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	hartrees
Energy at 0K	-1148.504115
Energy at 298.15K	-1148.508797
HF Energy	-1148.504115
Nuclear repulsion energy	471.000166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3391	3061	6.38
2	A₁	3373	3044	11.09
3	A₁	1769	1596	3.56
4	A₁	1634	1475	69.95
5	A₁	1315	1187	0.95
6	A₁	1252	1130	39.26
7	A₁	1196	1080	1.71
8	A₁	1136	1026	7.00
9	A₁	724	654	17.49
10	A₁	518	468	7.86
11	A₁	220	198	0.00
12	A₂	1121	1012	0.00
13	A₂	983	887	0.00
14	A₂	791	714	0.00
15	A₂	573	517	0.00
16	A₂	152	137	0.00
17	B₁	1083	977	2.45
18	B₁	853	770	67.55
19	B₁	496	447	5.07
20	B₁	260	235	0.67
21	B₂	3387	3057	6.14
22	B₂	3357	3030	1.88
23	B₂	1785	1611	6.27
24	B₂	1594	1439	24.10
25	B₂	1390	1255	4.32
26	B₂	1243	1122	4.40
27	B₂	1135	1024	40.02
28	B₂	808	729	19.32
29	B₂	464	419	0.78
30	B₂	366	331	0.23

Atom	y (Å)	z (Å)
C1	0.693	-0.029
C2	-0.693	-0.029
C3	1.382	1.175
C4	-1.382	1.175
C5	0.693	2.371
C6	-0.693	2.371
Cl7	1.607	-1.504
Cl8	-1.607	-1.504
H9	2.456	1.160
H10	-2.456	1.160
H11	1.237	3.298
H12	-1.237	3.298

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3867	1.3865	2.3991	2.4001	2.7715	1.7348	2.7322	2.1256	3.3658	3.3710	3.8463
C2	1.3867		2.3991	1.3865	2.7715	2.4001	2.7322	1.7348	3.3658	2.1256	3.8463	3.3710
C3	1.3865	2.3991		2.7643	1.3813	2.3952	2.6876	4.0132	1.0736	3.8378	2.1285	3.3718
C4	2.3991	1.3865	2.7643		2.3952	1.3813	4.0132	2.6876	3.8378	1.0736	3.3718	2.1285
C5	2.4001	2.7715	1.3813	2.3952		1.3851	3.9814	4.5058	2.1392	3.3733	1.0748	2.1405
C6	2.7715	2.4001	2.3952	1.3813	1.3851		4.5058	3.9814	3.3733	2.1392	2.1405	1.0748
Cl7	1.7348	2.7322	2.6876	4.0132	3.9814	4.5058		3.2131	2.7955	4.8575	4.8160	5.5806
Cl8	2.7322	1.7348	4.0132	2.6876	4.5058	3.9814	3.2131		4.8575	2.7955	5.5806	4.8160
H9	2.1256	3.3658	1.0736	3.8378	2.1392	3.3733	2.7955	4.8575		4.9112	2.4612	4.2670
H10	3.3658	2.1256	3.8378	1.0736	3.3733	2.1392	4.8575	2.7955	4.9112		4.2670	2.4612
H11	3.3710	3.8463	2.1285	3.3718	1.0748	2.1405	4.8160	5.5806	2.4612	4.2670		2.4739
H12	3.8463	3.3710	3.3718	2.1285	2.1405	1.0748	5.5806	4.8160	4.2670	2.4612	2.4739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.787	C1	C2	Cl8	121.764
C1	C3	C5	120.264	C1	C3	H9	118.998
C2	C1	C3	119.787	C2	C1	Cl7	121.764
C2	C4	C6	120.264	C2	C4	H10	118.998
C3	C1	Cl7	118.449	C3	C5	C6	119.949
C3	C5	H11	119.621	C4	C2	Cl8	118.449
C4	C6	C5	119.949	C4	C6	H12	119.621
C5	C3	H9	120.738	C5	C6	H12	120.430
C6	C4	H10	120.738	C6	C5	H11	120.430

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

using model chemistry: HF/6-31G**

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	-0.138
2	C	-0.138
3	C	-0.108
4	C	-0.108
5	C	-0.143
6	C	-0.143
7	Cl	0.038
8	Cl	0.038
9	H	0.184
10	H	0.184
11	H	0.168
12	H	0.168

<r²>	358.951
(<r²>)^1/2	18.946

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

using model chemistry: HF/6-31G**

States and conformations

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