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	hartrees
Energy at 0K	-997.772310
Energy at 298.15K	-997.777237
HF Energy	-997.103559
Nuclear repulsion energy	202.535449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3207	3055	1.26
2	A	3140	2992	23.28
3	A	1491	1421	0.28
4	A	1395	1329	22.30
5	A	1262	1202	1.36
6	A	1087	1036	0.72
7	A	991	944	8.44
8	A	701	667	16.93
9	A	274	261	0.62
10	A	125	119	0.84
11	B	3218	3066	4.81
12	B	3134	2986	4.09
13	B	1486	1416	10.53
14	B	1373	1308	42.34
15	B	1197	1140	1.39
16	B	927	883	15.31
17	B	727	692	18.64
18	B	423	403	7.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.295	0.693	0.894
C2	-0.295	-0.693	0.894
Cl3	-0.295	1.685	-0.471
Cl4	0.295	-1.685	-0.471
H5	0.003	1.201	1.810
H6	1.378	0.654	0.827
H7	-0.003	-1.201	1.810
H8	-1.378	-0.654	0.827

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5061	1.7879	2.7422	1.0876	1.0856	2.1248	2.1485
C2	1.5061		2.7422	1.7879	2.1248	2.1485	1.0876	1.0856
Cl3	1.7879	2.7422		3.4217	2.3510	2.3551	3.6906	2.8860
Cl4	2.7422	1.7879	3.4217		3.6906	2.8860	2.3510	2.3551
H5	1.0876	2.1248	2.3510	3.6906		1.7769	2.4021	2.5125
H6	1.0856	2.1485	2.3551	2.8860	1.7769		2.5125	3.0500
H7	2.1248	1.0876	3.6906	2.3510	2.4021	2.5125		1.7769
H8	2.1485	1.0856	2.8860	2.3551	2.5125	3.0500	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.427	C1	C2	H7	108.943
C1	C2	H8	110.946	C2	C1	Cl3	112.427
C2	C1	H5	108.943	C2	C1	H6	110.946
Cl3	C1	H5	107.170	Cl3	C1	H6	107.563
Cl4	C2	H7	107.170	Cl4	C2	H8	107.563
H5	C1	H6	109.697	H7	C2	H8	109.697

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

using model chemistry: MP2=FULL/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: MP2=FULL/TZVP

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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