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	hartrees
Energy at 0K	-998.784563
Energy at 298.15K	-998.789401
HF Energy	-998.518036
Nuclear repulsion energy	202.115425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3158	3018	0.56
2	A	3108	2971	23.15
3	A	1488	1422	0.46
4	A	1351	1291	16.83
5	A	1238	1184	0.72
6	A	1061	1014	1.39
7	A	965	922	11.01
8	A	670	640	17.77
9	A	262	251	0.89
10	A	116	110	0.85
11	B	3172	3031	4.49
12	B	3100	2963	3.10
13	B	1486	1421	11.67
14	B	1329	1270	36.80
15	B	1173	1122	0.67
16	B	905	865	16.67
17	B	694	663	25.33
18	B	412	394	7.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.297	0.692	0.895
C2	-0.297	-0.692	0.895
Cl3	-0.297	1.692	-0.470
Cl4	0.297	-1.692	-0.470
H5	0.009	1.207	1.806
H6	1.377	0.659	0.822
H7	-0.009	-1.207	1.806
H8	-1.377	-0.659	0.822

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5064	1.7929	2.7473	1.0859	1.0837	2.1292	2.1525
C2	1.5064		2.7473	1.7929	2.1292	2.1525	1.0859	1.0837
Cl3	1.7929	2.7473		3.4351	2.3477	2.3536	3.6975	2.8920
Cl4	2.7473	1.7929	3.4351		3.6975	2.8920	2.3477	2.3536
H5	1.0859	2.1292	2.3477	3.6975		1.7728	2.4149	2.5245
H6	1.0837	2.1525	2.3536	2.8920	1.7728		2.5245	3.0537
H7	2.1292	1.0859	3.6975	2.3477	2.4149	2.5245		1.7728
H8	2.1525	1.0837	2.8920	2.3536	2.5245	3.0537	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.459	C1	C2	H7	109.364
C1	C2	H8	111.373	C2	C1	Cl3	112.459
C2	C1	H5	109.364	C2	C1	H6	111.373
Cl3	C1	H5	106.682	Cl3	C1	H6	107.226
Cl4	C2	H7	106.682	Cl4	C2	H8	107.226
H5	C1	H6	109.593	H7	C2	H8	109.593

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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: B2PLYP=FULL/cc-pVTZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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