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	hartrees
Energy at 0K	-1138.093378
Energy at 298.15K	-1138.097213
HF Energy	-1138.093378
Nuclear repulsion energy	445.935799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3536	3119	15.43
2	A₁	3533	3117	41.00
3	A₁	3512	3098	2.09
4	A₁	1743	1537	26.21
5	A₁	1547	1364	20.22
6	A₁	1266	1117	18.81
7	A₁	1166	1029	0.96
8	A₁	1058	933	4.45
9	A₁	710	626	1.47
10	A₁	420	371	2.79
11	A₁	191	169	1.99
12	A₂	977	862	0.00
13	A₂	549	484	0.00
14	A₂	215	190	0.00
15	B₁	1061	936	0.23
16	B₁	944	833	11.30
17	B₁	838	739	32.24
18	B₁	724	639	4.83
19	B₁	454	400	0.64
20	B₁	173	153	0.76
21	B₂	3529	3113	35.42
22	B₂	1749	1543	57.85
23	B₂	1605	1415	83.46
24	B₂	1379	1217	2.38
25	B₂	1348	1189	1.34
26	B₂	1249	1102	0.11
27	B₂	1175	1036	24.67
28	B₂	868	766	50.54
29	B₂	446	393	2.58
30	B₂	356	314	0.09

Atom	y (Å)	z (Å)
C1	0.000	2.099
C2	1.219	1.406
C3	-1.219	1.406
C4	1.202	0.002
C5	-1.202	0.002
C6	0.000	-0.725
Cl7	2.751	-0.894
Cl8	-2.751	-0.894
H9	0.000	3.195
H10	2.173	1.943
H11	-2.173	1.943
H12	0.000	-1.820

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4017	1.4017	2.4171	2.4171	2.8232	4.0649	4.0649	1.0961	2.1790	2.1790	3.9182
C2	1.4017		2.4379	1.4050	2.7992	2.4551	2.7640	4.5883	2.1641	1.0951	3.4346	3.4487
C3	1.4017	2.4379		2.7992	1.4050	2.4551	4.5883	2.7640	2.1641	3.4346	1.0951	3.4487
C4	2.4171	1.4050	2.7992		2.4042	1.4044	1.7891	4.0532	3.4119	2.1712	3.8942	2.1822
C5	2.4171	2.7992	1.4050	2.4042		1.4044	4.0532	1.7891	3.4119	3.8942	2.1712	2.1822
C6	2.8232	2.4551	2.4551	1.4044	1.4044		2.7560	2.7560	3.9193	3.4412	3.4412	1.0951
Cl7	4.0649	2.7640	4.5883	1.7891	4.0532	2.7560		5.5016	4.9281	2.8957	5.6833	2.9023
Cl8	4.0649	4.5883	2.7640	4.0532	1.7891	2.7560	5.5016		4.9281	5.6833	2.8957	2.9023
H9	1.0961	2.1641	2.1641	3.4119	3.4119	3.9193	4.9281	4.9281		2.5079	2.5079	5.0143
H10	2.1790	1.0951	3.4346	2.1712	3.8942	3.4412	2.8957	5.6833	2.5079		4.3468	4.3456
H11	2.1790	3.4346	1.0951	3.8942	2.1712	3.4412	5.6833	2.8957	2.5079	4.3468		4.3456
H12	3.9182	3.4487	3.4487	2.1822	2.1822	1.0951	2.9023	2.9023	5.0143	4.3456	4.3456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.900	C1	C2	H10	121.054
C1	C3	C5	118.900	C1	C3	H11	121.054
C2	C1	C3	120.826	C2	C1	H9	119.587
C2	C4	C6	121.822	C2	C4	Cl7	119.359
C3	C1	H9	119.587	C3	C5	C6	121.822
C3	C5	Cl8	119.359	C4	C2	H10	120.045
C4	C6	C5	117.730	C4	C6	H12	121.135
C5	C3	H11	120.045	C5	C6	H12	121.135
C6	C4	Cl7	118.819	C6	C5	Cl8	118.819

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)

using model chemistry: PBE1PBE/STO-3G

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	-0.070
2	C	-0.076
3	C	-0.076
4	C	0.034
5	C	0.034
6	C	-0.074
7	Cl	-0.109
8	Cl	-0.109
9	H	0.104
10	H	0.111
11	H	0.111
12	H	0.122

<r²>	438.968
(<r²>)^1/2	20.952

All results from a given calculation for C6H4Cl2 (1,3-dichlorobenzene)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)