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	hartrees
Energy at 0K	-998.707997
Energy at 298.15K	-998.712844
HF Energy	-998.490841
Nuclear repulsion energy	201.050422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3030	0.83
2	A	3117	2974	23.54
3	A	1489	1420	0.64
4	A	1372	1309	22.49
5	A	1246	1189	1.22
6	A	1066	1017	0.93
7	A	970	925	10.26
8	A	667	636	21.06
9	A	266	254	0.77
10	A	117	112	0.96
11	B	3188	3042	5.11
12	B	3109	2967	3.41
13	B	1484	1416	11.14
14	B	1349	1288	46.42
15	B	1179	1125	1.22
16	B	910	869	17.27
17	B	691	660	26.56
18	B	414	395	8.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.298	0.692	0.897
C2	-0.298	-0.692	0.897
Cl3	-0.298	1.706	-0.472
Cl4	0.298	-1.706	-0.472
H5	0.009	1.205	1.812
H6	1.380	0.658	0.824
H7	-0.009	-1.205	1.812
H8	-1.380	-0.658	0.824

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5070	1.8041	2.7611	1.0876	1.0852	2.1281	2.1549
C2	1.5070		2.7611	1.8041	2.1281	2.1549	1.0876	1.0852
Cl3	1.8041	2.7611		3.4632	2.3578	2.3639	3.7105	2.9049
Cl4	2.7611	1.8041	3.4632		3.7105	2.9049	2.3578	2.3639
H5	1.0876	2.1281	2.3578	3.7105		1.7761	2.4092	2.5251
H6	1.0852	2.1549	2.3639	2.9049	1.7761		2.5251	3.0577
H7	2.1281	1.0876	3.7105	2.3578	2.4092	2.5251		1.7761
H8	2.1549	1.0852	2.9049	2.3639	2.5251	3.0577	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.696	C1	C2	H7	109.142
C1	C2	H8	111.428	C2	C1	Cl3	112.696
C2	C1	H5	109.142	C2	C1	H6	111.428
Cl3	C1	H5	106.607	Cl3	C1	H6	107.164
Cl4	C2	H7	106.607	Cl4	C2	H8	107.164
H5	C1	H6	109.657	H7	C2	H8	109.657

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/TZVP

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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