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	hartrees
Energy at 0K	-997.696277
Energy at 298.15K	-997.701124
HF Energy	-997.075835
Nuclear repulsion energy	200.954147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3158	3054
2	A	3095	2993
3	A	1466	1418
4	A	1342	1298
5	A	1227	1187
6	A	1064	1029
7	A	966	934
8	A	681	658
9	A	264	256
10	A	120	116
11	B	3169	3064
12	B	3087	2984
13	B	1462	1413
14	B	1315	1272
15	B	1158	1119
16	B	900	870
17	B	706	682
18	B	412	398

Atom	x (Å)	y (Å)	z (Å)
C1	0.297	0.702	0.902
C2	-0.297	-0.702	0.902
Cl3	-0.297	1.694	-0.475
Cl4	0.297	-1.694	-0.475
H5	0.000	1.221	1.831
H6	1.397	0.665	0.840
H7	-0.000	-1.221	1.831
H8	-1.397	-0.665	0.840

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5238	1.7983	2.7635	1.1048	1.1029	2.1557	2.1775
C2	1.5238		2.7635	1.7983	2.1557	2.1775	1.1048	1.1029
Cl3	1.7983	2.7635		3.4399	2.3732	2.3786	3.7287	2.9164
Cl4	2.7635	1.7983	3.4399		3.7287	2.9164	2.3732	2.3786
H5	1.1048	2.1557	2.3732	3.7287		1.8009	2.4413	2.5479
H6	1.1029	2.1775	2.3786	2.9164	1.8009		2.5479	3.0949
H7	2.1557	1.1048	3.7287	2.3732	2.4413	2.5479		1.8009
H8	2.1775	1.1029	2.9164	2.3786	2.5479	3.0949	1.8009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.319	C1	C2	H7	109.153
C1	C2	H8	110.971	C2	C1	Cl3	112.319
C2	C1	H5	109.153	C2	C1	H6	110.971
Cl3	C1	H5	107.242	Cl3	C1	H6	107.727
Cl4	C2	H7	107.242	Cl4	C2	H8	107.727
H5	C1	H6	109.322	H7	C2	H8	109.322

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

using model chemistry: MP4/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: MP4/cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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