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	hartrees
Energy at 0K	-997.766097
Energy at 298.15K	-997.770890
HF Energy	-997.085501
Nuclear repulsion energy	200.551487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3145	3051
2	A	3081	2989
3	A	1455	1411
4	A	1326	1286
5	A	1215	1179
6	A	1058	1026
7	A	949	921
8	A	660	641
9	A	261	253
10	A	109	106
11	B	3155	3061
12	B	3073	2981
13	B	1448	1405
14	B	1299	1260
15	B	1147	1113
16	B	890	864
17	B	682	662
18	B	406	394

Atom	x (Å)	y (Å)	z (Å)
C1	0.306	0.697	0.903
C2	-0.306	-0.697	0.903
Cl3	-0.306	1.697	-0.474
Cl4	0.306	-1.697	-0.474
H5	0.022	1.225	1.828
H6	1.401	0.654	0.813
H7	-0.022	-1.225	1.828
H8	-1.401	-0.654	0.813

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5223	1.8095	2.7622	1.1018	1.0998	2.1575	2.1790
C2	1.5223		2.7622	1.8095	2.1575	2.1790	1.1018	1.0998
Cl3	1.8095	2.7622		3.4495	2.3729	2.3794	3.7308	2.8952
Cl4	2.7622	1.8095	3.4495		3.7308	2.8952	2.3729	2.3794
H5	1.1018	2.1575	2.3729	3.7308		1.8055	2.4500	2.5662
H6	1.0998	2.1790	2.3794	2.8952	1.8055		2.5662	3.0928
H7	2.1575	1.1018	3.7308	2.3729	2.4500	2.5662		1.8055
H8	2.1790	1.0998	2.8952	2.3794	2.5662	3.0928	1.8055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.715	C1	C2	H7	109.564
C1	C2	H8	111.393	C2	C1	Cl3	111.715
C2	C1	H5	109.564	C2	C1	H6	111.393
Cl3	C1	H5	106.645	Cl3	C1	H6	107.211
Cl4	C2	H7	106.645	Cl4	C2	H8	107.211
H5	C1	H6	110.184	H7	C2	H8	110.184

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

using model chemistry: QCISD(T)=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: QCISD(T)=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-)