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	hartrees
Energy at 0K	-998.668596
Energy at 298.15K	-998.673433
HF Energy	-998.429050
Nuclear repulsion energy	202.067092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3180	3180	0.42
2	A	3119	3119	18.23
3	A	1488	1488	0.11
4	A	1353	1353	20.20
5	A	1239	1239	1.04
6	A	1062	1062	1.33
7	A	966	966	11.58
8	A	679	679	18.32
9	A	263	263	1.01
10	A	116	116	0.91
11	B	3193	3193	2.88
12	B	3112	3112	2.66
13	B	1486	1486	9.41
14	B	1330	1330	41.86
15	B	1173	1173	0.61
16	B	907	907	17.40
17	B	704	704	24.97
18	B	414	414	7.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.297	0.696	0.894
C2	-0.297	-0.696	0.894
Cl3	-0.297	1.691	-0.470
Cl4	0.297	-1.691	-0.470
H5	0.008	1.210	1.810
H6	1.382	0.662	0.823
H7	-0.008	-1.210	1.810
H8	-1.382	-0.662	0.823

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5126	1.7899	2.7488	1.0899	1.0877	2.1363	2.1603
C2	1.5126		2.7488	1.7899	2.1363	2.1603	1.0899	1.0877
Cl3	1.7899	2.7488		3.4334	2.3504	2.3556	3.7012	2.8961
Cl4	2.7488	1.7899	3.4334		3.7012	2.8961	2.3504	2.3556
H5	1.0899	2.1363	2.3504	3.7012		1.7783	2.4201	2.5317
H6	1.0877	2.1603	2.3556	2.8961	1.7783		2.5317	3.0646
H7	2.1363	1.0899	3.7012	2.3504	2.4201	2.5317		1.7783
H8	2.1603	1.0877	2.8961	2.3556	2.5317	3.0646	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.405	C1	C2	H7	109.260
C1	C2	H8	111.309	C2	C1	Cl3	112.405
C2	C1	H5	109.260	C2	C1	H6	111.309
Cl3	C1	H5	106.872	Cl3	C1	H6	107.365
Cl4	C2	H7	106.872	Cl4	C2	H8	107.365
H5	C1	H6	109.498	H7	C2	H8	109.498

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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: B2PLYP=FULL/6-31G(2df,p)

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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