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	hartrees
Energy at 0K	-1150.870905
Energy at 298.15K	-1150.875088
HF Energy	-1150.522841
Nuclear repulsion energy	468.156789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3259	5.03
2	A₁	3244	3244	6.96
3	A₁	1636	1636	3.32
4	A₁	1512	1512	59.71
5	A₁	1358	1358	1.09
6	A₁	1200	1200	0.66
7	A₁	1165	1165	44.46
8	A₁	1070	1070	7.39
9	A₁	675	675	15.55
10	A₁	485	485	7.24
11	A₁	204	204	0.01
12	A₂	962	962	0.00
13	A₂	860	860	0.00
14	A₂	652	652	0.00
15	A₂	514	514	0.00
16	A₂	138	138	0.00
17	B₁	939	939	1.57
18	B₁	766	766	55.20
19	B₁	445	445	3.34
20	B₁	236	236	0.58
21	B₂	3255	3255	3.66
22	B₂	3232	3232	1.27
23	B₂	1645	1645	7.19
24	B₂	1482	1482	18.13
25	B₂	1292	1292	3.43
26	B₂	1166	1166	2.37
27	B₂	1049	1049	38.49
28	B₂	756	756	18.22
29	B₂	434	434	0.63
30	B₂	341	341	0.20

Atom	y (Å)	z (Å)
C1	0.700	-0.029
C2	-0.700	-0.029
C3	1.394	1.183
C4	-1.394	1.183
C5	0.698	2.389
C6	-0.698	2.389
Cl7	1.609	-1.515
Cl8	-1.609	-1.515
H9	2.475	1.166
H10	-2.475	1.166
H11	1.246	3.323
H12	-1.246	3.323

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4004	1.3966	2.4194	2.4183	2.7932	1.7413	2.7456	2.1402	3.3932	3.3960	3.8760
C2	1.4004		2.4194	1.3966	2.7932	2.4183	2.7456	1.7413	3.3932	2.1402	3.8760	3.3960
C3	1.3966	2.4194		2.7871	1.3924	2.4139	2.7063	4.0364	1.0820	3.8690	2.1445	3.3979
C4	2.4194	1.3966	2.7871		2.4139	1.3924	4.0364	2.7063	3.8690	1.0820	3.3979	2.1445
C5	2.4183	2.7932	1.3924	2.4139		1.3950	4.0087	4.5341	2.1580	3.4005	1.0828	2.1563
C6	2.7932	2.4183	2.4139	1.3924	1.3950		4.5341	4.0087	3.4005	2.1580	2.1563	1.0828
Cl7	1.7413	2.7456	2.7063	4.0364	4.0087	4.5341		3.2178	2.8173	4.8855	4.8507	5.6170
Cl8	2.7456	1.7413	4.0364	2.7063	4.5341	4.0087	3.2178		4.8855	2.8173	5.6170	4.8507
H9	2.1402	3.3932	1.0820	3.8690	2.1580	3.4005	2.8173	4.8855		4.9509	2.4821	4.3014
H10	3.3932	2.1402	3.8690	1.0820	3.4005	2.1580	4.8855	2.8173	4.9509		4.3014	2.4821
H11	3.3960	3.8760	2.1445	3.3979	1.0828	2.1563	4.8507	5.6170	2.4821	4.3014		2.4926
H12	3.8760	3.3960	3.3979	2.1445	2.1563	1.0828	5.6170	4.8507	4.3014	2.4821	2.4926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.765	C1	C2	Cl8	121.457
C1	C3	C5	120.242	C1	C3	H9	118.862
C2	C1	C3	119.765	C2	C1	Cl7	121.457
C2	C4	C6	120.242	C2	C4	H10	118.862
C3	C1	Cl7	118.778	C3	C5	C6	119.993
C3	C5	H11	119.555	C4	C2	Cl8	118.778
C4	C6	C5	119.993	C4	C6	H12	119.555
C5	C3	H9	120.896	C5	C6	H12	120.452
C6	C4	H10	120.896	C6	C5	H11	120.452

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

using model chemistry: B2PLYP/6-31G**

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	-0.101
2	C	-0.101
3	C	-0.078
4	C	-0.078
5	C	-0.096
6	C	-0.096
7	Cl	0.024
8	Cl	0.024
9	H	0.133
10	H	0.133
11	H	0.118
12	H	0.118

<r²>	362.427
(<r²>)^1/2	19.038

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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