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	hartrees
Energy at 0K	-997.697002
Energy at 298.15K	-997.701843
HF Energy	-997.075840
Nuclear repulsion energy	200.852741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3155	3088
2	A	3095	3029
3	A	1466	1435
4	A	1342	1313
5	A	1227	1201
6	A	1064	1041
7	A	964	944
8	A	677	663
9	A	264	259
10	A	119	117
11	B	3167	3099
12	B	3085	3019
13	B	1461	1430
14	B	1314	1286
15	B	1157	1132
16	B	899	880
17	B	702	687
18	B	411	403

Atom	x (Å)	y (Å)	z (Å)
C1	0.298	0.701	0.901
C2	-0.298	-0.701	0.901
Cl3	-0.298	1.696	-0.475
Cl4	0.298	-1.696	-0.475
H5	0.003	1.221	1.831
H6	1.398	0.664	0.836
H7	-0.003	-1.221	1.831
H8	-1.398	-0.664	0.836

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5240	1.7996	2.7642	1.1046	1.1027	2.1562	2.1781
C2	1.5240		2.7642	1.7996	2.1562	2.1781	1.1046	1.1027
Cl3	1.7996	2.7642		3.4434	2.3734	2.3792	3.7296	2.9148
Cl4	2.7642	1.7996	3.4434		3.7296	2.9148	2.3734	2.3792
H5	1.1046	2.1562	2.3734	3.7296		1.8013	2.4417	2.5504
H6	1.1027	2.1781	2.3792	2.9148	1.8013		2.5504	3.0952
H7	2.1562	1.1046	3.7296	2.3734	2.4417	2.5504		1.8013
H8	2.1781	1.1027	2.9148	2.3792	2.5504	3.0952	1.8013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.278	C1	C2	H7	109.182
C1	C2	H8	111.016	C2	C1	Cl3	112.278
C2	C1	H5	109.182	C2	C1	H6	111.016
Cl3	C1	H5	107.177	Cl3	C1	H6	107.693
Cl4	C2	H7	107.177	Cl4	C2	H8	107.693
H5	C1	H6	109.386	H7	C2	H8	109.386

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

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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