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	hartrees
Energy at 0K	-997.940186
Energy at 298.15K	-997.945030
HF Energy	-997.132182
Nuclear repulsion energy	202.335596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3145	3048
2	A	3088	2993
3	A	1476	1431
4	A	1342	1301
5	A	1228	1190
6	A	1059	1026
7	A	963	933
8	A	679	658
9	A	263	255
10	A	118	115
11	B	3157	3060
12	B	3081	2986
13	B	1473	1428
14	B	1319	1278
15	B	1164	1128
16	B	902	874
17	B	704	682
18	B	409	397

Atom	x (Å)	y (Å)	z (Å)
C1	0.298	0.696	0.900
C2	-0.298	-0.696	0.900
Cl3	-0.298	1.681	-0.473
Cl4	0.298	-1.681	-0.473
H5	0.008	1.215	1.813
H6	1.383	0.658	0.829
H7	-0.008	-1.215	1.813
H8	-1.383	-0.658	0.829

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5133	1.7913	2.7440	1.0901	1.0880	2.1394	2.1595
C2	1.5133		2.7440	1.7913	2.1394	2.1595	1.0901	1.0880
Cl3	1.7913	2.7440		3.4134	2.3529	2.3589	3.7003	2.8883
Cl4	2.7440	1.7913	3.4134		3.7003	2.8883	2.3529	2.3589
H5	1.0901	2.1394	2.3529	3.7003		1.7804	2.4295	2.5320
H6	1.0880	2.1595	2.3589	2.8883	1.7804		2.5320	3.0634
H7	2.1394	1.0901	3.7003	2.3529	2.4295	2.5320		1.7804
H8	2.1595	1.0880	2.8883	2.3589	2.5320	3.0634	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.995	C1	C2	H7	109.449
C1	C2	H8	111.174	C2	C1	Cl3	111.995
C2	C1	H5	109.449	C2	C1	H6	111.174
Cl3	C1	H5	106.960	Cl3	C1	H6	107.495
Cl4	C2	H7	106.960	Cl4	C2	H8	107.495
H5	C1	H6	109.653	H7	C2	H8	109.653

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

using model chemistry: MP4/cc-pVTZ

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-pVTZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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