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	hartrees
Energy at 0K	-997.744051
Energy at 298.15K	-997.748883
HF Energy	-997.085816
Nuclear repulsion energy	200.929389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3167	3167	0.90
2	A	3105	3105	24.45
3	A	1470	1470	0.25
4	A	1345	1345	16.98
5	A	1233	1233	0.27
6	A	1072	1072	1.34
7	A	962	962	8.38
8	A	674	674	16.36
9	A	263	263	0.83
10	A	111	111	0.89
11	B	3178	3178	4.09
12	B	3097	3097	3.70
13	B	1464	1464	9.85
14	B	1318	1318	38.17
15	B	1162	1162	0.56
16	B	903	903	14.30
17	B	697	697	23.22
18	B	412	412	7.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.305	0.696	0.899
C2	-0.305	-0.696	0.899
Cl3	-0.305	1.697	-0.472
Cl4	0.305	-1.697	-0.472
H5	0.020	1.221	1.823
H6	1.398	0.655	0.813
H7	-0.020	-1.221	1.823
H8	-1.398	-0.655	0.813

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5201	1.8036	2.7583	1.0998	1.0977	2.1528	2.1751
C2	1.5201		2.7583	1.8036	2.1528	2.1751	1.0998	1.0977
Cl3	1.8036	2.7583		3.4477	2.3668	2.3740	3.7232	2.8941
Cl4	2.7583	1.8036	3.4477		3.7232	2.8941	2.3668	2.3740
H5	1.0998	2.1528	2.3668	3.7232		1.8000	2.4418	2.5592
H6	1.0977	2.1751	2.3740	2.8941	1.8000		2.5592	3.0873
H7	2.1528	1.0998	3.7232	2.3668	2.4418	2.5592		1.8000
H8	2.1751	1.0977	2.8941	2.3740	2.5592	3.0873	1.8000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.895	C1	C2	H7	109.469
C1	C2	H8	111.358	C2	C1	Cl3	111.895
C2	C1	H5	109.469	C2	C1	H6	111.358
Cl3	C1	H5	106.691	Cl3	C1	H6	107.309
Cl4	C2	H7	106.691	Cl4	C2	H8	107.309
H5	C1	H6	109.992	H7	C2	H8	109.992

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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: CCSD=FULL/aug-cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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