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	hartrees
Energy at 0K	-64.474713
Energy at 298.15K	-64.479318
HF Energy	-64.474713
Nuclear repulsion energy	163.341840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3438	3099	19.18
2	A₁	3413	3076	16.41
3	A₁	1766	1592	4.74
4	A₁	1622	1462	59.64
5	A₁	1353	1220	0.02
6	A₁	1275	1150	0.22
7	A₁	1237	1115	29.67
8	A₁	1122	1011	10.62
9	A₁	707	637	18.55
10	A₁	490	442	9.90
11	A₁	207	186	0.01
12	A₂	1149	1035	0.00
13	A₂	1019	918	0.00
14	A₂	791	713	0.00
15	A₂	577	520	0.00
16	A₂	150	135	0.00
17	B₁	1116	1006	1.50
18	B₁	890	802	99.45
19	B₁	498	449	14.35
20	B₁	258	232	2.25
21	B₂	3431	3092	14.61
22	B₂	3391	3056	2.77
23	B₂	1769	1595	10.51
24	B₂	1583	1427	24.54
25	B₂	1398	1260	2.59
26	B₂	1238	1116	2.26
27	B₂	1100	992	53.65
28	B₂	780	703	26.00
29	B₂	443	399	0.69
30	B₂	350	316	0.26

Atom	y (Å)	z (Å)
C1	0.703	-0.013
C2	-0.703	-0.013
C3	1.410	1.204
C4	-1.410	1.204
C5	0.704	2.421
C6	-0.704	2.421
Cl7	1.648	-1.542
Cl8	-1.648	-1.542
H9	2.484	1.189
H10	-2.484	1.189
H11	1.248	3.349
H12	-1.248	3.349

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4051	1.4070	2.4374	2.4333	2.8108	1.7976	2.8039	2.1488	3.4055	3.4059	3.8869
C2	1.4051		2.4374	1.4070	2.8108	2.4333	2.8039	1.7976	3.4055	2.1488	3.8869	3.4059
C3	1.4070	2.4374		2.8191	1.4063	2.4392	2.7558	4.1092	1.0743	3.8934	2.1514	3.4156
C4	2.4374	1.4070	2.8191		2.4392	1.4063	4.1092	2.7558	3.8934	1.0743	3.4156	2.1514
C5	2.4333	2.8108	1.4063	2.4392		1.4090	4.0730	4.6079	2.1638	3.4178	1.0761	2.1623
C6	2.8108	2.4333	2.4392	1.4063	1.4090		4.6079	4.0730	3.4178	2.1638	2.1623	1.0761
Cl7	1.7976	2.8039	2.7558	4.1092	4.0730	4.6079		3.2956	2.8561	4.9526	4.9071	5.6840
Cl8	2.8039	1.7976	4.1092	2.7558	4.6079	4.0730	3.2956		4.9526	2.8561	5.6840	4.9071
H9	2.1488	3.4055	1.0743	3.8934	2.1638	3.4178	2.8561	4.9526		4.9676	2.4883	4.3120
H10	3.4055	2.1488	3.8934	1.0743	3.4178	2.1638	4.9526	2.8561	4.9676		4.3120	2.4883
H11	3.4059	3.8869	2.1514	3.4156	1.0761	2.1623	4.9071	5.6840	2.4883	4.3120		2.4965
H12	3.8869	3.4059	3.4156	2.1514	2.1623	1.0761	5.6840	4.9071	4.3120	2.4883	2.4965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.163	C1	C2	Cl8	121.724
C1	C3	C5	119.746	C1	C3	H9	119.388
C2	C1	C3	120.163	C2	C1	Cl7	121.724
C2	C4	C6	119.746	C2	C4	H10	119.388
C3	C1	Cl7	118.113	C3	C5	C6	120.091
C3	C5	H11	119.556	C4	C2	Cl8	118.113
C4	C6	C5	120.091	C4	C6	H12	119.556
C5	C3	H9	120.866	C5	C6	H12	120.353
C6	C4	H10	120.866	C6	C5	H11	120.353

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

using model chemistry: HF/CEP-31G

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	-0.308
2	C	-0.308
3	C	-0.060
4	C	-0.060
5	C	-0.278
6	C	-0.278
7	Cl	0.097
8	Cl	0.097
9	H	0.287
10	H	0.287
11	H	0.260
12	H	0.260

<r²>	230.695
(<r²>)^1/2	15.189

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

using model chemistry: HF/CEP-31G

States and conformations

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