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	hartrees
Energy at 0K	-1150.990626
Energy at 298.15K	-1150.982822
HF Energy	-1151.435733
Nuclear repulsion energy	467.309611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3230	3101	4.37
2	A₁	3213	3086	10.70
3	A₁	1627	1563	3.04
4	A₁	1505	1446	59.21
5	A₁	1330	1278	0.68
6	A₁	1196	1148	0.40
7	A₁	1151	1105	48.05
8	A₁	1066	1024	8.76
9	A₁	672	645	16.74
10	A₁	479	460	8.82
11	A₁	202	194	0.01
12	A₂	986	947	0.00
13	A₂	869	834	0.00
14	A₂	704	676	0.00
15	A₂	522	501	0.00
16	A₂	138	132	0.00
17	B₁	949	911	1.93
18	B₁	766	736	53.60
19	B₁	450	432	3.24
20	B₁	236	227	0.50
21	B₂	3226	3098	5.21
22	B₂	3200	3073	1.81
23	B₂	1635	1570	7.17
24	B₂	1477	1418	17.49
25	B₂	1288	1236	3.38
26	B₂	1159	1113	1.93
27	B₂	1041	999	40.24
28	B₂	748	719	21.24
29	B₂	430	413	0.91
30	B₂	339	325	0.28

Atom	y (Å)	z (Å)
C1	0.701	-0.027
C2	-0.701	-0.027
C3	1.394	1.186
C4	-1.394	1.186
C5	0.698	2.392
C6	-0.698	2.392
Cl7	1.614	-1.518
Cl8	-1.614	-1.518
H9	2.479	1.169
H10	-2.479	1.169
H11	1.248	3.328
H12	-1.248	3.328

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4011	1.3971	2.4206	2.4189	2.7939	1.7484	2.7530	2.1433	3.3972	3.3994	3.8798
C2	1.4011		2.4206	1.3971	2.7939	2.4189	2.7530	1.7484	3.3972	2.1433	3.8798	3.3994
C3	1.3971	2.4206		2.7889	1.3930	2.4151	2.7124	4.0446	1.0848	3.8736	2.1475	3.4019
C4	2.4206	1.3971	2.7889		2.4151	1.3930	4.0446	2.7124	3.8736	1.0848	3.4019	2.1475
C5	2.4189	2.7939	1.3930	2.4151		1.3955	4.0157	4.5420	2.1606	3.4041	1.0859	2.1593
C6	2.7939	2.4189	2.4151	1.3930	1.3955		4.5420	4.0157	3.4041	2.1606	2.1593	1.0859
Cl7	1.7484	2.7530	2.7124	4.0446	4.0157	4.5420		3.2275	2.8230	4.8961	4.8598	5.6279
Cl8	2.7530	1.7484	4.0446	2.7124	4.5420	4.0157	3.2275		4.8961	2.8230	5.6279	4.8598
H9	2.1433	3.3972	1.0848	3.8736	2.1606	3.4041	2.8230	4.8961		4.9582	2.4853	4.3072
H10	3.3972	2.1433	3.8736	1.0848	3.4041	2.1606	4.8961	2.8230	4.9582		4.3072	2.4853
H11	3.3994	3.8798	2.1475	3.4019	1.0859	2.1593	4.8598	5.6279	2.4853	4.3072		2.4960
H12	3.8798	3.3994	3.4019	2.1475	2.1593	1.0859	5.6279	4.8598	4.3072	2.4853	2.4960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.722	C1	C2	Cl8	121.584
C1	C3	C5	120.309	C1	C3	H9	118.902
C2	C1	C3	119.722	C2	C1	Cl7	121.584
C2	C4	C6	120.309	C2	C4	H10	118.902
C3	C1	Cl7	118.695	C3	C5	C6	119.969
C3	C5	H11	119.586	C4	C2	Cl8	118.695
C4	C6	C5	119.969	C4	C6	H12	119.586
C5	C3	H9	120.788	C5	C6	H12	120.445
C6	C4	H10	120.788	C6	C5	H11	120.445

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

using model chemistry: G3B3

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	-0.074
2	C	-0.074
3	C	-0.126
4	C	-0.126
5	C	-0.123
6	C	-0.123
7	Cl	0.013
8	Cl	0.013
9	H	0.163
10	H	0.163
11	H	0.147
12	H	0.147

<r²>	363.513
(<r²>)^1/2	19.066

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

using model chemistry: G3B3

States and conformations

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