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	hartrees
Energy at 0K	-992.862302
Energy at 298.15K	-992.867209
HF Energy	-992.434376
Nuclear repulsion energy	201.114724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3243	3018	0.23
2	A	3190	2968	13.02
3	A	1583	1473	0.33
4	A	1430	1331	16.40
5	A	1313	1222	0.86
6	A	1071	997	0.00
7	A	996	927	14.67
8	A	670	624	20.68
9	A	275	256	0.96
10	A	118	110	1.17
11	B	3256	3030	2.00
12	B	3180	2959	2.37
13	B	1589	1478	16.29
14	B	1425	1326	27.32
15	B	1257	1169	0.90
16	B	953	887	17.59
17	B	698	650	24.48
18	B	435	405	8.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.302	0.701	0.907
C2	-0.302	-0.701	0.907
Cl3	-0.302	1.690	-0.476
Cl4	0.302	-1.690	-0.476
H5	0.014	1.220	1.819
H6	1.385	0.658	0.831
H7	-0.014	-1.220	1.819
H8	-1.385	-0.658	0.831

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5278	1.8046	2.7629	1.0880	1.0857	2.1503	2.1678
C2	1.5278		2.7629	1.8046	2.1503	2.1678	1.0880	1.0857
Cl3	1.8046	2.7629		3.4342	2.3639	2.3709	3.7175	2.8971
Cl4	2.7629	1.8046	3.4342		3.7175	2.8971	2.3639	2.3709
H5	1.0880	2.1503	2.3639	3.7175		1.7806	2.4402	2.5411
H6	1.0857	2.1678	2.3709	2.8971	1.7806		2.5411	3.0657
H7	2.1503	1.0880	3.7175	2.3639	2.4402	2.5411		1.7806
H8	2.1678	1.0857	2.8971	2.3709	2.5411	3.0657	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.745	C1	C2	H7	109.432
C1	C2	H8	110.954	C2	C1	Cl3	111.745
C2	C1	H5	109.432	C2	C1	H6	110.954
Cl3	C1	H5	107.000	Cl3	C1	H6	107.615
Cl4	C2	H7	107.000	Cl4	C2	H8	107.615
H5	C1	H6	110.001	H7	C2	H8	110.001

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

using model chemistry: CID/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: CID/3-21G*

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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