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	hartrees
Energy at 0K	-997.681489
Energy at 298.15K	-997.686354
HF Energy	-997.076041
Nuclear repulsion energy	201.079655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3043	1.80
2	A	3112	2986	26.91
3	A	1478	1418	0.22
4	A	1356	1301	21.30
5	A	1240	1190	0.97
6	A	1074	1030	1.21
7	A	973	934	8.85
8	A	686	658	17.12
9	A	265	255	0.65
10	A	120	115	0.84
11	B	3182	3053	7.90
12	B	3102	2976	4.75
13	B	1472	1413	7.54
14	B	1328	1274	39.17
15	B	1168	1121	0.91
16	B	909	872	14.19
17	B	712	683	21.34
18	B	416	399	6.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.297	0.701	0.898
C2	-0.297	-0.701	0.898
Cl3	-0.297	1.696	-0.473
Cl4	0.297	-1.696	-0.473
H5	0.004	1.218	1.827
H6	1.396	0.664	0.833
H7	-0.004	-1.218	1.827
H8	-1.396	-0.664	0.833

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5224	1.7961	2.7614	1.1031	1.1013	2.1530	2.1759
C2	1.5224		2.7614	1.7961	2.1530	2.1759	1.1031	1.1013
Cl3	1.7961	2.7614		3.4439	2.3691	2.3750	3.7243	2.9124
Cl4	2.7614	1.7961	3.4439		3.7243	2.9124	2.3691	2.3750
H5	1.1031	2.1530	2.3691	3.7243		1.7982	2.4360	2.5477
H6	1.1013	2.1759	2.3750	2.9124	1.7982		2.5477	3.0919
H7	2.1530	1.1031	3.7243	2.3691	2.4360	2.5477		1.7982
H8	2.1759	1.1013	2.9124	2.3750	2.5477	3.0919	1.7982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.375	C1	C2	H7	109.135
C1	C2	H8	111.040	C2	C1	Cl3	112.375
C2	C1	H5	109.135	C2	C1	H6	111.040
Cl3	C1	H5	107.169	Cl3	C1	H6	107.685
Cl4	C2	H7	107.169	Cl4	C2	H8	107.685
H5	C1	H6	109.324	H7	C2	H8	109.324

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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