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	hartrees
Energy at 0K	-998.704800
Energy at 298.15K	-998.709654
HF Energy	-998.482669
Nuclear repulsion energy	201.463931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	3175	1.27
2	A	3118	3118	28.16
3	A	1501	1501	0.70
4	A	1385	1385	22.90
5	A	1265	1265	2.12
6	A	1073	1073	0.26
7	A	977	977	13.55
8	A	671	671	20.90
9	A	266	266	0.89
10	A	120	120	0.87
11	B	3188	3188	7.86
12	B	3110	3110	4.43
13	B	1497	1497	11.53
14	B	1364	1364	41.72
15	B	1199	1199	3.11
16	B	919	919	23.45
17	B	696	696	29.04
18	B	416	416	7.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.297	0.694	0.895
C2	-0.297	-0.694	0.895
Cl3	-0.297	1.700	-0.471
Cl4	0.297	-1.700	-0.471
H5	0.009	1.207	1.812
H6	1.381	0.662	0.824
H7	-0.009	-1.207	1.812
H8	-1.381	-0.662	0.824

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5106	1.7972	2.7564	1.0895	1.0871	2.1334	2.1591
C2	1.5106		2.7564	1.7972	2.1334	2.1591	1.0895	1.0871
Cl3	1.7972	2.7564		3.4509	2.3553	2.3605	3.7076	2.9033
Cl4	2.7564	1.7972	3.4509		3.7076	2.9033	2.3553	2.3605
H5	1.0895	2.1334	2.3553	3.7076		1.7770	2.4150	2.5302
H6	1.0871	2.1591	2.3605	2.9033	1.7770		2.5302	3.0634
H7	2.1334	1.0895	3.7076	2.3553	2.4150	2.5302		1.7770
H8	2.1591	1.0871	2.9033	2.3605	2.5302	3.0634	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.592	C1	C2	H7	109.197
C1	C2	H8	111.388	C2	C1	Cl3	112.592
C2	C1	H5	109.197	C2	C1	H6	111.388
Cl3	C1	H5	106.783	Cl3	C1	H6	107.276
Cl4	C2	H7	106.783	Cl4	C2	H8	107.276
H5	C1	H6	109.461	H7	C2	H8	109.461

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

using model chemistry: B2PLYP=FULL/6-311G*

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/6-311G*

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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