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	hartrees
Energy at 0K	-997.550925
Energy at 298.15K	-997.555712
HF Energy	-997.030438
Nuclear repulsion energy	195.069586

	hartrees
Energy at 0K	-997.548481
Energy at 298.15K	-997.553403
HF Energy	-997.027377
Nuclear repulsion energy	202.685427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3220	3036	0.75
2	A	3155	2975	19.26
3	A	1535	1448	0.05
4	A	1410	1330	22.86
5	A	1287	1213	1.14
6	A	1100	1038	0.39
7	A	1009	951	11.54
8	A	711	670	16.41
9	A	271	255	0.82
10	A	124	117	0.94
11	B	3230	3046	4.04
12	B	3149	2970	3.43
13	B	1532	1444	12.44
14	B	1391	1311	35.31
15	B	1219	1150	1.47
16	B	943	889	18.17
17	B	740	697	18.90
18	B	426	402	7.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.293	0.698	0.891
C2	-0.293	-0.698	0.891
Cl3	-0.293	1.683	-0.470
Cl4	0.293	-1.683	-0.470
H5	-0.001	1.205	1.813
H6	1.382	0.661	0.833
H7	0.001	-1.205	1.813
H8	-1.382	-0.661	0.833

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5135	1.7800	2.7425	1.0924	1.0905	2.1342	2.1578
C2	1.5135		2.7425	1.7800	2.1342	2.1578	1.0924	1.0905
Cl3	1.7800	2.7425		3.4176	2.3506	2.3557	3.6932	2.8950
Cl4	2.7425	1.7800	3.4176		3.6932	2.8950	2.3506	2.3557
H5	1.0924	2.1342	2.3506	3.6932		1.7792	2.4099	2.5198
H6	1.0905	2.1578	2.3557	2.8950	1.7792		2.5198	3.0637
H7	2.1342	1.0924	3.6932	2.3506	2.4099	2.5198		1.7792
H8	2.1578	1.0905	2.8950	2.3557	2.5198	3.0637	1.7792

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

using model chemistry: MP2/6-31G*

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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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.503	C1	C2	H7	108.892
C1	C2	H8	110.872	C2	C1	Cl3	112.503
C2	C1	H5	108.892	C2	C1	H6	110.872
Cl3	C1	H5	107.406	Cl3	C1	H6	107.877
Cl4	C2	H7	107.406	Cl4	C2	H8	107.877
H5	C1	H6	109.189	H7	C2	H8	109.189

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

using model chemistry: MP2/6-31G*

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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