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	hartrees
Energy at 0K	-992.930491
Energy at 298.15K	-992.935312
HF Energy	-992.433552
Nuclear repulsion energy	200.031241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3145	3023	0.48
2	A	3092	2971	14.30
3	A	1541	1481	0.18
4	A	1387	1333	14.86
5	A	1271	1222	1.02
6	A	1038	998	0.01
7	A	964	927	12.61
8	A	642	617	17.49
9	A	267	256	0.90
10	A	115	110	1.06
11	B	3158	3035	3.32
12	B	3084	2964	2.38
13	B	1547	1487	14.09
14	B	1382	1329	25.71
15	B	1219	1172	0.92
16	B	924	888	15.02
17	B	670	644	20.35
18	B	421	405	7.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.304	0.705	0.916
C2	-0.304	-0.705	0.916
Cl3	-0.304	1.695	-0.481
Cl4	0.304	-1.695	-0.481
H5	0.011	1.230	1.832
H6	1.394	0.662	0.839
H7	-0.011	-1.230	1.832
H8	-1.394	-0.662	0.839

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5363	1.8167	2.7771	1.0955	1.0932	2.1645	2.1812
C2	1.5363		2.7771	1.8167	2.1645	2.1812	1.0955	1.0932
Cl3	1.8167	2.7771		3.4438	2.3800	2.3858	3.7405	2.9125
Cl4	2.7771	1.8167	3.4438		3.7405	2.9125	2.3800	2.3858
H5	1.0955	2.1645	2.3800	3.7405		1.7945	2.4607	2.5573
H6	1.0932	2.1812	2.3858	2.9125	1.7945		2.5573	3.0857
H7	2.1645	1.0955	3.7405	2.3800	2.4607	2.5573		1.7945
H8	2.1812	1.0932	2.9125	2.3858	2.5573	3.0857	1.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.565	C1	C2	H7	109.522
C1	C2	H8	110.979	C2	C1	Cl3	111.565
C2	C1	H5	109.522	C2	C1	H6	110.979
Cl3	C1	H5	106.999	Cl3	C1	H6	107.531
Cl4	C2	H7	106.999	Cl4	C2	H8	107.531
H5	C1	H6	110.151	H7	C2	H8	110.151

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

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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