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	hartrees
Energy at 0K	-1147.815751
Energy at 298.15K	-1147.819810
HF Energy	-1147.815751
Nuclear repulsion energy	454.278985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3106	2.22
2	A₁	3160	3101	0.00
3	A₁	3135	3077	2.48
4	A₁	1624	1593	27.29
5	A₁	1425	1399	16.83
6	A₁	1138	1117	26.17
7	A₁	1081	1061	8.38
8	A₁	983	964	6.27
9	A₁	662	650	1.74
10	A₁	402	394	3.05
11	A₁	195	192	0.43
12	A₂	860	844	0.00
13	A₂	533	523	0.00
14	A₂	200	196	0.00
15	B₁	938	921	0.35
16	B₁	839	823	16.11
17	B₁	754	740	39.08
18	B₁	670	657	12.21
19	B₁	434	426	3.64
20	B₁	166	163	0.05
21	B₂	3156	3096	0.05
22	B₂	1626	1595	82.76
23	B₂	1465	1437	87.61
24	B₂	1415	1388	1.13
25	B₂	1238	1215	4.48
26	B₂	1144	1123	0.04
27	B₂	1076	1056	16.59
28	B₂	797	782	87.06
29	B₂	427	419	3.54
30	B₂	363	356	0.19

Atom	y (Å)	z (Å)
C1	0.000	2.066
C2	1.209	1.383
C3	-1.209	1.383
C4	1.192	-0.006
C5	-1.192	-0.006
C6	0.000	-0.718
Cl7	2.686	-0.876
Cl8	-2.686	-0.876
H9	0.000	3.161
H10	2.164	1.915
H11	-2.164	1.915
H12	0.000	-1.811

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3886	1.3886	2.3905	2.3905	2.7848	3.9840	3.9840	1.0948	2.1697	2.1697	3.8779
C2	1.3886		2.4176	1.3891	2.7734	2.4244	2.6993	4.5024	2.1501	1.0936	3.4148	3.4157
C3	1.3886	2.4176		2.7734	1.3891	2.4244	4.5024	2.6993	2.1501	3.4148	1.0936	3.4157
C4	2.3905	1.3891	2.7734		2.3835	1.3885	1.7290	3.9739	3.3839	2.1530	3.8669	2.1635
C5	2.3905	2.7734	1.3891	2.3835		1.3885	3.9739	1.7290	3.3839	3.8669	2.1530	2.1635
C6	2.7848	2.4244	2.4244	1.3885	1.3885		2.6902	2.6902	3.8796	3.4086	3.4086	1.0932
Cl7	3.9840	2.6993	4.5024	1.7290	3.9739	2.6902		5.3712	4.8492	2.8396	5.5959	2.8437
Cl8	3.9840	4.5024	2.6993	3.9739	1.7290	2.6902	5.3712		4.8492	5.5959	2.8396	2.8437
H9	1.0948	2.1501	2.1501	3.3839	3.3839	3.8796	4.8492	4.8492		2.4976	2.4976	4.9728
H10	2.1697	1.0936	3.4148	2.1530	3.8669	3.4086	2.8396	5.5959	2.4976		4.3287	4.3094
H11	2.1697	3.4148	1.0936	3.8669	2.1530	3.4086	5.5959	2.8396	2.4976	4.3287		4.3094
H12	3.8779	3.4157	3.4157	2.1635	2.1635	1.0932	2.8437	2.8437	4.9728	4.3094	4.3094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.773	C1	C2	H10	121.427
C1	C3	C5	118.773	C1	C3	H11	121.427
C2	C1	C3	121.046	C2	C1	H9	119.477
C2	C4	C6	121.578	C2	C4	Cl7	119.529
C3	C1	H9	119.477	C3	C5	C6	121.578
C3	C5	Cl8	119.529	C4	C2	H10	119.800
C4	C6	C5	118.252	C4	C6	H12	120.874
C5	C3	H11	119.800	C5	C6	H12	120.874
C6	C4	Cl7	118.893	C6	C5	Cl8	118.893

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

using model chemistry: LSDA/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	-0.123
2	C	-0.089
3	C	-0.089
4	C	-0.122
5	C	-0.122
6	C	-0.073
7	Cl	0.018
8	Cl	0.018
9	H	0.137
10	H	0.143
11	H	0.143
12	H	0.158

<r²>	424.001
(<r²>)^1/2	20.591

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

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

States and conformations

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