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	hartrees
Energy at 0K	-997.903296
Energy at 298.15K	-997.908186
HF Energy	-997.132395
Nuclear repulsion energy	202.638066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	2964	1.10
2	A	3121	2914	22.53
3	A	1499	1399	0.29
4	A	1370	1280	16.53
5	A	1253	1170	0.58
6	A	1077	1006	1.23
7	A	980	915	9.39
8	A	696	650	15.24
9	A	265	247	0.75
10	A	118	110	0.86
11	B	3187	2976	4.65
12	B	3113	2906	3.40
13	B	1496	1397	10.11
14	B	1347	1258	35.00
15	B	1187	1108	0.68
16	B	920	859	14.65
17	B	723	675	19.85
18	B	417	389	6.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.297	0.695	0.892
C2	-0.297	-0.695	0.892
Cl3	-0.297	1.685	-0.469
Cl4	0.297	-1.685	-0.469
H5	0.011	1.208	1.807
H6	1.379	0.658	0.821
H7	-0.011	-1.208	1.807
H8	-1.379	-0.658	0.821

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5115	1.7844	2.7412	1.0873	1.0854	2.1340	2.1553
C2	1.5115		2.7412	1.7844	2.1340	2.1553	1.0873	1.0854
Cl3	1.7844	2.7412		3.4210	2.3455	2.3513	3.6918	2.8848
Cl4	2.7412	1.7844	3.4210		3.6918	2.8848	2.3455	2.3513
H5	1.0873	2.1340	2.3455	3.6918		1.7740	2.4165	2.5274
H6	1.0854	2.1553	2.3513	2.8848	1.7740		2.5274	3.0565
H7	2.1340	1.0873	3.6918	2.3455	2.4165	2.5274		1.7740
H8	2.1553	1.0854	2.8848	2.3513	2.5274	3.0565	1.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.279	C1	C2	H7	109.312
C1	C2	H8	111.124	C2	C1	Cl3	112.279
C2	C1	H5	109.312	C2	C1	H6	111.124
Cl3	C1	H5	107.008	Cl3	C1	H6	107.525
Cl4	C2	H7	107.008	Cl4	C2	H8	107.525
H5	C1	H6	109.474	H7	C2	H8	109.474

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

using model chemistry: CCD/cc-pVTZ

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/cc-pVTZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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