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	hartrees
Energy at 0K	-997.879206
Energy at 298.15K	-997.884117
HF Energy	-997.098145
Nuclear repulsion energy	202.250688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3159	3038
2	A	3102	2983
3	A	1480	1423
4	A	1387	1333
5	A	1257	1209
6	A	1079	1038
7	A	986	948
8	A	694	667
9	A	271	260
10	A	127	122
11	B	3171	3049
12	B	3094	2975
13	B	1473	1416
14	B	1365	1312
15	B	1195	1149
16	B	920	885
17	B	720	693
18	B	419	403

Atom	x (Å)	y (Å)	z (Å)
C1	0.296	0.699	0.896
C2	-0.296	-0.699	0.896
Cl3	-0.296	1.683	-0.472
Cl4	0.296	-1.683	-0.472
H5	-0.000	1.209	1.818
H6	1.386	0.659	0.833
H7	0.000	-1.209	1.818
H8	-1.386	-0.659	0.833

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5176	1.7870	2.7471	1.0943	1.0922	2.1391	2.1623
C2	1.5176		2.7471	1.7870	2.1391	2.1623	1.0943	1.0922
Cl3	1.7870	2.7471		3.4181	2.3575	2.3624	3.7011	2.8942
Cl4	2.7471	1.7870	3.4181		3.7011	2.8942	2.3575	2.3624
H5	1.0943	2.1391	2.3575	3.7011		1.7873	2.4179	2.5256
H6	1.0922	2.1623	2.3624	2.8942	1.7873		2.5256	3.0688
H7	2.1391	1.0943	3.7011	2.3575	2.4179	2.5256		1.7873
H8	2.1623	1.0922	2.8942	2.3624	2.5256	3.0688	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.210	C1	C2	H7	108.882
C1	C2	H8	110.839	C2	C1	Cl3	112.210
C2	C1	H5	108.882	C2	C1	H6	110.839
Cl3	C1	H5	107.360	Cl3	C1	H6	107.819
Cl4	C2	H7	107.360	Cl4	C2	H8	107.819
H5	C1	H6	109.648	H7	C2	H8	109.648

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

using model chemistry: MP4=FULL/6-311G**

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=FULL/6-311G**

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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