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	hartrees
Energy at 0K	-1135.897035
Energy at 298.15K	-1135.901361
HF Energy	-1135.897035
Nuclear repulsion energy	449.735155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3751	3063	22.04
2	A₁	3745	3057	29.38
3	A₁	3725	3041	2.15
4	A₁	1893	1546	21.20
5	A₁	1674	1367	19.25
6	A₁	1371	1119	21.36
7	A₁	1259	1028	0.32
8	A₁	1144	934	6.01
9	A₁	768	627	2.28
10	A₁	454	371	3.05
11	A₁	206	169	2.86
12	A₂	1107	904	0.00
13	A₂	607	496	0.00
14	A₂	239	195	0.00
15	B₁	1192	974	0.18
16	B₁	1074	877	8.54
17	B₁	944	771	22.55
18	B₁	805	657	4.06
19	B₁	503	410	0.10
20	B₁	191	156	1.95
21	B₂	3744	3057	33.61
22	B₂	1904	1554	47.92
23	B₂	1745	1425	66.19
24	B₂	1492	1218	3.68
25	B₂	1358	1109	0.46
26	B₂	1280	1045	30.84
27	B₂	1145	935	1.02
28	B₂	934	763	55.76
29	B₂	483	394	2.33
30	B₂	388	317	0.22

Atom	y (Å)	z (Å)
C1	0.000	2.080
C2	1.205	1.393
C3	-1.205	1.393
C4	1.190	0.003
C5	-1.190	0.003
C6	0.000	-0.713
Cl7	2.732	-0.887
Cl8	-2.732	-0.887
H9	0.000	3.163
H10	2.148	1.925
H11	-2.148	1.925
H12	0.000	-1.796

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3874	1.3874	2.3937	2.3937	2.7928	4.0334	4.0334	1.0831	2.1534	2.1534	3.8755
C2	1.3874		2.4107	1.3897	2.7696	2.4263	2.7440	4.5500	2.1416	1.0824	3.3952	3.4086
C3	1.3874	2.4107		2.7696	1.3897	2.4263	4.5500	2.7440	2.1416	3.3952	1.0824	3.4086
C4	2.3937	1.3897	2.7696		2.3810	1.3893	1.7803	4.0224	3.3767	2.1472	3.8520	2.1570
C5	2.3937	2.7696	1.3897	2.3810		1.3893	4.0224	1.7803	3.3767	3.8520	2.1472	2.1570
C6	2.7928	2.4263	2.4263	1.3893	1.3893		2.7377	2.7377	3.8760	3.4018	3.4018	1.0826
Cl7	4.0334	2.7440	4.5500	1.7803	4.0224	2.7377		5.4643	4.8856	2.8724	5.6324	2.8792
Cl8	4.0334	4.5500	2.7440	4.0224	1.7803	2.7377	5.4643		4.8856	5.6324	2.8724	2.8792
H9	1.0831	2.1416	2.1416	3.3767	3.3767	3.8760	4.8856	4.8856		2.4790	2.4790	4.9586
H10	2.1534	1.0824	3.3952	2.1472	3.8520	3.4018	2.8724	5.6324	2.4790		4.2957	4.2961
H11	2.1534	3.3952	1.0824	3.8520	2.1472	3.4018	5.6324	2.8724	2.4790	4.2957		4.2961
H12	3.8755	3.4086	3.4086	2.1570	2.1570	1.0826	2.8792	2.8792	4.9586	4.2961	4.2961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.073	C1	C2	H10	120.857
C1	C3	C5	119.073	C1	C3	H11	120.857
C2	C1	C3	120.629	C2	C1	H9	119.686
C2	C4	C6	121.641	C2	C4	Cl7	119.396
C3	C1	H9	119.686	C3	C5	C6	121.641
C3	C5	Cl8	119.396	C4	C2	H10	120.070
C4	C6	C5	117.943	C4	C6	H12	121.029
C5	C3	H11	120.070	C5	C6	H12	121.029
C6	C4	Cl7	118.963	C6	C5	Cl8	118.963

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

using model chemistry: HF/STO-3G

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	-0.047
2	C	-0.051
3	C	-0.051
4	C	0.053
5	C	0.053
6	C	-0.049
7	Cl	-0.140
8	Cl	-0.140
9	H	0.084
10	H	0.092
11	H	0.092
12	H	0.105

<r²>	433.478
(<r²>)^1/2	20.820

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

using model chemistry: HF/STO-3G

States and conformations

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