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	hartrees
Energy at 0K	-1150.899372
Energy at 298.15K	-1150.903604
HF Energy	-1150.899372
Nuclear repulsion energy	453.154454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3262	3113	0.84
2	A₁	3254	3105	1.30
3	A₁	3226	3079	4.44
4	A₁	1654	1578	26.51
5	A₁	1462	1396	14.82
6	A₁	1159	1106	23.46
7	A₁	1113	1062	12.79
8	A₁	1014	967	5.47
9	A₁	679	648	2.00
10	A₁	408	389	3.28
11	A₁	201	191	0.44
12	A₂	908	867	0.00
13	A₂	547	522	0.00
14	A₂	206	197	0.00
15	B₁	988	942	0.27
16	B₁	885	844	14.60
17	B₁	790	754	41.85
18	B₁	689	657	12.17
19	B₁	446	426	3.59
20	B₁	171	163	0.02
21	B₂	3250	3101	0.45
22	B₂	1657	1581	77.85
23	B₂	1511	1442	76.65
24	B₂	1374	1312	0.06
25	B₂	1298	1239	3.30
26	B₂	1193	1139	0.18
27	B₂	1116	1065	22.55
28	B₂	808	771	88.61
29	B₂	437	417	4.03
30	B₂	374	357	0.33

Atom	y (Å)	z (Å)
C1	0.000	2.071
C2	1.211	1.387
C3	-1.211	1.387
C4	1.194	-0.004
C5	-1.194	-0.004
C6	0.000	-0.718
Cl7	2.696	-0.879
Cl8	-2.696	-0.879
H9	0.000	3.157
H10	2.156	1.918
H11	-2.156	1.918
H12	0.000	-1.801

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3909	1.3909	2.3944	2.3944	2.7895	3.9968	3.9968	1.0855	2.1610	2.1610	3.8726
C2	1.3909		2.4213	1.3909	2.7776	2.4280	2.7093	4.5162	2.1447	1.0839	3.4078	3.4099
C3	1.3909	2.4213		2.7776	1.3909	2.4280	4.5162	2.7093	2.1447	3.4078	1.0839	3.4099
C4	2.3944	1.3909	2.7776		2.3872	1.3908	1.7386	3.9869	3.3789	2.1492	3.8614	2.1573
C5	2.3944	2.7776	1.3909	2.3872		1.3908	3.9869	1.7386	3.3789	3.8614	2.1492	2.1573
C6	2.7895	2.4280	2.4280	1.3908	1.3908		2.7009	2.7009	3.8750	3.4049	3.4049	1.0831
Cl7	3.9968	2.7093	4.5162	1.7386	3.9869	2.7009		5.3921	4.8537	2.8486	5.6000	2.8493
Cl8	3.9968	4.5162	2.7093	3.9869	1.7386	2.7009	5.3921		4.8537	5.6000	2.8486	2.8493
H9	1.0855	2.1447	2.1447	3.3789	3.3789	3.8750	4.8537	4.8537		2.4863	2.4863	4.9581
H10	2.1610	1.0839	3.4078	2.1492	3.8614	3.4049	2.8486	5.6000	2.4863		4.3110	4.2984
H11	2.1610	3.4078	1.0839	3.8614	2.1492	3.4049	5.6000	2.8486	2.4863	4.3110		4.2984
H12	3.8726	3.4099	3.4099	2.1573	2.1573	1.0831	2.8493	2.8493	4.9581	4.2984	4.2984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.793	C1	C2	H10	121.166
C1	C3	C5	118.793	C1	C3	H11	121.166
C2	C1	C3	121.010	C2	C1	H9	119.495
C2	C4	C6	121.584	C2	C4	Cl7	119.514
C3	C1	H9	119.495	C3	C5	C6	121.584
C3	C5	Cl8	119.514	C4	C2	H10	120.041
C4	C6	C5	118.235	C4	C6	H12	120.882
C5	C3	H11	120.041	C5	C6	H12	120.882
C6	C4	Cl7	118.902	C6	C5	Cl8	118.902

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

using model chemistry: HSEh1PBE/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	-0.122
2	C	-0.093
3	C	-0.093
4	C	-0.140
5	C	-0.140
6	C	-0.068
7	Cl	0.020
8	Cl	0.020
9	H	0.144
10	H	0.153
11	H	0.153
12	H	0.168

<r²>	426.478
(<r²>)^1/2	20.651

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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