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	hartrees
Energy at 0K	-997.957001
Energy at 298.15K	-997.961914
HF Energy	-997.132220
Nuclear repulsion energy	204.294013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3021	0.60
2	A	3138	2980	20.48
3	A	1496	1420	0.35
4	A	1360	1291	15.86
5	A	1252	1189	0.91
6	A	1082	1027	1.44
7	A	982	933	9.42
8	A	705	670	14.28
9	A	269	255	0.78
10	A	125	119	0.69
11	B	3195	3033	2.92
12	B	3132	2974	3.14
13	B	1493	1418	12.07
14	B	1336	1269	30.45
15	B	1187	1127	0.86
16	B	916	870	16.34
17	B	729	692	17.50
18	B	419	398	6.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.293	0.691	0.895
C2	-0.293	-0.691	0.895
Cl3	-0.293	1.659	-0.471
Cl4	0.293	-1.659	-0.471
H5	0.000	1.207	1.802
H6	1.373	0.653	0.832
H7	-0.000	-1.207	1.802
H8	-1.373	-0.653	0.832

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5016	1.7743	2.7185	1.0835	1.0818	2.1238	2.1417
C2	1.5016		2.7185	1.7743	2.1238	2.1417	1.0835	1.0818
Cl3	1.7743	2.7185		3.3694	2.3363	2.3415	3.6696	2.8650
Cl4	2.7185	1.7743	3.3694		3.6696	2.8650	2.3363	2.3415
H5	1.0835	2.1238	2.3363	3.6696		1.7698	2.4135	2.5073
H6	1.0818	2.1417	2.3415	2.8650	1.7698		2.5073	3.0403
H7	2.1238	1.0835	3.6696	2.3363	2.4135	2.5073		1.7698
H8	2.1417	1.0818	2.8650	2.3415	2.5073	3.0403	1.7698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.903	C1	C2	H7	109.411
C1	C2	H8	110.949	C2	C1	Cl3	111.903
C2	C1	H5	109.411	C2	C1	H6	110.949
Cl3	C1	H5	107.189	Cl3	C1	H6	107.656
Cl4	C2	H7	107.189	Cl4	C2	H8	107.656
H5	C1	H6	109.637	H7	C2	H8	109.637

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

using model chemistry: MP2=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: MP2=FULL/cc-pVTZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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