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	hartrees
Energy at 0K	-998.673191
Energy at 298.15K	-998.677996
HF Energy	-998.471019
Nuclear repulsion energy	200.753817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3174	3052	0.40
2	A	3108	2989	22.43
3	A	1458	1402	0.69
4	A	1331	1280	16.72
5	A	1223	1177	0.37
6	A	1060	1020	1.82
7	A	953	917	10.04
8	A	662	636	18.28
9	A	261	251	0.97
10	A	111	106	0.88
11	B	3185	3063	2.79
12	B	3101	2982	3.47
13	B	1452	1397	12.01
14	B	1303	1253	38.84
15	B	1153	1109	0.55
16	B	893	859	17.34
17	B	683	657	27.73
18	B	411	395	8.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.301	0.694	0.900
C2	-0.301	-0.694	0.900
Cl3	-0.301	1.703	-0.473
Cl4	0.301	-1.703	-0.473
H5	0.011	1.215	1.820
H6	1.392	0.659	0.818
H7	-0.011	-1.215	1.820
H8	-1.392	-0.659	0.818

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5132	1.8066	2.7621	1.0963	1.0940	2.1421	2.1687
C2	1.5132		2.7621	1.8066	2.1421	2.1687	1.0963	1.0940
Cl3	1.8066	2.7621		3.4589	2.3643	2.3710	3.7220	2.9043
Cl4	2.7621	1.8066	3.4589		3.7220	2.9043	2.3643	2.3710
H5	1.0963	2.1421	2.3643	3.7220		1.7937	2.4302	2.5461
H6	1.0940	2.1687	2.3710	2.9043	1.7937		2.5461	3.0796
H7	2.1421	1.0963	3.7220	2.3643	2.4302	2.5461		1.7937
H8	2.1687	1.0940	2.9043	2.3710	2.5461	3.0796	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.307	C1	C2	H7	109.302
C1	C2	H8	111.562	C2	C1	Cl3	112.307
C2	C1	H5	109.302	C2	C1	H6	111.562
Cl3	C1	H5	106.485	Cl3	C1	H6	107.080
Cl4	C2	H7	106.485	Cl4	C2	H8	107.080
H5	C1	H6	109.959	H7	C2	H8	109.959

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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