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	hartrees
Energy at 0K	-1148.966640
Energy at 298.15K	-1148.970416
HF Energy	-1148.354356
Nuclear repulsion energy	453.954336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3221	3110	16.71
2	A₁	3196	3085	6.44
3	A₁	1578	1524	2.03
4	A₁	1463	1412	40.33
5	A₁	1349	1303	0.24
6	A₁	1199	1158	0.08
7	A₁	1122	1083	20.55
8	A₁	1023	987	9.39
9	A₁	651	629	10.89
10	A₁	441	425	6.06
11	A₁	187	181	0.01
12	A₂	871	841	0.00
13	A₂	779	751	0.00
14	A₂	614	593	0.00
15	A₂	473	456	0.00
16	A₂	122	118	0.00
17	B₁	840	811	0.12
18	B₁	719	694	102.43
19	B₁	421	407	8.12
20	B₁	212	205	1.96
21	B₂	3211	3099	9.87
22	B₂	3180	3070	1.40
23	B₂	1579	1524	6.80
24	B₂	1442	1392	13.45
25	B₂	1286	1241	1.72
26	B₂	1137	1097	0.37
27	B₂	1029	993	35.47
28	B₂	720	695	16.54
29	B₂	404	390	0.65
30	B₂	319	307	0.09

Atom	y (Å)	z (Å)
C1	0.711	-0.007
C2	-0.711	-0.007
C3	1.425	1.225
C4	-1.425	1.225
C5	0.712	2.456
C6	-0.712	2.456
Cl7	1.675	-1.568
Cl8	-1.675	-1.568
H9	2.517	1.211
H10	-2.517	1.211
H11	1.265	3.399
H12	-1.265	3.399

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4223	1.4236	2.4658	2.4624	2.8441	1.8349	2.8515	2.1785	3.4507	3.4504	3.9375
C2	1.4223		2.4658	1.4236	2.8441	2.4624	2.8515	1.8349	3.4507	2.1785	3.9375	3.4504
C3	1.4236	2.4658		2.8499	1.4223	2.4660	2.8043	4.1725	1.0926	3.9425	2.1798	3.4587
C4	2.4658	1.4236	2.8499		2.4660	1.4223	4.1725	2.8043	3.9425	1.0926	3.4587	2.1798
C5	2.4624	2.8441	1.4223	2.4660		1.4241	4.1375	4.6785	2.1929	3.4611	1.0934	2.1907
C6	2.8441	2.4624	2.4660	1.4223	1.4241		4.6785	4.1375	3.4611	2.1929	2.1907	1.0934
Cl7	1.8349	2.8515	2.8043	4.1725	4.1375	4.6785		3.3495	2.9042	5.0298	4.9839	5.7719
Cl8	2.8515	1.8349	4.1725	2.8043	4.6785	4.1375	3.3495		5.0298	2.9042	5.7719	4.9839
H9	2.1785	3.4507	1.0926	3.9425	2.1929	3.4611	2.9042	5.0298		5.0350	2.5209	4.3698
H10	3.4507	2.1785	3.9425	1.0926	3.4611	2.1929	5.0298	2.9042	5.0350		4.3698	2.5209
H11	3.4504	3.9375	2.1798	3.4587	1.0934	2.1907	4.9839	5.7719	2.5209	4.3698		2.5304
H12	3.9375	3.4504	3.4587	2.1798	2.1907	1.0934	5.7719	4.9839	4.3698	2.5209	2.5304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.092	C1	C2	Cl8	121.679
C1	C3	C5	119.826	C1	C3	H9	119.360
C2	C1	C3	120.092	C2	C1	Cl7	121.679
C2	C4	C6	119.826	C2	C4	H10	119.360
C3	C1	Cl7	118.229	C3	C5	C6	120.082
C3	C5	H11	119.526	C4	C2	Cl8	118.229
C4	C6	C5	120.082	C4	C6	H12	119.526
C5	C3	H9	120.815	C5	C6	H12	120.392
C6	C4	H10	120.815	C6	C5	H11	120.392

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)

using model chemistry: MP2/SDD

States and conformations

	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 C6H4Cl2 (1,2-dichlorobenzene)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)