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	hartrees
Energy at 0K	-992.927638
Energy at 298.15K	-992.932480
HF Energy	-992.433679
Nuclear repulsion energy	200.287423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3155	3018	0.48
2	A	3102	2967	14.00
3	A	1547	1479	0.22
4	A	1395	1334	14.38
5	A	1278	1222	0.94
6	A	1044	999	0.00
7	A	972	930	12.29
8	A	653	624	16.42
9	A	268	256	0.89
10	A	116	111	1.07
11	B	3168	3030	3.43
12	B	3094	2960	2.35
13	B	1552	1485	14.45
14	B	1391	1330	24.11
15	B	1225	1172	0.94
16	B	929	889	14.98
17	B	682	652	18.75
18	B	424	406	7.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.303	0.705	0.914
C2	-0.303	-0.705	0.914
Cl3	-0.303	1.693	-0.480
Cl4	0.303	-1.693	-0.480
H5	0.009	1.228	1.831
H6	1.392	0.662	0.841
H7	-0.009	-1.228	1.831
H8	-1.392	-0.662	0.841

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5352	1.8127	2.7744	1.0951	1.0928	2.1622	2.1787
C2	1.5352		2.7744	1.8127	2.1622	2.1787	1.0951	1.0928
Cl3	1.8127	2.7744		3.4405	2.3773	2.3836	3.7362	2.9116
Cl4	2.7744	1.8127	3.4405		3.7362	2.9116	2.3773	2.3836
H5	1.0951	2.1622	2.3773	3.7362		1.7927	2.4562	2.5522
H6	1.0928	2.1787	2.3836	2.9116	1.7927		2.5522	3.0828
H7	2.1622	1.0951	3.7362	2.3773	2.4562	2.5522		1.7927
H8	2.1787	1.0928	2.9116	2.3836	2.5522	3.0828	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.662	C1	C2	H7	109.439
C1	C2	H8	110.877	C2	C1	Cl3	111.662
C2	C1	H5	109.439	C2	C1	H6	110.877
Cl3	C1	H5	107.085	Cl3	C1	H6	107.652
Cl4	C2	H7	107.085	Cl4	C2	H8	107.652
H5	C1	H6	110.040	H7	C2	H8	110.040

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

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

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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