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	hartrees
Energy at 0K	-998.037001
Energy at 298.15K	-998.041874
HF Energy	-997.132422
Nuclear repulsion energy	203.050381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3147	3014
2	A	3113	2982
3	A	1493	1430
4	A	1355	1298
5	A	1242	1190
6	A	1071	1026
7	A	973	932
8	A	685	656
9	A	266	255
10	A	122	117
11	B	3160	3028
12	B	3104	2973
13	B	1489	1426
14	B	1331	1275
15	B	1176	1126
16	B	907	869
17	B	708	679
18	B	413	395

Atom	x (Å)	y (Å)	z (Å)
C1	0.296	0.693	0.898
C2	-0.296	-0.693	0.898
Cl3	-0.296	1.674	-0.472
Cl4	0.296	-1.674	-0.472
H5	0.005	1.210	1.806
H6	1.376	0.655	0.828
H7	-0.005	-1.210	1.806
H8	-1.376	-0.655	0.828

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5067	1.7861	2.7347	1.0850	1.0832	2.1297	2.1488
C2	1.5067		2.7347	1.7861	2.1297	2.1488	1.0850	1.0832
Cl3	1.7861	2.7347		3.4006	2.3446	2.3511	3.6867	2.8777
Cl4	2.7347	1.7861	3.4006		3.6867	2.8777	2.3446	2.3511
H5	1.0850	2.1297	2.3446	3.6867		1.7732	2.4193	2.5182
H6	1.0832	2.1488	2.3511	2.8777	1.7732		2.5182	3.0483
H7	2.1297	1.0850	3.6867	2.3446	2.4193	2.5182		1.7732
H8	2.1488	1.0832	2.8777	2.3511	2.5182	3.0483	1.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.022	C1	C2	H7	109.434
C1	C2	H8	111.081	C2	C1	Cl3	112.022
C2	C1	H5	109.434	C2	C1	H6	111.081
Cl3	C1	H5	106.946	Cl3	C1	H6	107.514
Cl4	C2	H7	106.946	Cl4	C2	H8	107.514
H5	C1	H6	109.734	H7	C2	H8	109.734

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVTZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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