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	hartrees
Energy at 0K	-997.691716
Energy at 298.15K	-997.696604
HF Energy	-997.076301
Nuclear repulsion energy	201.493322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3014	1.58
2	A	3146	2958	23.56
3	A	1485	1396	0.35
4	A	1365	1283	20.25
5	A	1248	1174	0.89
6	A	1081	1017	1.25
7	A	979	920	8.81
8	A	696	655	15.78
9	A	267	251	0.67
10	A	120	113	0.86
11	B	3217	3025	6.59
12	B	3136	2949	4.20
13	B	1480	1391	8.25
14	B	1337	1257	37.45
15	B	1176	1106	0.92
16	B	914	860	14.55
17	B	723	680	19.46
18	B	419	394	6.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.297	0.700	0.896
C2	-0.297	-0.700	0.896
Cl3	-0.297	1.693	-0.472
Cl4	0.297	-1.693	-0.472
H5	0.004	1.215	1.823
H6	1.392	0.663	0.832
H7	-0.004	-1.215	1.823
H8	-1.392	-0.663	0.832

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5204	1.7919	2.7566	1.1001	1.0984	2.1490	2.1712
C2	1.5204		2.7566	1.7919	2.1490	2.1712	1.1001	1.0984
Cl3	1.7919	2.7566		3.4372	2.3638	2.3694	3.7166	2.9072
Cl4	2.7566	1.7919	3.4372		3.7166	2.9072	2.3638	2.3694
H5	1.1001	2.1490	2.3638	3.7166		1.7931	2.4310	2.5418
H6	1.0984	2.1712	2.3694	2.9072	1.7931		2.5418	3.0842
H7	2.1490	1.1001	3.7166	2.3638	2.4310	2.5418		1.7931
H8	2.1712	1.0984	2.9072	2.3694	2.5418	3.0842	1.7931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.402	C1	C2	H7	109.132
C1	C2	H8	110.980	C2	C1	Cl3	112.402
C2	C1	H5	109.132	C2	C1	H6	110.980
Cl3	C1	H5	107.210	Cl3	C1	H6	107.703
Cl4	C2	H7	107.210	Cl4	C2	H8	107.703
H5	C1	H6	109.302	H7	C2	H8	109.302

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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