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	hartrees
Energy at 0K	-1151.355040
Energy at 298.15K	-1151.359117
HF Energy	-1151.355040
Nuclear repulsion energy	443.347324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3127	3.61
2	A₁	3250	3125	2.94
3	A₁	3217	3093	5.66
4	A₁	1623	1560	32.83
5	A₁	1442	1387	12.72
6	A₁	1129	1085	6.08
7	A₁	1087	1045	30.20
8	A₁	1007	968	7.31
9	A₁	666	640	2.10
10	A₁	376	362	4.62
11	A₁	184	177	0.83
12	A₂	938	902	0.00
13	A₂	536	515	0.00
14	A₂	201	193	0.00
15	B₁	1018	979	0.70
16	B₁	914	879	21.40
17	B₁	811	780	64.88
18	B₁	693	666	25.59
19	B₁	447	430	6.72
20	B₁	163	157	0.10
21	B₂	3241	3116	1.29
22	B₂	1616	1554	84.75
23	B₂	1486	1429	72.49
24	B₂	1361	1308	0.54
25	B₂	1313	1263	1.66
26	B₂	1207	1160	0.34
27	B₂	1099	1056	15.10
28	B₂	750	721	90.17
29	B₂	417	401	7.70
30	B₂	347	333	0.44

Atom	y (Å)	z (Å)
C1	0.000	2.109
C2	1.225	1.414
C3	-1.225	1.414
C4	1.199	0.012
C5	-1.199	0.012
C6	0.000	-0.718
Cl7	2.774	-0.904
Cl8	-2.774	-0.904
H9	0.000	3.196
H10	2.170	1.948
H11	-2.170	1.948
H12	0.000	-1.802

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4087	1.4087	2.4158	2.4158	2.8271	4.0959	4.0959	1.0863	2.1760	2.1760	3.9112
C2	1.4087		2.4505	1.4026	2.8003	2.4590	2.7882	4.6225	2.1621	1.0849	3.4369	3.4415
C3	1.4087	2.4505		2.8003	1.4026	2.4590	4.6225	2.7882	2.1621	3.4369	1.0849	3.4415
C4	2.4158	1.4026	2.8003		2.3972	1.4032	1.8222	4.0766	3.4020	2.1659	3.8852	2.1739
C5	2.4158	2.8003	1.4026	2.3972		1.4032	4.0766	1.8222	3.4020	3.8852	2.1659	2.1739
C6	2.8271	2.4590	2.4590	1.4032	1.4032		2.7800	2.7800	3.9134	3.4371	3.4371	1.0840
Cl7	4.0959	2.7882	4.6225	1.8222	4.0766	2.7800		5.5474	4.9502	2.9153	5.7074	2.9152
Cl8	4.0959	4.6225	2.7882	4.0766	1.8222	2.7800	5.5474		4.9502	5.7074	2.9153	2.9152
H9	1.0863	2.1621	2.1621	3.4020	3.4020	3.9134	4.9502	4.9502		2.5033	2.5033	4.9975
H10	2.1760	1.0849	3.4369	2.1659	3.8852	3.4371	2.9153	5.7074	2.5033		4.3399	4.3321
H11	2.1760	3.4369	1.0849	3.8852	2.1659	3.4371	5.7074	2.9153	2.5033	4.3399		4.3321
H12	3.9112	3.4415	3.4415	2.1739	2.1739	1.0840	2.9152	2.9152	4.9975	4.3321	4.3321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.478	C1	C2	H10	120.979
C1	C3	C5	118.478	C1	C3	H11	120.979
C2	C1	C3	120.863	C2	C1	H9	119.569
C2	C4	C6	122.419	C2	C4	Cl7	119.098
C3	C1	H9	119.569	C3	C5	C6	122.419
C3	C5	Cl8	119.098	C4	C2	H10	120.543
C4	C6	C5	117.341	C4	C6	H12	121.329
C5	C3	H11	120.543	C5	C6	H12	121.329
C6	C4	Cl7	118.482	C6	C5	Cl8	118.482

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.165
2	C	-0.224
3	C	-0.224
4	C	-0.037
5	C	-0.037
6	C	-0.216
7	Cl	-0.059
8	Cl	-0.059
9	H	0.234
10	H	0.256
11	H	0.256
12	H	0.277

<r²>	446.431
(<r²>)^1/2	21.129

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

using model chemistry: B3LYP/SDD

States and conformations

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