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	hartrees
Energy at 0K	-1150.903854
Energy at 298.15K	-1150.908121
HF Energy	-1150.903854
Nuclear repulsion energy	469.727505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	3101	3.38
2	A₁	3233	3087	5.37
3	A₁	1642	1568	5.66
4	A₁	1506	1437	67.86
5	A₁	1360	1299	1.54
6	A₁	1188	1134	2.94
7	A₁	1167	1114	46.53
8	A₁	1071	1023	10.04
9	A₁	677	646	16.59
10	A₁	490	468	6.81
11	A₁	205	196	0.02
12	A₂	998	953	0.00
13	A₂	872	832	0.00
14	A₂	719	686	0.00
15	A₂	527	504	0.00
16	A₂	137	131	0.00
17	B₁	962	918	1.90
18	B₁	766	731	76.27
19	B₁	450	429	5.85
20	B₁	238	227	1.48
21	B₂	3244	3097	2.34
22	B₂	3221	3076	1.01
23	B₂	1652	1577	10.51
24	B₂	1473	1406	20.11
25	B₂	1280	1223	3.03
26	B₂	1161	1109	1.31
27	B₂	1050	1003	40.70
28	B₂	759	725	18.51
29	B₂	437	417	0.41
30	B₂	343	328	0.35

Atom	y (Å)	z (Å)
C1	0.699	-0.031
C2	-0.699	-0.031
C3	1.391	1.179
C4	-1.391	1.179
C5	0.697	2.383
C6	-0.697	2.383
Cl7	1.598	-1.510
Cl8	-1.598	-1.510
H9	2.476	1.162
H10	-2.476	1.162
H11	1.247	3.319
H12	-1.247	3.319

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3989	1.3944	2.4159	2.4147	2.7892	1.7301	2.7319	2.1399	3.3921	3.3947	3.8746
C2	1.3989		2.4159	1.3944	2.7892	2.4147	2.7319	1.7301	3.3921	2.1399	3.8746	3.3947
C3	1.3944	2.4159		2.7826	1.3901	2.4102	2.6971	4.0207	1.0848	3.8673	2.1445	3.3967
C4	2.4159	1.3944	2.7826		2.4102	1.3901	4.0207	2.6971	3.8673	1.0848	3.3967	2.1445
C5	2.4147	2.7892	1.3901	2.4102		1.3932	3.9962	4.5190	2.1584	3.3996	1.0854	2.1569
C6	2.7892	2.4147	2.4102	1.3901	1.3932		4.5190	3.9962	3.3996	2.1584	2.1569	1.0854
Cl7	1.7301	2.7319	2.6971	4.0207	3.9962	4.5190		3.1955	2.8122	4.8716	4.8416	5.6044
Cl8	2.7319	1.7301	4.0207	2.6971	4.5190	3.9962	3.1955		4.8716	2.8122	5.6044	4.8416
H9	2.1399	3.3921	1.0848	3.8673	2.1584	3.3996	2.8122	4.8716		4.9519	2.4829	4.3026
H10	3.3921	2.1399	3.8673	1.0848	3.3996	2.1584	4.8716	2.8122	4.9519		4.3026	2.4829
H11	3.3947	3.8746	2.1445	3.3967	1.0854	2.1569	4.8416	5.6044	2.4829	4.3026		2.4936
H12	3.8746	3.3947	3.3967	2.1445	2.1569	1.0854	5.6044	4.8416	4.3026	2.4829	2.4936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.747	C1	C2	Cl8	121.281
C1	C3	C5	120.270	C1	C3	H9	118.817
C2	C1	C3	119.747	C2	C1	Cl7	121.281
C2	C4	C6	120.270	C2	C4	H10	118.817
C3	C1	Cl7	118.972	C3	C5	C6	119.983
C3	C5	H11	119.558	C4	C2	Cl8	118.972
C4	C6	C5	119.983	C4	C6	H12	119.558
C5	C3	H9	120.913	C5	C6	H12	120.459
C6	C4	H10	120.913	C6	C5	H11	120.459

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.224
2	C	-0.224
3	C	-0.287
4	C	-0.287
5	C	-0.134
6	C	-0.134
7	Cl	0.298
8	Cl	0.298
9	H	0.180
10	H	0.180
11	H	0.167
12	H	0.167

<r²>	360.412
(<r²>)^1/2	18.985

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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