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	hartrees
Energy at 0K	-997.724995
Energy at 298.15K	-997.729915
HF Energy	-997.103683
Nuclear repulsion energy	201.811747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3218	3009	1.76
2	A	3159	2955	23.97
3	A	1505	1407	0.24
4	A	1407	1316	23.02
5	A	1267	1185	1.08
6	A	1091	1020	0.65
7	A	992	928	7.93
8	A	695	650	17.89
9	A	273	255	0.61
10	A	123	115	0.95
11	B	3230	3020	6.77
12	B	3151	2947	3.95
13	B	1498	1401	9.04
14	B	1383	1294	46.45
15	B	1200	1123	1.27
16	B	930	869	13.78
17	B	723	676	20.32
18	B	422	395	7.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.298	0.694	0.893
C2	-0.298	-0.694	0.893
Cl3	-0.298	1.697	-0.470
Cl4	0.298	-1.697	-0.470
H5	0.010	1.201	1.810
H6	1.379	0.653	0.821
H7	-0.010	-1.201	1.810
H8	-1.379	-0.653	0.821

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5098	1.7941	2.7517	1.0867	1.0847	2.1270	2.1522
C2	1.5098		2.7517	1.7941	2.1270	2.1522	1.0867	1.0847
Cl3	1.7941	2.7517		3.4449	2.3541	2.3597	3.6982	2.8911
Cl4	2.7517	1.7941	3.4449		3.6982	2.8911	2.3541	2.3597
H5	1.0867	2.1270	2.3541	3.6982		1.7757	2.4012	2.5191
H6	1.0847	2.1522	2.3597	2.8911	1.7757		2.5191	3.0524
H7	2.1270	1.0867	3.6982	2.3541	2.4012	2.5191		1.7757
H8	2.1522	1.0847	2.8911	2.3597	2.5191	3.0524	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.504	C1	C2	H7	108.914
C1	C2	H8	111.037	C2	C1	Cl3	112.504
C2	C1	H5	108.914	C2	C1	H6	111.037
Cl3	C1	H5	107.028	Cl3	C1	H6	107.534
Cl4	C2	H7	107.028	Cl4	C2	H8	107.534
H5	C1	H6	109.722	H7	C2	H8	109.722

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

using model chemistry: MP3/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: MP3/TZVP

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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