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	hartrees
Energy at 0K	-1145.602087
Energy at 298.15K	-1145.606500
HF Energy	-1145.602087
Nuclear repulsion energy	464.811283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3113	1.67
2	A₁	3223	3090	0.11
3	A₁	1652	1584	3.59
4	A₁	1540	1477	56.72
5	A₁	1318	1264	0.32
6	A₁	1233	1182	0.07
7	A₁	1191	1142	28.54
8	A₁	1081	1036	5.17
9	A₁	694	665	15.97
10	A₁	476	457	10.00
11	A₁	197	189	0.01
12	A₂	1083	1039	0.00
13	A₂	949	910	0.00
14	A₂	791	758	0.00
15	A₂	555	532	0.00
16	A₂	148	142	0.00
17	B₁	1041	998	4.76
18	B₁	813	779	89.35
19	B₁	475	456	8.63
20	B₁	242	232	1.51
21	B₂	3234	3101	0.04
22	B₂	3220	3087	2.12
23	B₂	1651	1583	6.26
24	B₂	1506	1443	20.43
25	B₂	1332	1277	3.31
26	B₂	1181	1132	2.14
27	B₂	1085	1041	38.37
28	B₂	767	735	21.52
29	B₂	427	409	0.92
30	B₂	331	317	0.19

Atom	y (Å)	z (Å)
C1	0.692	0.003
C2	-0.692	0.003
C3	1.396	1.200
C4	-1.396	1.200
C5	0.698	2.407
C6	-0.698	2.407
Cl7	1.612	-1.540
Cl8	-1.612	-1.540
H9	2.477	1.177
H10	-2.477	1.177
H11	1.245	3.341
H12	-1.245	3.341

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3839	1.3885	2.4064	2.4038	2.7767	1.7969	2.7733	2.1362	3.3793	3.3829	3.8588
C2	1.3839		2.4064	1.3885	2.7767	2.4038	2.7733	1.7969	3.3793	2.1362	3.8588	3.3829
C3	1.3885	2.4064		2.7912	1.3940	2.4164	2.7490	4.0690	1.0817	3.8728	2.1456	3.3993
C4	2.4064	1.3885	2.7912		2.4164	1.3940	4.0690	2.7490	3.8728	1.0817	3.3993	2.1456
C5	2.4038	2.7767	1.3940	2.4164		1.3958	4.0517	4.5735	2.1632	3.4051	1.0822	2.1558
C6	2.7767	2.4038	2.4164	1.3940	1.3958		4.5735	4.0517	3.4051	2.1632	2.1558	1.0822
Cl7	1.7969	2.7733	2.7490	4.0690	4.0517	4.5735		3.2244	2.8511	4.9095	4.8945	5.6557
Cl8	2.7733	1.7969	4.0690	2.7490	4.5735	4.0517	3.2244		4.9095	2.8511	5.6557	4.8945
H9	2.1362	3.3793	1.0817	3.8728	2.1632	3.4051	2.8511	4.9095		4.9542	2.4900	4.3057
H10	3.3793	2.1362	3.8728	1.0817	3.4051	2.1632	4.9095	2.8511	4.9542		4.3057	2.4900
H11	3.3829	3.8588	2.1456	3.3993	1.0822	2.1558	4.8945	5.6557	2.4900	4.3057		2.4906
H12	3.8588	3.3829	3.3993	2.1456	2.1558	1.0822	5.6557	4.8945	4.3057	2.4900	2.4906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.448	C1	C2	Cl8	120.805
C1	C3	C5	119.518	C1	C3	H9	119.197
C2	C1	C3	120.448	C2	C1	Cl7	120.805
C2	C4	C6	119.518	C2	C4	H10	119.197
C3	C1	Cl7	118.747	C3	C5	C6	120.034
C3	C5	H11	119.580	C4	C2	Cl8	118.747
C4	C6	C5	120.034	C4	C6	H12	119.580
C5	C3	H9	121.285	C5	C6	H12	120.386
C6	C4	H10	121.285	C6	C5	H11	120.386

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)

using model chemistry: M06-2X/3-21G

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	-0.302
2	C	-0.302
3	C	-0.153
4	C	-0.153
5	C	-0.202
6	C	-0.202
7	Cl	0.177
8	Cl	0.177
9	H	0.249
10	H	0.249
11	H	0.231
12	H	0.231

<r²>	367.740
(<r²>)^1/2	19.177

All results from a given calculation for C6H4Cl2 (1,2-dichlorobenzene)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)