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	hartrees
Energy at 0K	-997.749077
Energy at 298.15K	-997.753949
HF Energy	-997.103428
Nuclear repulsion energy	201.195216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3167	3051
2	A	3107	2993
3	A	1485	1430
4	A	1383	1332
5	A	1244	1198
6	A	1072	1032
7	A	976	940
8	A	675	651
9	A	270	260
10	A	122	117
11	B	3179	3062
12	B	3098	2984
13	B	1478	1424
14	B	1360	1310
15	B	1179	1136
16	B	913	880
17	B	701	675
18	B	415	399

Atom	x (Å)	y (Å)	z (Å)
C1	0.299	0.695	0.899
C2	-0.299	-0.695	0.899
Cl3	-0.299	1.699	-0.473
Cl4	0.299	-1.699	-0.473
H5	0.007	1.206	1.818
H6	1.384	0.655	0.827
H7	-0.007	-1.206	1.818
H8	-1.384	-0.655	0.827

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5131	1.8020	2.7593	1.0907	1.0885	2.1333	2.1588
C2	1.5131		2.7593	1.8020	2.1333	2.1588	1.0907	1.0885
Cl3	1.8020	2.7593		3.4494	2.3630	2.3687	3.7108	2.9000
Cl4	2.7593	1.8020	3.4494		3.7108	2.9000	2.3630	2.3687
H5	1.0907	2.1333	2.3630	3.7108		1.7836	2.4120	2.5258
H6	1.0885	2.1588	2.3687	2.9000	1.7836		2.5258	3.0627
H7	2.1333	1.0907	3.7108	2.3630	2.4120	2.5258		1.7836
H8	2.1588	1.0885	2.9000	2.3687	2.5258	3.0627	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.383	C1	C2	H7	108.947
C1	C2	H8	111.103	C2	C1	Cl3	112.383
C2	C1	H5	108.947	C2	C1	H6	111.103
Cl3	C1	H5	106.962	Cl3	C1	H6	107.486
Cl4	C2	H7	106.962	Cl4	C2	H8	107.486
H5	C1	H6	109.858	H7	C2	H8	109.858

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

using model chemistry: QCISD(T)/TZVP

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)/TZVP

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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