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	hartrees
Energy at 0K	-1148.561129
Energy at 298.15K	-1148.565772
HF Energy	-1148.561129
Nuclear repulsion energy	453.726060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3400	3088	0.58
2	A₁	3391	3079	3.10
3	A₁	3358	3049	5.72
4	A₁	1770	1607	27.58
5	A₁	1555	1412	19.16
6	A₁	1229	1116	24.72
7	A₁	1174	1066	12.85
8	A₁	1081	982	3.87
9	A₁	723	656	2.19
10	A₁	429	390	3.81
11	A₁	211	191	0.52
12	A₂	1015	922	0.00
13	A₂	595	540	0.00
14	A₂	225	204	0.00
15	B₁	1099	998	0.17
16	B₁	994	903	13.81
17	B₁	875	794	40.74
18	B₁	748	680	19.60
19	B₁	484	440	4.23
20	B₁	184	167	0.02
21	B₂	3386	3074	0.97
22	B₂	1776	1613	77.05
23	B₂	1617	1468	74.96
24	B₂	1406	1276	3.04
25	B₂	1296	1177	0.04
26	B₂	1213	1101	4.31
27	B₂	1180	1071	18.88
28	B₂	847	769	87.57
29	B₂	463	421	4.54
30	B₂	395	359	0.44

Atom	y (Å)	z (Å)
C1	0.000	2.067
C2	1.206	1.383
C3	-1.206	1.383
C4	1.189	-0.001
C5	-1.189	-0.001
C6	0.000	-0.712
Cl7	2.696	-0.880
Cl8	-2.696	-0.880
H9	0.000	3.149
H10	2.147	1.914
H11	-2.147	1.914
H12	0.000	-1.790

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3869	1.3869	2.3861	2.3861	2.7790	3.9944	3.9944	1.0813	2.1521	2.1521	3.8572
C2	1.3869		2.4130	1.3848	2.7670	2.4175	2.7093	4.5115	2.1382	1.0794	3.3948	3.3948
C3	1.3869	2.4130		2.7670	1.3848	2.4175	4.5115	2.7093	2.1382	3.3948	1.0794	3.3948
C4	2.3861	1.3848	2.7670		2.3781	1.3850	1.7445	3.9835	3.3670	2.1411	3.8463	2.1477
C5	2.3861	2.7670	1.3848	2.3781		1.3850	3.9835	1.7445	3.3670	3.8463	2.1411	2.1477
C6	2.7790	2.4175	2.4175	1.3850	1.3850		2.7017	2.7017	3.8603	3.3912	3.3912	1.0782
Cl7	3.9944	2.7093	4.5115	1.7445	3.9835	2.7017		5.3930	4.8474	2.8468	5.5908	2.8460
Cl8	3.9944	4.5115	2.7093	3.9835	1.7445	2.7017	5.3930		4.8474	5.5908	2.8468	2.8460
H9	1.0813	2.1382	2.1382	3.3670	3.3670	3.8603	4.8474	4.8474		2.4765	2.4765	4.9385
H10	2.1521	1.0794	3.3948	2.1411	3.8463	3.3912	2.8468	5.5908	2.4765		4.2932	4.2807
H11	2.1521	3.3948	1.0794	3.8463	2.1411	3.3912	5.5908	2.8468	2.4765	4.2932		4.2807
H12	3.8572	3.3948	3.3948	2.1477	2.1477	1.0782	2.8460	2.8460	4.9385	4.2807	4.2807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.829	C1	C2	H10	121.021
C1	C3	C5	118.829	C1	C3	H11	121.021
C2	C1	C3	120.899	C2	C1	H9	119.551
C2	C4	C6	121.572	C2	C4	Cl7	119.500
C3	C1	H9	119.551	C3	C5	C6	121.572
C3	C5	Cl8	119.500	C4	C2	H10	120.150
C4	C6	C5	118.299	C4	C6	H12	120.850
C5	C3	H11	120.150	C5	C6	H12	120.850
C6	C4	Cl7	118.928	C6	C5	Cl8	118.928

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

using model chemistry: HF/cc-pVDZ

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	0.003
2	C	0.086
3	C	0.086
4	C	-0.191
5	C	-0.191
6	C	0.208
7	Cl	-0.089
8	Cl	-0.089
9	H	0.043
10	H	0.042
11	H	0.042
12	H	0.053

<r²>	426.816
(<r²>)^1/2	20.660

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

using model chemistry: HF/cc-pVDZ

States and conformations

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