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	hartrees
Energy at 0K	-1149.692281
Energy at 298.15K	-1149.696307
HF Energy	-1148.582733
Nuclear repulsion energy	468.447385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3082	6.74
2	A₁	3211	3067	6.48
3	A₁	1652	1577	4.25
4	A₁	1527	1458	61.92
5	A₁	1284	1226	1.87
6	A₁	1193	1139	12.70
7	A₁	1183	1130	20.98
8	A₁	1073	1025	6.02
9	A₁	681	650	14.06
10	A₁	493	471	4.56
11	A₁	208	199	0.03
12	A₂	892	852	0.00
13	A₂	830	793	0.00
14	A₂	491	469	0.00
15	A₂	472	451	0.00
16	A₂	135	129	0.00
17	B₁	895	855	0.88
18	B₁	752	718	77.03
19	B₁	435	416	6.90
20	B₁	233	223	2.06
21	B₂	3221	3077	5.58
22	B₂	3198	3054	1.06
23	B₂	1667	1592	7.22
24	B₂	1484	1417	22.37
25	B₂	1298	1240	2.77
26	B₂	1170	1117	2.88
27	B₂	1060	1012	36.70
28	B₂	768	733	13.88
29	B₂	435	416	0.10
30	B₂	342	327	0.23

Atom	y (Å)	z (Å)
C1	0.700	-0.034
C2	-0.700	-0.034
C3	1.394	1.180
C4	-1.394	1.180
C5	0.699	2.388
C6	-0.699	2.388
Cl7	1.609	-1.511
Cl8	-1.609	-1.511
H9	2.480	1.162
H10	-2.480	1.162
H11	1.250	3.325
H12	-1.250	3.325

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3998	1.3984	2.4201	2.4224	2.7972	1.7340	2.7405	2.1449	3.3976	3.4044	3.8846
C2	1.3998		2.4201	1.3984	2.7972	2.4224	2.7405	1.7340	3.3976	2.1449	3.8846	3.4044
C3	1.3984	2.4201		2.7871	1.3937	2.4162	2.6996	4.0317	1.0865	3.8736	2.1502	3.4047
C4	2.4201	1.3984	2.7871		2.4162	1.3937	4.0317	2.6996	3.8736	1.0865	3.4047	2.1502
C5	2.4224	2.7972	1.3937	2.4162		1.3977	4.0039	4.5308	2.1621	3.4070	1.0873	2.1626
C6	2.7972	2.4224	2.4162	1.3937	1.3977		4.5308	4.0039	3.4070	2.1621	2.1626	1.0873
Cl7	1.7340	2.7405	2.6996	4.0317	4.0039	4.5308		3.2173	2.8118	4.8851	4.8497	5.6181
Cl8	2.7405	1.7340	4.0317	2.6996	4.5308	4.0039	3.2173		4.8851	2.8118	5.6181	4.8497
H9	2.1449	3.3976	1.0865	3.8736	2.1621	3.4070	2.8118	4.8851		4.9600	2.4882	4.3119
H10	3.3976	2.1449	3.8736	1.0865	3.4070	2.1621	4.8851	2.8118	4.9600		4.3119	2.4882
H11	3.4044	3.8846	2.1502	3.4047	1.0873	2.1626	4.8497	5.6181	2.4882	4.3119		2.5002
H12	3.8846	3.4044	3.4047	2.1502	2.1626	1.0873	5.6181	4.8497	4.3119	2.4882	2.5002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.739	C1	C2	Cl8	121.605
C1	C3	C5	120.362	C1	C3	H9	118.810
C2	C1	C3	119.739	C2	C1	Cl7	121.605
C2	C4	C6	120.362	C2	C4	H10	118.810
C3	C1	Cl7	118.656	C3	C5	C6	119.899
C3	C5	H11	119.638	C4	C2	Cl8	118.656
C4	C6	C5	119.899	C4	C6	H12	119.638
C5	C3	H9	120.828	C5	C6	H12	120.462
C6	C4	H10	120.828	C6	C5	H11	120.462

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

using model chemistry: CCD/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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All results from a given calculation for C6H4Cl2 (1,2-dichlorobenzene)

using model chemistry: CCD/6-311G*

States and conformations

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