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	hartrees
Energy at 0K	-1151.426548
Energy at 298.15K	-1151.430858
HF Energy	-1151.426548
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3096	4.24
2	A₁	3221	3081	5.70
3	A₁	1646	1575	4.38
4	A₁	1507	1441	68.59
5	A₁	1311	1254	0.78
6	A₁	1195	1143	2.96
7	A₁	1164	1113	43.37
8	A₁	1071	1024	7.74
9	A₁	679	649	16.95
10	A₁	489	468	7.19
11	A₁	212	203	0.03
12	A₂	1013	969	0.00
13	A₂	875	837	0.00
14	A₂	721	690	0.00
15	A₂	529	506	0.00
16	A₂	136	130	0.00
17	B₁	971	929	1.05
18	B₁	769	736	69.12
19	B₁	452	432	9.16
20	B₁	239	228	1.93
21	B₂	3232	3091	2.92
22	B₂	3208	3069	1.09
23	B₂	1656	1584	8.38
24	B₂	1478	1414	22.78
25	B₂	1282	1226	2.83
26	B₂	1164	1114	1.87
27	B₂	1053	1007	41.31
28	B₂	758	725	20.43
29	B₂	434	415	0.35
30	B₂	344	329	0.49

Atom	y (Å)	z (Å)
C1	0.697	-0.027
C2	-0.697	-0.027
C3	1.387	1.179
C4	-1.387	1.179
C5	0.695	2.380
C6	-0.695	2.380
Cl7	1.604	-1.510
Cl8	-1.604	-1.510
H9	2.470	1.163
H10	-2.470	1.163
H11	1.243	3.314
H12	-1.243	3.314

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3937	1.3900	2.4081	2.4069	2.7802	1.7382	2.7371	2.1351	3.3828	3.3854	3.8634
C2	1.3937		2.4081	1.3900	2.7802	2.4069	2.7371	1.7382	3.3828	2.1351	3.8634	3.3854
C3	1.3900	2.4081		2.7745	1.3859	2.4031	2.6982	4.0223	1.0826	3.8570	2.1395	3.3873
C4	2.4081	1.3900	2.7745		2.4031	1.3859	4.0223	2.6982	3.8570	1.0826	3.3873	2.1395
C5	2.4069	2.7802	1.3859	2.4031		1.3891	3.9947	4.5181	2.1522	3.3902	1.0832	2.1509
C6	2.7802	2.4069	2.4031	1.3859	1.3891		4.5181	3.9947	3.3902	2.1522	2.1509	1.0832
Cl7	1.7382	2.7371	2.6982	4.0223	3.9947	4.5181		3.2072	2.8097	4.8720	4.8376	5.6013
Cl8	2.7371	1.7382	4.0223	2.6982	4.5181	3.9947	3.2072		4.8720	2.8097	5.6013	4.8376
H9	2.1351	3.3828	1.0826	3.8570	2.1522	3.3902	2.8097	4.8720		4.9394	2.4764	4.2908
H10	3.3828	2.1351	3.8570	1.0826	3.3902	2.1522	4.8720	2.8097	4.9394		4.2908	2.4764
H11	3.3854	3.8634	2.1395	3.3873	1.0832	2.1509	4.8376	5.6013	2.4764	4.2908		2.4857
H12	3.8634	3.3854	3.3873	2.1395	2.1509	1.0832	5.6013	4.8376	4.2908	2.4764	2.4857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.779	C1	C2	Cl8	121.443
C1	C3	C5	120.235	C1	C3	H9	118.902
C2	C1	C3	119.779	C2	C1	Cl7	121.443
C2	C4	C6	120.235	C2	C4	H10	118.902
C3	C1	Cl7	118.778	C3	C5	C6	119.986
C3	C5	H11	119.603	C4	C2	Cl8	118.778
C4	C6	C5	119.986	C4	C6	H12	119.603
C5	C3	H9	120.863	C5	C6	H12	120.411
C6	C4	H10	120.863	C6	C5	H11	120.411

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

using model chemistry: wB97X-D/6-311G**

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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Number	Element	Mulliken
1	C	-0.146
2	C	-0.146
3	C	0.004
4	C	0.004
5	C	-0.101
6	C	-0.101
7	Cl	-0.021
8	Cl	-0.021
9	H	0.142
10	H	0.142
11	H	0.123
12	H	0.123

<r²>	360.489
(<r²>)^1/2	18.987

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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