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	hartrees
Energy at 0K	-998.003247
Energy at 298.15K	-998.008157
HF Energy	-997.132510
Nuclear repulsion energy	203.326097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	2979	0.71
2	A	3160	2947	20.26
3	A	1512	1410	0.41
4	A	1378	1285	16.08
5	A	1264	1179	0.59
6	A	1087	1014	1.32
7	A	987	921	9.30
8	A	699	652	15.06
9	A	268	250	0.79
10	A	122	114	0.82
11	B	3208	2991	4.10
12	B	3151	2939	2.69
13	B	1509	1407	11.34
14	B	1353	1262	33.46
15	B	1196	1115	0.71
16	B	922	860	15.22
17	B	725	676	19.48
18	B	419	391	6.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.295	0.692	0.892
C2	-0.295	-0.692	0.892
Cl3	-0.295	1.678	-0.469
Cl4	0.295	-1.678	-0.469
H5	0.008	1.204	1.800
H6	1.372	0.654	0.821
H7	-0.008	-1.204	1.800
H8	-1.372	-0.654	0.821

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5048	1.7807	2.7324	1.0814	1.0796	2.1238	2.1441
C2	1.5048		2.7324	1.7807	2.1238	2.1441	1.0814	1.0796
Cl3	1.7807	2.7324		3.4069	2.3374	2.3433	3.6785	2.8741
Cl4	2.7324	1.7807	3.4069		3.6785	2.8741	2.3374	2.3433
H5	1.0814	2.1238	2.3374	3.6785		1.7666	2.4074	2.5127
H6	1.0796	2.1441	2.3433	2.8741	1.7666		2.5127	3.0399
H7	2.1238	1.0814	3.6785	2.3374	2.4074	2.5127		1.7666
H8	2.1441	1.0796	2.8741	2.3433	2.5127	3.0399	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.267	C1	C2	H7	109.320
C1	C2	H8	111.048	C2	C1	Cl3	112.267
C2	C1	H5	109.320	C2	C1	H6	111.048
Cl3	C1	H5	106.954	Cl3	C1	H6	107.475
Cl4	C2	H7	106.954	Cl4	C2	H8	107.475
H5	C1	H6	109.664	H7	C2	H8	109.664

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

using model chemistry: MP3=FULL/cc-pVTZ

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: MP3=FULL/cc-pVTZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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