energy	197.622284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3503	3503	0.47
2	A	3385	3385	0.47
3	A	1632	1632	0.02
4	A	1455	1455	11.51
5	A	1307	1307	0.28
6	A	1123	1123	2.20
7	A	1029	1029	6.27
8	A	760	760	10.60
9	A	248	248	0.93
10	A	94	94	1.88
11	B	3509	3509	1.69
12	B	3382	3382	0.18
13	B	1623	1623	3.01
14	B	1432	1432	40.26
15	B	1241	1241	1.18
16	B	968	968	9.89
17	B	792	792	10.61
18	B	412	412	8.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.305	0.716	0.924
C2	-0.305	-0.716	0.924
Cl3	-0.305	1.721	-0.485
Cl4	0.305	-1.721	-0.485
H5	0.010	1.239	1.853
H6	1.407	0.677	0.854
H7	-0.010	-1.239	1.853
H8	-1.407	-0.677	0.854

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5553	1.8348	2.8142	1.1063	1.1048	2.1867	2.2071
C2	1.5553		2.8142	1.8348	2.1867	2.2071	1.1063	1.1048
Cl3	1.8348	2.8142		3.4949	2.4078	2.4110	3.7830	2.9590
Cl4	2.8142	1.8348	3.4949		3.7830	2.9590	2.4078	2.4110
H5	1.1063	2.1867	2.4078	3.7830		1.8065	2.4776	2.5831
H6	1.1048	2.2071	2.4110	2.9590	1.8065		2.5831	3.1218
H7	2.1867	1.1063	3.7830	2.4078	2.4776	2.5831		1.8065
H8	2.2071	1.1048	2.9590	2.4110	2.5831	3.1218	1.8065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.958	C1	C2	H7	109.318
C1	C2	H8	111.002	C2	C1	Cl3	111.958
C2	C1	H5	109.318	C2	C1	H6	111.002
Cl3	C1	H5	107.296	Cl3	C1	H6	107.600
Cl4	C2	H7	107.296	Cl4	C2	H8	107.600
H5	C1	H6	109.571	H7	C2	H8	109.571

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

using model chemistry: B2PLYP=FULL/STO-3G

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/STO-3G

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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