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	hartrees
Energy at 0K	-64.635253
Energy at 298.15K	-64.639829
HF Energy	-64.635253
Nuclear repulsion energy	163.582285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3405	3076	0.00
2	A₁	3395	3067	7.85
3	A₁	3364	3039	8.85
4	A₁	1742	1574	29.88
5	A₁	1545	1396	16.23
6	A₁	1224	1106	28.03
7	A₁	1164	1052	15.42
8	A₁	1072	968	2.65
9	A₁	717	648	2.10
10	A₁	428	386	3.39
11	A₁	209	189	0.53
12	A₂	1024	925	0.00
13	A₂	586	530	0.00
14	A₂	224	202	0.00
15	B₁	1105	998	0.08
16	B₁	993	897	15.57
17	B₁	875	791	66.90
18	B₁	726	656	14.04
19	B₁	480	434	5.12
20	B₁	183	165	0.12
21	B₂	3390	3063	4.14
22	B₂	1748	1579	90.12
23	B₂	1611	1456	69.07
24	B₂	1418	1281	2.43
25	B₂	1288	1163	0.23
26	B₂	1190	1075	27.08
27	B₂	1156	1044	5.83
28	B₂	850	768	88.40
29	B₂	460	416	3.78
30	B₂	391	353	0.36

Atom	y (Å)	z (Å)
C1	0.000	2.075
C2	1.212	1.388
C3	-1.212	1.388
C4	1.192	-0.001
C5	-1.192	-0.001
C6	0.000	-0.716
Cl7	2.704	-0.882
Cl8	-2.704	-0.882
H9	0.000	3.152
H10	2.147	1.917
H11	-2.147	1.917
H12	0.000	-1.790

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3928	1.3928	2.3944	2.3944	2.7914	4.0071	4.0071	1.0764	2.1533	2.1533	3.8649
C2	1.3928		2.4233	1.3897	2.7766	2.4284	2.7169	4.5263	2.1395	1.0747	3.4004	3.4012
C3	1.3928	2.4233		2.7766	1.3897	2.4284	4.5263	2.7169	2.1395	3.4004	1.0747	3.4012
C4	2.3944	1.3897	2.7766		2.3844	1.3902	1.7497	3.9947	3.3708	2.1427	3.8512	2.1494
C5	2.3944	2.7766	1.3897	2.3844		1.3902	3.9947	1.7497	3.3708	3.8512	2.1427	2.1494
C6	2.7914	2.4284	2.4284	1.3902	1.3902		2.7092	2.7092	3.8679	3.3976	3.3976	1.0735
Cl7	4.0071	2.7169	4.5263	1.7497	3.9947	2.7092		5.4083	4.8562	2.8535	5.6009	2.8525
Cl8	4.0071	4.5263	2.7169	3.9947	1.7497	2.7092	5.4083		4.8562	5.6009	2.8535	2.8525
H9	1.0764	2.1395	2.1395	3.3708	3.3708	3.8679	4.8562	4.8562		2.4772	2.4772	4.9414
H10	2.1533	1.0747	3.4004	2.1427	3.8512	3.3976	2.8535	5.6009	2.4772		4.2948	4.2836
H11	2.1533	3.4004	1.0747	3.8512	2.1427	3.3976	5.6009	2.8535	2.4772	4.2948		4.2836
H12	3.8649	3.4012	3.4012	2.1494	2.1494	1.0735	2.8525	2.8525	4.9414	4.2836	4.2836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.747	C1	C2	H10	120.998
C1	C3	C5	118.747	C1	C3	H11	120.998
C2	C1	C3	120.903	C2	C1	H9	119.548
C2	C4	C6	121.752	C2	C4	Cl7	119.418
C3	C1	H9	119.548	C3	C5	C6	121.752
C3	C5	Cl8	119.418	C4	C2	H10	120.255
C4	C6	C5	118.099	C4	C6	H12	120.950
C5	C3	H11	120.255	C5	C6	H12	120.950
C6	C4	Cl7	118.830	C6	C5	Cl8	118.830

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)

using model chemistry: HF/CEP-121G*

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	-0.175
2	C	-0.331
3	C	-0.331
4	C	0.187
5	C	0.187
6	C	-0.393
7	Cl	-0.132
8	Cl	-0.132
9	H	0.252
10	H	0.280
11	H	0.280
12	H	0.306

<r²>	237.555
(<r²>)^1/2	15.413

All results from a given calculation for C6H4Cl2 (1,3-dichlorobenzene)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)