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	hartrees
Energy at 0K	-1150.748388
Energy at 298.15K	-1150.752377
HF Energy	-1150.748388
Nuclear repulsion energy	449.622738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3129	0.56
2	A₁	3164	3120	1.41
3	A₁	3134	3091	4.88
4	A₁	1584	1562	26.28
5	A₁	1409	1390	12.05
6	A₁	1109	1094	20.35
7	A₁	1074	1060	17.37
8	A₁	978	965	6.10
9	A₁	654	646	2.08
10	A₁	391	386	3.63
11	A₁	194	191	0.41
12	A₂	860	848	0.00
13	A₂	523	516	0.00
14	A₂	197	194	0.00
15	B₁	936	923	0.26
16	B₁	837	825	13.70
17	B₁	751	741	38.96
18	B₁	660	651	9.10
19	B₁	429	423	3.24
20	B₁	163	161	0.02
21	B₂	3160	3116	0.71
22	B₂	1585	1563	78.09
23	B₂	1453	1433	75.79
24	B₂	1354	1336	0.01
25	B₂	1255	1238	3.64
26	B₂	1157	1141	0.22
27	B₂	1073	1058	24.96
28	B₂	771	761	93.98
29	B₂	420	414	5.21
30	B₂	361	356	0.37

Atom	y (Å)	z (Å)
C1	0.000	2.087
C2	1.220	1.398
C3	-1.220	1.398
C4	1.202	-0.003
C5	-1.202	-0.003
C6	0.000	-0.724
Cl7	2.717	-0.887
Cl8	-2.717	-0.887
H9	0.000	3.180
H10	2.171	1.933
H11	-2.171	1.933
H12	0.000	-1.815

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4009	1.4009	2.4109	2.4109	2.8103	4.0280	4.0280	1.0936	2.1769	2.1769	3.9012
C2	1.4009		2.4400	1.4014	2.7981	2.4474	2.7316	4.5522	2.1598	1.0917	3.4335	3.4364
C3	1.4009	2.4400		2.7981	1.4014	2.4474	4.5522	2.7316	2.1598	3.4335	1.0917	3.4364
C4	2.4109	1.4014	2.7981		2.4039	1.4013	1.7541	4.0176	3.4028	2.1658	3.8898	2.1738
C5	2.4109	2.7981	1.4014	2.4039		1.4013	4.0176	1.7541	3.4028	3.8898	2.1658	2.1738
C6	2.8103	2.4474	2.4474	1.4013	1.4013		2.7222	2.7222	3.9039	3.4315	3.4315	1.0909
Cl7	4.0280	2.7316	4.5522	1.7541	4.0176	2.7222		5.4346	4.8912	2.8724	5.6439	2.8714
Cl8	4.0280	4.5522	2.7316	4.0176	1.7541	2.7222	5.4346		4.8912	5.6439	2.8724	2.8714
H9	1.0936	2.1598	2.1598	3.4028	3.4028	3.9039	4.8912	4.8912		2.5040	2.5040	4.9948
H10	2.1769	1.0917	3.4335	2.1658	3.8898	3.4315	2.8724	5.6439	2.5040		4.3429	4.3316
H11	2.1769	3.4335	1.0917	3.8898	2.1658	3.4315	5.6439	2.8724	2.5040	4.3429		4.3316
H12	3.9012	3.4364	3.4364	2.1738	2.1738	1.0909	2.8714	2.8714	4.9948	4.3316	4.3316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.703	C1	C2	H10	121.190
C1	C3	C5	118.703	C1	C3	H11	121.190
C2	C1	C3	121.115	C2	C1	H9	119.443
C2	C4	C6	121.676	C2	C4	Cl7	119.502
C3	C1	H9	119.443	C3	C5	C6	121.676
C3	C5	Cl8	119.502	C4	C2	H10	120.106
C4	C6	C5	118.127	C4	C6	H12	120.937
C5	C3	H11	120.106	C5	C6	H12	120.937
C6	C4	Cl7	118.822	C6	C5	Cl8	118.822

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

using model chemistry: PBEPBE/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	-0.099
2	C	-0.071
3	C	-0.071
4	C	-0.123
5	C	-0.123
6	C	-0.052
7	Cl	0.014
8	Cl	0.014
9	H	0.119
10	H	0.126
11	H	0.126
12	H	0.140

<r²>	432.617
(<r²>)^1/2	20.799

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

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

States and conformations

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