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	hartrees
Energy at 0K	-997.696176
Energy at 298.15K	-997.701049
HF Energy	-997.076165
Nuclear repulsion energy	201.311470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3180	3180	1.71
2	A	3120	3120	26.28
3	A	1480	1480	0.26
4	A	1359	1359	20.99
5	A	1243	1243	0.92
6	A	1077	1077	1.22
7	A	975	975	8.76
8	A	689	689	16.68
9	A	266	266	0.65
10	A	120	120	0.84
11	B	3190	3190	7.45
12	B	3110	3110	4.62
13	B	1475	1475	7.76
14	B	1331	1331	38.55
15	B	1171	1171	0.91
16	B	910	910	14.21
17	B	715	715	20.74
18	B	417	417	6.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.297	0.700	0.897
C2	-0.297	-0.700	0.897
Cl3	-0.297	1.694	-0.473
Cl4	0.297	-1.694	-0.473
H5	0.005	1.217	1.825
H6	1.395	0.663	0.832
H7	-0.005	-1.217	1.825
H8	-1.395	-0.663	0.832

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5208	1.7938	2.7582	1.1019	1.1001	2.1509	2.1734
C2	1.5208		2.7582	1.7938	2.1509	2.1734	1.1019	1.1001
Cl3	1.7938	2.7582		3.4400	2.3664	2.3724	3.7201	2.9090
Cl4	2.7582	1.7938	3.4400		3.7201	2.9090	2.3664	2.3724
H5	1.1019	2.1509	2.3664	3.7201		1.7960	2.4334	2.5451
H6	1.1001	2.1734	2.3724	2.9090	1.7960		2.5451	3.0884
H7	2.1509	1.1019	3.7201	2.3664	2.4334	2.5451		1.7960
H8	2.1734	1.1001	2.9090	2.3724	2.5451	3.0884	1.7960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.376	C1	C2	H7	109.146
C1	C2	H8	111.027	C2	C1	Cl3	112.376
C2	C1	H5	109.146	C2	C1	H6	111.027
Cl3	C1	H5	107.182	Cl3	C1	H6	107.704
Cl4	C2	H7	107.182	Cl4	C2	H8	107.704
H5	C1	H6	109.293	H7	C2	H8	109.293

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

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

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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