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	hartrees
Energy at 0K	-986.426441
Energy at 298.15K	-986.431149
HF Energy	-986.298246
Nuclear repulsion energy	197.492711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3527	3135	0.15
2	A	3408	3029	0.01
3	A	1658	1474	0.42
4	A	1482	1318	12.65
5	A	1331	1183	0.19
6	A	1142	1015	2.06
7	A	1050	933	4.64
8	A	778	691	9.80
9	A	252	224	0.73
10	A	98	87	1.82
11	B	3532	3140	0.55
12	B	3406	3027	0.00
13	B	1649	1465	1.56
14	B	1457	1295	46.16
15	B	1265	1124	1.44
16	B	987	877	7.06
17	B	812	722	9.18
18	B	421	374	7.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.302	0.720	0.922
C2	-0.302	-0.720	0.922
Cl3	-0.302	1.723	-0.485
Cl4	0.302	-1.723	-0.485
H5	0.004	1.240	1.856
H6	1.408	0.684	0.860
H7	-0.004	-1.240	1.856
H8	-1.408	-0.684	0.860

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5626	1.8304	2.8196	1.1096	1.1085	2.1933	2.2140
C2	1.5626		2.8196	1.8304	2.1933	2.2140	1.1096	1.1085
Cl3	1.8304	2.8196		3.4986	2.4095	2.4120	3.7881	2.9708
Cl4	2.8196	1.8304	3.4986		3.7881	2.9708	2.4095	2.4120
H5	1.1096	2.1933	2.4095	3.7881		1.8091	2.4809	2.5860
H6	1.1085	2.2140	2.4120	2.9708	1.8091		2.5860	3.1311
H7	2.1933	1.1096	3.7881	2.4095	2.4809	2.5860		1.8091
H8	2.2140	1.1085	2.9708	2.4120	2.5860	3.1311	1.8091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.162	C1	C2	H7	109.155
C1	C2	H8	110.821	C2	C1	Cl3	112.162
C2	C1	H5	109.155	C2	C1	H6	110.821
Cl3	C1	H5	107.539	Cl3	C1	H6	107.775
Cl4	C2	H7	107.539	Cl4	C2	H8	107.775
H5	C1	H6	109.298	H7	C2	H8	109.298

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

using model chemistry: MP2=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: MP2=FULL/STO-3G

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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