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	hartrees
Energy at 0K	-1151.044818
Energy at 298.15K
HF Energy	-1150.618145
Nuclear repulsion energy	468.538363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3231	3231	5.09
2	A₁	3216	3216	5.82
3	A₁	1618	1618	4.01
4	A₁	1497	1497	63.91
5	A₁	1339	1339	1.26
6	A₁	1189	1189	0.52
7	A₁	1157	1157	47.53
8	A₁	1061	1061	8.20
9	A₁	673	673	15.89
10	A₁	483	483	6.84
11	A₁	205	205	0.05
12	A₂	959	959	0.00
13	A₂	853	853	0.00
14	A₂	632	632	0.00
15	A₂	509	509	0.00
16	A₂	135	135	0.00
17	B₁	940	940	1.16
18	B₁	760	760	66.13
19	B₁	443	443	7.26
20	B₁	232	232	1.86
21	B₂	3226	3226	3.27
22	B₂	3203	3203	1.12
23	B₂	1626	1626	8.56
24	B₂	1467	1467	21.26
25	B₂	1283	1283	3.80
26	B₂	1155	1155	2.52
27	B₂	1044	1044	41.05
28	B₂	753	753	19.85
29	B₂	431	431	0.29
30	B₂	340	340	0.46

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	1.164
H10	-2.474	1.164
H11	1.246	3.320
H12	-1.246	3.320

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3987	1.3951	2.4165	2.4164	2.7909	1.7401	2.7434	2.1384	3.3900	3.3939	3.8736
C2	1.3987		2.4165	1.3951	2.7909	2.4164	2.7434	1.7401	3.3900	2.1384	3.8736	3.3939
C3	1.3951	2.4165		2.7834	1.3911	2.4116	2.7038	4.0326	1.0820	3.8653	2.1434	3.3959
C4	2.4165	1.3951	2.7834		2.4116	1.3911	4.0326	2.7038	3.8653	1.0820	3.3959	2.1434
C5	2.4164	2.7909	1.3911	2.4116		1.3941	4.0054	4.5307	2.1567	3.3983	1.0828	2.1558
C6	2.7909	2.4164	2.4116	1.3911	1.3941		4.5307	4.0054	3.3983	2.1567	2.1558	1.0828
Cl7	1.7401	2.7434	2.7038	4.0326	4.0054	4.5307		3.2159	2.8141	4.8815	4.8472	5.6134
Cl8	2.7434	1.7401	4.0326	2.7038	4.5307	4.0054	3.2159		4.8815	2.8141	5.6134	4.8472
H9	2.1384	3.3900	1.0820	3.8653	2.1567	3.3983	2.8141	4.8815		4.9472	2.4808	4.2995
H10	3.3900	2.1384	3.8653	1.0820	3.3983	2.1567	4.8815	2.8141	4.9472		4.2995	2.4808
H11	3.3939	3.8736	2.1434	3.3959	1.0828	2.1558	4.8472	5.6134	2.4808	4.2995		2.4925
H12	3.8736	3.3939	3.3959	2.1434	2.1558	1.0828	5.6134	4.8472	4.2995	2.4808	2.4925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.756	C1	C2	Cl8	121.477
C1	C3	C5	120.287	C1	C3	H9	118.829
C2	C1	C3	119.756	C2	C1	Cl7	121.477
C2	C4	C6	120.287	C2	C4	H10	118.829
C3	C1	Cl7	118.767	C3	C5	C6	119.957
C3	C5	H11	119.567	C4	C2	Cl8	118.767
C4	C6	C5	119.957	C4	C6	H12	119.567
C5	C3	H9	120.884	C5	C6	H12	120.477
C6	C4	H10	120.884	C6	C5	H11	120.477

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)