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	hartrees
Energy at 0K	-1147.810325
Energy at 298.15K	-1147.814361
HF Energy	-1147.810325
Nuclear repulsion energy	454.231634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3167	3108	1.76
2	A₁	3161	3102	0.08
3	A₁	3137	3078	2.97
4	A₁	1626	1596	27.31
5	A₁	1431	1404	16.63
6	A₁	1140	1119	25.29
7	A₁	1086	1066	9.25
8	A₁	985	966	6.32
9	A₁	663	651	1.76
10	A₁	402	394	3.06
11	A₁	195	192	0.44
12	A₂	858	842	0.00
13	A₂	532	522	0.00
14	A₂	200	196	0.00
15	B₁	936	918	0.45
16	B₁	839	823	16.84
17	B₁	754	740	41.47
18	B₁	669	657	11.86
19	B₁	434	426	3.62
20	B₁	166	163	0.06
21	B₂	3157	3098	0.00
22	B₂	1628	1598	81.73
23	B₂	1471	1444	87.18
24	B₂	1416	1390	0.66
25	B₂	1248	1225	4.33
26	B₂	1152	1130	0.08
27	B₂	1082	1062	17.74
28	B₂	797	782	87.44
29	B₂	427	419	3.51
30	B₂	362	356	0.19

Atom	y (Å)	z (Å)
C1	0.000	2.067
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	-0.877
Cl8	-2.686	-0.877
H9	0.000	3.162
H10	2.165	1.916
H11	-2.165	1.916
H12	0.000	-1.812

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3888	1.3888	2.3908	2.3908	2.7851	3.9845	3.9845	1.0954	2.1701	2.1701	3.8787
C2	1.3888		2.4180	1.3892	2.7737	2.4246	2.6995	4.5029	2.1508	1.0941	3.4156	3.4163
C3	1.3888	2.4180		2.7737	1.3892	2.4246	4.5029	2.6995	2.1508	3.4156	1.0941	3.4163
C4	2.3908	1.3892	2.7737		2.3836	1.3886	1.7291	3.9741	3.3847	2.1538	3.8677	2.1640
C5	2.3908	2.7737	1.3892	2.3836		1.3886	3.9741	1.7291	3.3847	3.8677	2.1538	2.1640
C6	2.7851	2.4246	2.4246	1.3886	1.3886		2.6903	2.6903	3.8805	3.4095	3.4095	1.0936
Cl7	3.9845	2.6995	4.5029	1.7291	3.9741	2.6903		5.3714	4.8501	2.8404	5.5968	2.8439
Cl8	3.9845	4.5029	2.6995	3.9741	1.7291	2.6903	5.3714		4.8501	5.5968	2.8404	2.8439
H9	1.0954	2.1508	2.1508	3.3847	3.3847	3.8805	4.8501	4.8501		2.4980	2.4980	4.9741
H10	2.1701	1.0941	3.4156	2.1538	3.8677	3.4095	2.8404	5.5968	2.4980		4.3296	4.3107
H11	2.1701	3.4156	1.0941	3.8677	2.1538	3.4095	5.5968	2.8404	2.4980	4.3296		4.3107
H12	3.8787	3.4163	3.4163	2.1640	2.1640	1.0936	2.8439	2.8439	4.9741	4.3107	4.3107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.770	C1	C2	H10	121.402
C1	C3	C5	118.770	C1	C3	H11	121.402
C2	C1	C3	121.042	C2	C1	H9	119.479
C2	C4	C6	121.585	C2	C4	Cl7	119.528
C3	C1	H9	119.479	C3	C5	C6	121.585
C3	C5	Cl8	119.528	C4	C2	H10	119.828
C4	C6	C5	118.250	C4	C6	H12	120.875
C5	C3	H11	119.828	C5	C6	H12	120.875
C6	C4	Cl7	118.888	C6	C5	Cl8	118.888

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	-0.160
2	C	-0.141
3	C	-0.141
4	C	-0.093
5	C	-0.093
6	C	-0.142
7	Cl	0.017
8	Cl	0.017
9	H	0.175
10	H	0.182
11	H	0.182
12	H	0.198

<r²>	424.052
(<r²>)^1/2	20.593

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)