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	hartrees
Energy at 0K	-1151.308180
Energy at 298.15K	-1151.312131
HF Energy	-1151.308180
Nuclear repulsion energy	446.989079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3137	0.17
2	A₁	3149	3125	3.19
3	A₁	3117	3093	7.08
4	A₁	1562	1550	25.57
5	A₁	1404	1393	9.05
6	A₁	1093	1085	9.81
7	A₁	1061	1052	28.86
8	A₁	980	972	5.96
9	A₁	653	648	2.49
10	A₁	381	378	4.37
11	A₁	191	189	0.46
12	A₂	864	857	0.00
13	A₂	519	515	0.00
14	A₂	197	195	0.00
15	B₁	938	931	0.31
16	B₁	843	837	12.48
17	B₁	756	750	34.22
18	B₁	658	653	6.53
19	B₁	431	427	2.36
20	B₁	162	161	0.00
21	B₂	3145	3121	1.91
22	B₂	1561	1549	73.10
23	B₂	1452	1440	67.76
24	B₂	1316	1306	0.37
25	B₂	1265	1255	2.81
26	B₂	1163	1154	0.36
27	B₂	1065	1057	28.75
28	B₂	750	744	97.79
29	B₂	415	412	7.57
30	B₂	357	354	0.55

Atom	y (Å)	z (Å)
C1	0.000	2.096
C2	1.223	1.405
C3	-1.223	1.405
C4	1.203	0.001
C5	-1.203	0.001
C6	0.000	-0.723
Cl7	2.739	-0.893
Cl8	-2.739	-0.893
H9	0.000	3.189
H10	2.173	1.940
H11	-2.173	1.940
H12	0.000	-1.813

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4052	1.4052	2.4166	2.4166	2.8200	4.0547	4.0547	1.0926	2.1787	2.1787	3.9093
C2	1.4052		2.4465	1.4043	2.8037	2.4550	2.7531	4.5806	2.1631	1.0904	3.4384	3.4425
C3	1.4052	2.4465		2.8037	1.4043	2.4550	4.5806	2.7531	2.1631	3.4384	1.0904	3.4425
C4	2.4166	1.4043	2.8037		2.4070	1.4047	1.7769	4.0427	3.4078	2.1685	3.8940	2.1766
C5	2.4166	2.8037	1.4043	2.4070		1.4047	4.0427	1.7769	3.4078	3.8940	2.1685	2.1766
C6	2.8200	2.4550	2.4550	1.4047	1.4047		2.7444	2.7444	3.9125	3.4379	3.4379	1.0893
Cl7	4.0547	2.7531	4.5806	1.7769	4.0427	2.7444		5.4782	4.9160	2.8896	5.6710	2.8894
Cl8	4.0547	4.5806	2.7531	4.0427	1.7769	2.7444	5.4782		4.9160	5.6710	2.8896	2.8894
H9	1.0926	2.1631	2.1631	3.4078	3.4078	3.9125	4.9160	4.9160		2.5063	2.5063	5.0018
H10	2.1787	1.0904	3.4384	2.1685	3.8940	3.4379	2.8896	5.6710	2.5063		4.3463	4.3370
H11	2.1787	3.4384	1.0904	3.8940	2.1685	3.4379	5.6710	2.8896	2.5063	4.3463		4.3370
H12	3.9093	3.4425	3.4425	2.1766	2.1766	1.0893	2.8894	2.8894	5.0018	4.3370	4.3370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.669	C1	C2	H10	121.115
C1	C3	C5	118.669	C1	C3	H11	121.115
C2	C1	C3	121.048	C2	C1	H9	119.476
C2	C4	C6	121.851	C2	C4	Cl7	119.399
C3	C1	H9	119.476	C3	C5	C6	121.851
C3	C5	Cl8	119.399	C4	C2	H10	120.216
C4	C6	C5	117.913	C4	C6	H12	121.043
C5	C3	H11	120.216	C5	C6	H12	121.043
C6	C4	Cl7	118.750	C6	C5	Cl8	118.750

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

using model chemistry: BLYP/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	-0.057
2	C	-0.044
3	C	-0.044
4	C	-0.070
5	C	-0.070
6	C	-0.036
7	Cl	-0.020
8	Cl	-0.020
9	H	0.081
10	H	0.089
11	H	0.089
12	H	0.105

<r²>	438.089
(<r²>)^1/2	20.931

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

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

States and conformations

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