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	hartrees
Energy at 0K	-997.624505
Energy at 298.15K	-997.629428
HF Energy	-997.033804
Nuclear repulsion energy	202.322742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3233	3031	1.99
2	A	3172	2974	24.64
3	A	1538	1442	0.01
4	A	1416	1328	23.43
5	A	1288	1207	1.08
6	A	1099	1031	0.45
7	A	1006	944	9.17
8	A	708	664	15.65
9	A	268	251	0.65
10	A	122	115	0.95
11	B	3243	3041	8.25
12	B	3164	2967	4.57
13	B	1533	1438	8.98
14	B	1395	1308	40.47
15	B	1219	1143	1.21
16	B	940	882	14.34
17	B	739	693	18.18
18	B	424	398	6.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.294	0.699	0.889
C2	-0.294	-0.699	0.889
Cl3	-0.294	1.692	-0.469
Cl4	0.294	-1.692	-0.469
H5	0.002	1.202	1.809
H6	1.378	0.662	0.832
H7	-0.002	-1.202	1.809
H8	-1.378	-0.662	0.832

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5155	1.7823	2.7494	1.0882	1.0865	2.1320	2.1562
C2	1.5155		2.7494	1.7823	2.1320	2.1562	1.0882	1.0865
Cl3	1.7823	2.7494		3.4343	2.3490	2.3550	3.6944	2.8999
Cl4	2.7494	1.7823	3.4343		3.6944	2.8999	2.3490	2.3550
H5	1.0882	2.1320	2.3490	3.6944		1.7717	2.4038	2.5170
H6	1.0865	2.1562	2.3550	2.8999	1.7717		2.5170	3.0576
H7	2.1320	1.0882	3.6944	2.3490	2.4038	2.5170		1.7717
H8	2.1562	1.0865	2.8999	2.3550	2.5170	3.0576	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.713	C1	C2	H7	108.824
C1	C2	H8	110.847	C2	C1	Cl3	112.713
C2	C1	H5	108.824	C2	C1	H6	110.847
Cl3	C1	H5	107.350	Cl3	C1	H6	107.882
Cl4	C2	H7	107.350	Cl4	C2	H8	107.882
H5	C1	H6	109.114	H7	C2	H8	109.114

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

using model chemistry: CCD/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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All results from a given calculation for CH2ClCH2Cl (Ethane, 1,2-dichloro-)

using model chemistry: CCD/6-31G**

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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