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	hartrees
Energy at 0K	-1151.281267
Energy at 298.15K	-1151.285481
HF Energy	-1151.281267
Nuclear repulsion energy	452.904982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3079	2.16
2	A₁	3237	3077	0.34
3	A₁	3214	3054	3.46
4	A₁	1675	1591	24.00
5	A₁	1471	1398	16.85
6	A₁	1166	1108	23.15
7	A₁	1117	1062	9.34
8	A₁	1012	962	7.16
9	A₁	677	644	2.08
10	A₁	410	389	3.21
11	A₁	195	186	0.47
12	A₂	918	872	0.00
13	A₂	545	518	0.00
14	A₂	205	195	0.00
15	B₁	1001	951	0.16
16	B₁	895	851	13.97
17	B₁	796	756	42.10
18	B₁	689	655	12.87
19	B₁	445	423	3.46
20	B₁	164	156	0.01
21	B₂	3233	3072	0.00
22	B₂	1678	1595	71.43
23	B₂	1521	1446	77.65
24	B₂	1350	1283	0.16
25	B₂	1294	1230	3.34
26	B₂	1190	1131	0.17
27	B₂	1121	1066	21.25
28	B₂	806	766	87.39
29	B₂	435	413	4.06
30	B₂	371	352	0.15

Atom	y (Å)	z (Å)
C1	0.000	2.073
C2	1.211	1.387
C3	-1.211	1.387
C4	1.192	-0.003
C5	-1.192	-0.003
C6	0.000	-0.718
Cl7	2.698	-0.880
Cl8	-2.698	-0.880
H9	0.000	3.158
H10	2.156	1.917
H11	-2.156	1.917
H12	0.000	-1.801

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3913	1.3913	2.3939	2.3939	2.7907	4.0002	4.0002	1.0847	2.1617	2.1617	3.8740
C2	1.3913		2.4211	1.3903	2.7761	2.4283	2.7120	4.5187	2.1447	1.0836	3.4079	3.4104
C3	1.3913	2.4211		2.7761	1.3903	2.4283	4.5187	2.7120	2.1447	3.4079	1.0836	3.4104
C4	2.3939	1.3903	2.7761		2.3847	1.3902	1.7427	3.9881	3.3780	2.1478	3.8596	2.1576
C5	2.3939	2.7761	1.3903	2.3847		1.3902	3.9881	1.7427	3.3780	3.8596	2.1478	2.1576
C6	2.7907	2.4283	2.4283	1.3902	1.3902		2.7028	2.7028	3.8754	3.4041	3.4041	1.0834
Cl7	4.0002	2.7120	4.5187	1.7427	3.9881	2.7028		5.3959	4.8565	2.8491	5.6022	2.8507
Cl8	4.0002	4.5187	2.7120	3.9881	1.7427	2.7028	5.3959		4.8565	5.6022	2.8491	2.8507
H9	1.0847	2.1447	2.1447	3.3780	3.3780	3.8754	4.8565	4.8565		2.4877	2.4877	4.9588
H10	2.1617	1.0836	3.4079	2.1478	3.8596	3.4041	2.8491	5.6022	2.4877		4.3121	4.2976
H11	2.1617	3.4079	1.0836	3.8596	2.1478	3.4041	5.6022	2.8491	2.4877	4.3121		4.2976
H12	3.8740	3.4104	3.4104	2.1576	2.1576	1.0834	2.8507	2.8507	4.9588	4.2976	4.2976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.779	C1	C2	H10	121.229
C1	C3	C5	118.779	C1	C3	H11	121.229
C2	C1	C3	120.943	C2	C1	H9	119.528
C2	C4	C6	121.692	C2	C4	Cl7	119.488
C3	C1	H9	119.528	C3	C5	C6	121.692
C3	C5	Cl8	119.488	C4	C2	H10	119.993
C4	C6	C5	118.115	C4	C6	H12	120.942
C5	C3	H11	119.993	C5	C6	H12	120.942
C6	C4	Cl7	118.820	C6	C5	Cl8	118.820

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

using model chemistry: M06-2X/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	-0.121
2	C	-0.093
3	C	-0.093
4	C	-0.134
5	C	-0.134
6	C	-0.070
7	Cl	0.013
8	Cl	0.013
9	H	0.144
10	H	0.153
11	H	0.153
12	H	0.169

<r²>	427.152
(<r²>)^1/2	20.668

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

using model chemistry: M06-2X/6-31G**

States and conformations

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