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	hartrees
Energy at 0K	-997.718981
Energy at 298.15K	-997.723924
HF Energy	-997.098270
Nuclear repulsion energy	202.482171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3178	3036	2.24
2	A	3123	2983	27.37
3	A	1498	1431	0.02
4	A	1406	1343	21.83
5	A	1275	1218	1.73
6	A	1092	1043	0.33
7	A	998	954	9.64
8	A	709	677	16.23
9	A	272	260	0.63
10	A	127	121	0.76
11	B	3190	3047	8.78
12	B	3115	2975	4.83
13	B	1491	1424	7.83
14	B	1384	1322	39.90
15	B	1211	1157	2.79
16	B	934	893	17.37
17	B	737	704	19.58
18	B	425	406	5.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.296	0.699	0.891
C2	-0.296	-0.699	0.891
Cl3	-0.296	1.685	-0.470
Cl4	0.296	-1.685	-0.470
H5	0.005	1.206	1.813
H6	1.384	0.659	0.826
H7	-0.005	-1.206	1.813
H8	-1.384	-0.659	0.826

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5177	1.7820	2.7448	1.0925	1.0905	2.1379	2.1609
C2	1.5177		2.7448	1.7820	2.1379	2.1609	1.0925	1.0905
Cl3	1.7820	2.7448		3.4219	2.3519	2.3567	3.6957	2.8904
Cl4	2.7448	1.7820	3.4219		3.6957	2.8904	2.3519	2.3567
H5	1.0925	2.1379	2.3519	3.6957		1.7828	2.4129	2.5263
H6	1.0905	2.1609	2.3567	2.8904	1.7828		2.5263	3.0654
H7	2.1379	1.0925	3.6957	2.3519	2.4129	2.5263		1.7828
H8	2.1609	1.0905	2.8904	2.3567	2.5263	3.0654	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.329	C1	C2	H7	108.888
C1	C2	H8	110.827	C2	C1	Cl3	112.329
C2	C1	H5	108.888	C2	C1	H6	110.827
Cl3	C1	H5	107.374	Cl3	C1	H6	107.826
Cl4	C2	H7	107.374	Cl4	C2	H8	107.826
H5	C1	H6	109.510	H7	C2	H8	109.510

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

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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