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	hartrees
Energy at 0K	-992.533083
Energy at 298.15K	-992.537802
HF Energy	-992.222865
Nuclear repulsion energy	195.073317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3101	0.02
2	A	3124	3037	8.04
3	A	1536	1494	0.35
4	A	1366	1328	14.25
5	A	1237	1203	0.55
6	A	1040	1011	1.31
7	A	943	917	9.21
8	A	603	586	14.86
9	A	259	252	1.22
10	A	106	103	1.35
11	B	3201	3112	0.97
12	B	3117	3030	1.42
13	B	1540	1497	13.77
14	B	1350	1313	33.37
15	B	1180	1147	0.64
16	B	892	868	14.97
17	B	633	616	17.98
18	B	398	387	8.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.689	0.957
C2	-0.322	-0.689	0.957
Cl3	-0.322	1.739	-0.496
Cl4	0.322	-1.739	-0.496
H5	0.042	1.246	1.855
H6	1.405	0.645	0.840
H7	-0.042	-1.246	1.855
H8	-1.405	-0.645	0.840

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5209	1.9045	2.8296	1.0933	1.0905	2.1645	2.1848
C2	1.5209		2.8296	1.9045	2.1645	2.1848	1.0933	1.0905
Cl3	1.9045	2.8296		3.5364	2.4300	2.4416	3.8102	2.9392
Cl4	2.8296	1.9045	3.5364		3.8102	2.9392	2.4300	2.4416
H5	1.0933	2.1645	2.4300	3.8102		1.8027	2.4939	2.5887
H6	1.0905	2.1848	2.4416	2.9392	1.8027		2.5887	3.0914
H7	2.1645	1.0933	3.8102	2.4300	2.4939	2.5887		1.8027
H8	2.1848	1.0905	2.9392	2.4416	2.5887	3.0914	1.8027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.897	C1	C2	H7	110.717
C1	C2	H8	112.527	C2	C1	Cl3	110.897
C2	C1	H5	110.717	C2	C1	H6	112.527
Cl3	C1	H5	105.065	Cl3	C1	H6	106.007
Cl4	C2	H7	105.065	Cl4	C2	H8	106.007
H5	C1	H6	111.275	H7	C2	H8	111.275

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-)