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	hartrees
Energy at 0K	-997.746982
Energy at 298.15K	-997.751776
HF Energy	-997.085354
Nuclear repulsion energy	200.328240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3139	3069
2	A	3076	3007
3	A	1453	1421
4	A	1326	1296
5	A	1214	1187
6	A	1056	1033
7	A	950	929
8	A	660	645
9	A	260	254
10	A	111	109
11	B	3149	3080
12	B	3068	3000
13	B	1447	1415
14	B	1299	1271
15	B	1147	1121
16	B	890	870
17	B	682	667
18	B	406	397

Atom	x (Å)	y (Å)	z (Å)
C1	0.305	0.698	0.906
C2	-0.305	-0.698	0.906
Cl3	-0.305	1.699	-0.476
Cl4	0.305	-1.699	-0.476
H5	0.015	1.226	1.830
H6	1.401	0.659	0.821
H7	-0.015	-1.226	1.830
H8	-1.401	-0.659	0.821

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5240	1.8112	2.7668	1.1029	1.1008	2.1588	2.1819
C2	1.5240		2.7668	1.8112	2.1588	2.1819	1.1029	1.1008
Cl3	1.8112	2.7668		3.4516	2.3750	2.3817	3.7357	2.9056
Cl4	2.7668	1.8112	3.4516		3.7357	2.9056	2.3750	2.3817
H5	1.1029	2.1588	2.3750	3.7357		1.8064	2.4529	2.5648
H6	1.1008	2.1819	2.3817	2.9056	1.8064		2.5648	3.0973
H7	2.1588	1.1029	3.7357	2.3750	2.4529	2.5648		1.8064
H8	2.1819	1.1008	2.9056	2.3817	2.5648	3.0973	1.8064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.821	C1	C2	H7	109.489
C1	C2	H8	111.440	C2	C1	Cl3	111.821
C2	C1	H5	109.489	C2	C1	H6	111.440
Cl3	C1	H5	106.633	Cl3	C1	H6	107.214
Cl4	C2	H7	106.633	Cl4	C2	H8	107.214
H5	C1	H6	110.113	H7	C2	H8	110.113

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

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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