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	hartrees
Energy at 0K	-1138.580516
Energy at 298.15K	-1138.584226
HF Energy	-1138.580516
Nuclear repulsion energy	442.885272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3484	3109	0.06
2	A₁	3483	3108	45.62
3	A₁	3460	3088	1.49
4	A₁	1697	1514	25.59
5	A₁	1517	1354	16.11
6	A₁	1232	1099	20.22
7	A₁	1147	1023	1.20
8	A₁	1042	930	4.05
9	A₁	699	624	1.49
10	A₁	409	365	2.83
11	A₁	186	166	1.85
12	A₂	959	856	0.00
13	A₂	535	478	0.00
14	A₂	211	188	0.00
15	B₁	1040	928	0.21
16	B₁	926	826	10.23
17	B₁	822	734	30.81
18	B₁	707	631	3.85
19	B₁	446	398	0.59
20	B₁	168	150	0.74
21	B₂	3477	3103	29.07
22	B₂	1702	1519	55.45
23	B₂	1577	1407	74.75
24	B₂	1360	1214	3.20
25	B₂	1309	1168	0.24
26	B₂	1237	1104	0.02
27	B₂	1154	1029	28.13
28	B₂	845	754	51.48
29	B₂	438	390	2.92
30	B₂	349	312	0.06

Atom	y (Å)	z (Å)
C1	0.000	2.112
C2	1.226	1.416
C3	-1.226	1.416
C4	1.209	0.003
C5	-1.209	0.003
C6	0.000	-0.728
Cl7	2.772	-0.901
Cl8	-2.772	-0.901
H9	0.000	3.211
H10	2.182	1.955
H11	-2.182	1.955
H12	0.000	-1.825

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4096	1.4096	2.4305	2.4305	2.8397	4.0945	4.0945	1.0989	2.1881	2.1881	3.9374
C2	1.4096		2.4517	1.4129	2.8147	2.4694	2.7858	4.6211	2.1736	1.0979	3.4506	3.4654
C3	1.4096	2.4517		2.8147	1.4129	2.4694	4.6211	2.7858	2.1736	3.4506	1.0979	3.4654
C4	2.4305	1.4129	2.8147		2.4172	1.4124	1.8064	4.0823	3.4278	2.1810	3.9125	2.1919
C5	2.4305	2.8147	1.4129	2.4172		1.4124	4.0823	1.8064	3.4278	3.9125	2.1810	2.1919
C6	2.8397	2.4694	2.4694	1.4124	1.4124		2.7777	2.7777	3.9386	3.4581	3.4581	1.0977
Cl7	4.0945	2.7858	4.6211	1.8064	4.0823	2.7777		5.5445	4.9593	2.9162	5.7189	2.9223
Cl8	4.0945	4.6211	2.7858	4.0823	1.8064	2.7777	5.5445		4.9593	5.7189	2.9162	2.9223
H9	1.0989	2.1736	2.1736	3.4278	3.4278	3.9386	4.9593	4.9593		2.5181	2.5181	5.0363
H10	2.1881	1.0979	3.4506	2.1810	3.9125	3.4581	2.9162	5.7189	2.5181		4.3649	4.3649
H11	2.1881	3.4506	1.0979	3.9125	2.1810	3.4581	5.7189	2.9162	2.5181	4.3649		4.3649
H12	3.9374	3.4654	3.4654	2.1919	2.1919	1.0977	2.9223	2.9223	5.0363	4.3649	4.3649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.886	C1	C2	H10	121.027
C1	C3	C5	118.886	C1	C3	H11	121.027
C2	C1	C3	120.828	C2	C1	H9	119.586
C2	C4	C6	121.865	C2	C4	Cl7	119.345
C3	C1	H9	119.586	C3	C5	C6	121.865
C3	C5	Cl8	119.345	C4	C2	H10	120.087
C4	C6	C5	117.670	C4	C6	H12	121.165
C5	C3	H11	120.087	C5	C6	H12	121.165
C6	C4	Cl7	118.791	C6	C5	Cl8	118.791

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

using model chemistry: B3LYP/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	-0.064
2	C	-0.070
3	C	-0.070
4	C	0.034
5	C	0.034
6	C	-0.068
7	Cl	-0.109
8	Cl	-0.109
9	H	0.098
10	H	0.104
11	H	0.104
12	H	0.116

<r²>	444.824
(<r²>)^1/2	21.091

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

using model chemistry: B3LYP/STO-3G

States and conformations

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