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	hartrees
Energy at 0K	-1151.393879
Energy at 298.15K	-1151.398120
HF Energy	-1151.393879
Nuclear repulsion energy	453.379777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3224	3224	2.72
2	A₁	3222	3222	0.00
3	A₁	3200	3200	2.31
4	A₁	1661	1661	24.65
5	A₁	1462	1462	17.23
6	A₁	1157	1157	24.64
7	A₁	1114	1114	11.73
8	A₁	1014	1014	7.23
9	A₁	678	678	2.09
10	A₁	408	408	2.98
11	A₁	195	195	0.18
12	A₂	920	920	0.00
13	A₂	546	546	0.00
14	A₂	202	202	0.00
15	B₁	1008	1008	0.00
16	B₁	896	896	10.75
17	B₁	796	796	44.00
18	B₁	693	693	25.59
19	B₁	446	446	7.01
20	B₁	161	161	0.26
21	B₂	3217	3217	0.14
22	B₂	1663	1663	77.66
23	B₂	1513	1513	81.09
24	B₂	1335	1335	0.55
25	B₂	1290	1290	2.26
26	B₂	1190	1190	0.33
27	B₂	1118	1118	24.43
28	B₂	800	800	94.92
29	B₂	436	436	3.97
30	B₂	371	371	0.56

Atom	y (Å)	z (Å)
C1	0.000	2.070
C2	1.209	1.385
C3	-1.209	1.385
C4	1.190	-0.003
C5	-1.190	-0.003
C6	0.000	-0.716
Cl7	2.696	-0.879
Cl8	-2.696	-0.879
H9	0.000	3.153
H10	2.153	1.913
H11	-2.153	1.913
H12	0.000	-1.798

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3894	1.3894	2.3904	2.3904	2.7865	3.9964	3.9964	1.0828	2.1584	2.1584	3.8678
C2	1.3894		2.4173	1.3878	2.7714	2.4241	2.7094	4.5141	2.1417	1.0816	3.4025	3.4044
C3	1.3894	2.4173		2.7714	1.3878	2.4241	4.5141	2.7094	2.1417	3.4025	1.0816	3.4044
C4	2.3904	1.3878	2.7714		2.3806	1.3878	1.7427	3.9844	3.3728	2.1439	3.8530	2.1537
C5	2.3904	2.7714	1.3878	2.3806		1.3878	3.9844	1.7427	3.3728	3.8530	2.1439	2.1537
C6	2.7865	2.4241	2.4241	1.3878	1.3878		2.7014	2.7014	3.8693	3.3982	3.3982	1.0814
Cl7	3.9964	2.7094	4.5141	1.7427	3.9844	2.7014		5.3929	4.8509	2.8450	5.5957	2.8485
Cl8	3.9964	4.5141	2.7094	3.9844	1.7427	2.7014	5.3929		4.8509	5.5957	2.8450	2.8485
H9	1.0828	2.1417	2.1417	3.3728	3.3728	3.8693	4.8509	4.8509		2.4842	2.4842	4.9507
H10	2.1584	1.0816	3.4025	2.1439	3.8530	3.3982	2.8450	5.5957	2.4842		4.3053	4.2899
H11	2.1584	3.4025	1.0816	3.8530	2.1439	3.3982	5.5957	2.8450	2.4842	4.3053		4.2899
H12	3.8678	3.4044	3.4044	2.1537	2.1537	1.0814	2.8485	2.8485	4.9507	4.2899	4.2899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.791	C1	C2	H10	121.226
C1	C3	C5	118.791	C1	C3	H11	121.226
C2	C1	C3	120.903	C2	C1	H9	119.549
C2	C4	C6	121.699	C2	C4	Cl7	119.444
C3	C1	H9	119.549	C3	C5	C6	121.699
C3	C5	Cl8	119.444	C4	C2	H10	119.983
C4	C6	C5	118.117	C4	C6	H12	120.941
C5	C3	H11	119.983	C5	C6	H12	120.941
C6	C4	Cl7	118.857	C6	C5	Cl8	118.857

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

using model chemistry: M06-2X/6-311G**

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	-0.132
2	C	0.002
3	C	0.002
4	C	-0.287
5	C	-0.287
6	C	0.119
7	Cl	-0.028
8	Cl	-0.028
9	H	0.144
10	H	0.158
11	H	0.158
12	H	0.179

<r²>	427.121
(<r²>)^1/2	20.667

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

using model chemistry: M06-2X/6-311G**

States and conformations

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