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	hartrees
Energy at 0K	-1151.320721
Energy at 298.15K	-1151.324674
HF Energy	-1151.320721
Nuclear repulsion energy	446.681138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3157	3140	0.20
2	A₁	3146	3129	2.81
3	A₁	3116	3099	6.67
4	A₁	1553	1545	26.78
5	A₁	1397	1389	9.56
6	A₁	1089	1083	9.10
7	A₁	1055	1049	35.19
8	A₁	978	973	5.05
9	A₁	651	648	2.48
10	A₁	380	378	4.21
11	A₁	191	190	0.28
12	A₂	864	860	0.00
13	A₂	524	521	0.00
14	A₂	195	194	0.00
15	B₁	943	938	0.10
16	B₁	845	840	12.59
17	B₁	752	748	43.55
18	B₁	657	654	13.70
19	B₁	430	428	4.80
20	B₁	161	160	0.15
21	B₂	3142	3125	1.80
22	B₂	1552	1544	86.25
23	B₂	1444	1437	70.93
24	B₂	1312	1305	0.52
25	B₂	1262	1255	2.33
26	B₂	1160	1154	0.63
27	B₂	1062	1056	28.55
28	B₂	748	744	100.87
29	B₂	414	412	7.75
30	B₂	357	355	0.83

Atom	y (Å)	z (Å)
C1	0.000	2.099
C2	1.225	1.406
C3	-1.225	1.406
C4	1.205	0.001
C5	-1.205	0.001
C6	0.000	-0.724
Cl7	2.740	-0.894
Cl8	-2.740	-0.894
H9	0.000	3.191
H10	2.175	1.943
H11	-2.175	1.943
H12	0.000	-1.813

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4071	1.4071	2.4192	2.4192	2.8221	4.0577	4.0577	1.0928	2.1801	2.1801	3.9119
C2	1.4071		2.4501	1.4056	2.8073	2.4571	2.7546	4.5842	2.1649	1.0907	3.4417	3.4449
C3	1.4071	2.4501		2.8073	1.4056	2.4571	4.5842	2.7546	2.1649	3.4417	1.0907	3.4449
C4	2.4192	1.4056	2.8073		2.4102	1.4061	1.7770	4.0456	3.4105	2.1708	3.8980	2.1780
C5	2.4192	2.8073	1.4056	2.4102		1.4061	4.0456	1.7770	3.4105	3.8980	2.1708	2.1780
C6	2.8221	2.4571	2.4571	1.4061	1.4061		2.7456	2.7456	3.9149	3.4409	3.4409	1.0898
Cl7	4.0577	2.7546	4.5842	1.7770	4.0456	2.7456		5.4806	4.9193	2.8930	5.6749	2.8904
Cl8	4.0577	4.5842	2.7546	4.0456	1.7770	2.7456	5.4806		4.9193	5.6749	2.8930	2.8904
H9	1.0928	2.1649	2.1649	3.4105	3.4105	3.9149	4.9193	4.9193		2.5073	2.5073	5.0047
H10	2.1801	1.0907	3.4417	2.1708	3.8980	3.4409	2.8930	5.6749	2.5073		4.3491	4.3405
H11	2.1801	3.4417	1.0907	3.8980	2.1708	3.4409	5.6749	2.8930	2.5073	4.3491		4.3405
H12	3.9119	3.4449	3.4449	2.1780	2.1780	1.0898	2.8904	2.8904	5.0047	4.3405	4.3405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.656	C1	C2	H10	121.050
C1	C3	C5	118.656	C1	C3	H11	121.050
C2	C1	C3	121.061	C2	C1	H9	119.469
C2	C4	C6	121.824	C2	C4	Cl7	119.424
C3	C1	H9	119.469	C3	C5	C6	121.824
C3	C5	Cl8	119.424	C4	C2	H10	120.293
C4	C6	C5	117.978	C4	C6	H12	121.011
C5	C3	H11	120.293	C5	C6	H12	121.011
C6	C4	Cl7	118.751	C6	C5	Cl8	118.751

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

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

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	-0.250
2	C	-0.150
3	C	-0.150
4	C	-0.325
5	C	-0.325
6	C	0.254
7	Cl	0.208
8	Cl	0.208
9	H	0.124
10	H	0.131
11	H	0.131
12	H	0.144

<r²>	439.585
(<r²>)^1/2	20.966

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

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

States and conformations

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