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	hartrees
Energy at 0K	-1151.030896
Energy at 298.15K
HF Energy	-1150.610896
Nuclear repulsion energy	468.478484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3232	7.23
2	A₁	3217	3217	8.55
3	A₁	1621	1621	3.39
4	A₁	1504	1504	65.10
5	A₁	1341	1341	1.24
6	A₁	1197	1197	0.23
7	A₁	1158	1158	46.49
8	A₁	1063	1063	8.80
9	A₁	674	674	16.09
10	A₁	484	484	6.96
11	A₁	205	205	0.05
12	A₂	939	939	0.00
13	A₂	845	845	0.00
14	A₂	635	635	0.00
15	A₂	509	509	0.00
16	A₂	135	135	0.00
17	B₁	922	922	1.25
18	B₁	755	755	73.09
19	B₁	443	443	7.32
20	B₁	232	232	2.02
21	B₂	3228	3228	6.33
22	B₂	3204	3204	1.42
23	B₂	1631	1631	7.92
24	B₂	1473	1473	22.05
25	B₂	1290	1290	3.82
26	B₂	1159	1159	2.44
27	B₂	1047	1047	41.13
28	B₂	755	755	20.27
29	B₂	431	431	0.30
30	B₂	341	341	0.47

Atom	y (Å)	z (Å)
C1	0.699	-0.029
C2	-0.699	-0.029
C3	1.392	1.182
C4	-1.392	1.182
C5	0.697	2.387
C6	-0.697	2.387
Cl7	1.608	-1.513
Cl8	-1.608	-1.513
H9	2.474	1.165
H10	-2.474	1.165
H11	1.247	3.321
H12	-1.247	3.321

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3987	1.3952	2.4167	2.4165	2.7910	1.7404	2.7436	2.1395	3.3911	3.3948	3.8745
C2	1.3987		2.4167	1.3952	2.7910	2.4165	2.7436	1.7404	3.3911	2.1395	3.8745	3.3948
C3	1.3952	2.4167		2.7838	1.3912	2.4119	2.7041	4.0331	1.0827	3.8664	2.1441	3.3968
C4	2.4167	1.3952	2.7838		2.4119	1.3912	4.0331	2.7041	3.8664	1.0827	3.3968	2.1441
C5	2.4165	2.7910	1.3912	2.4119		1.3943	4.0057	4.5311	2.1570	3.3990	1.0835	2.1565
C6	2.7910	2.4165	2.4119	1.3912	1.3943		4.5311	4.0057	3.3990	2.1570	2.1565	1.0835
Cl7	1.7404	2.7436	2.7041	4.0331	4.0057	4.5311		3.2163	2.8151	4.8828	4.8481	5.6146
Cl8	2.7436	1.7404	4.0331	2.7041	4.5311	4.0057	3.2163		4.8828	2.8151	5.6146	4.8481
H9	2.1395	3.3911	1.0827	3.8664	2.1570	3.3990	2.8151	4.8828		4.9489	2.4812	4.3006
H10	3.3911	2.1395	3.8664	1.0827	3.3990	2.1570	4.8828	2.8151	4.9489		4.3006	2.4812
H11	3.3948	3.8745	2.1441	3.3968	1.0835	2.1565	4.8481	5.6146	2.4812	4.3006		2.4933
H12	3.8745	3.3948	3.3968	2.1441	2.1565	1.0835	5.6146	4.8481	4.3006	2.4812	2.4933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.762	C1	C2	Cl8	121.479
C1	C3	C5	120.280	C1	C3	H9	118.866
C2	C1	C3	119.762	C2	C1	Cl7	121.479
C2	C4	C6	120.280	C2	C4	H10	118.866
C3	C1	Cl7	118.759	C3	C5	C6	119.958
C3	C5	H11	119.569	C4	C2	Cl8	118.759
C4	C6	C5	119.958	C4	C6	H12	119.569
C5	C3	H9	120.854	C5	C6	H12	120.473
C6	C4	H10	120.854	C6	C5	H11	120.473

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-311G*

States and conformations

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