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	hartrees
Energy at 0K	-997.748245
Energy at 298.15K	-997.753123
HF Energy	-997.103430
Nuclear repulsion energy	201.301459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3170	3053
2	A	3108	2993
3	A	1484	1429
4	A	1384	1332
5	A	1245	1198
6	A	1072	1032
7	A	978	941
8	A	678	653
9	A	270	260
10	A	122	118
11	B	3183	3065
12	B	3101	2985
13	B	1478	1423
14	B	1362	1311
15	B	1180	1136
16	B	914	880
17	B	705	678
18	B	415	400

Atom	x (Å)	y (Å)	z (Å)
C1	0.298	0.695	0.899
C2	-0.298	-0.695	0.899
Cl3	-0.298	1.697	-0.473
Cl4	0.298	-1.697	-0.473
H5	0.004	1.205	1.818
H6	1.383	0.656	0.830
H7	-0.004	-1.205	1.818
H8	-1.383	-0.656	0.830

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5126	1.8007	2.7583	1.0908	1.0886	2.1325	2.1580
C2	1.5126		2.7583	1.8007	2.1325	2.1580	1.0908	1.0886
Cl3	1.8007	2.7583		3.4465	2.3626	2.3680	3.7096	2.9007
Cl4	2.7583	1.8007	3.4465		3.7096	2.9007	2.3626	2.3680
H5	1.0908	2.1325	2.3626	3.7096		1.7832	2.4110	2.5235
H6	1.0886	2.1580	2.3680	2.9007	1.7832		2.5235	3.0621
H7	2.1325	1.0908	3.7096	2.3626	2.4110	2.5235		1.7832
H8	2.1580	1.0886	2.9007	2.3680	2.5235	3.0621	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.422	C1	C2	H7	108.914
C1	C2	H8	111.064	C2	C1	Cl3	112.422
C2	C1	H5	108.914	C2	C1	H6	111.064
Cl3	C1	H5	107.013	Cl3	C1	H6	107.517
Cl4	C2	H7	107.013	Cl4	C2	H8	107.517
H5	C1	H6	109.812	H7	C2	H8	109.812

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

using model chemistry: MP4/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: MP4/TZVP

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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