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	hartrees
Energy at 0K	-1151.445903
Energy at 298.15K	-1151.450076
HF Energy	-1151.445903
Nuclear repulsion energy	450.838343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	3114	0.50
2	A₁	3230	3103	2.19
3	A₁	3200	3074	5.76
4	A₁	1628	1565	25.72
5	A₁	1452	1395	11.89
6	A₁	1137	1093	17.45
7	A₁	1101	1058	19.71
8	A₁	1011	971	5.53
9	A₁	675	648	2.33
10	A₁	399	383	3.83
11	A₁	198	190	0.48
12	A₂	904	869	0.00
13	A₂	541	520	0.00
14	A₂	205	197	0.00
15	B₁	981	943	0.30
16	B₁	882	848	13.38
17	B₁	787	757	37.14
18	B₁	684	657	9.28
19	B₁	445	428	2.75
20	B₁	169	162	0.00
21	B₂	3226	3099	1.00
22	B₂	1630	1566	73.94
23	B₂	1503	1444	69.91
24	B₂	1345	1293	0.54
25	B₂	1298	1247	2.52
26	B₂	1193	1146	0.26
27	B₂	1105	1061	25.44
28	B₂	786	755	92.34
29	B₂	431	414	5.59
30	B₂	369	355	0.42

Atom	y (Å)	z (Å)
C1	0.000	2.080
C2	1.214	1.393
C3	-1.214	1.393
C4	1.196	-0.001
C5	-1.196	-0.001
C6	0.000	-0.718
Cl7	2.714	-0.885
Cl8	-2.714	-0.885
H9	0.000	3.165
H10	2.158	1.925
H11	-2.158	1.925
H12	0.000	-1.801

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3949	1.3949	2.4001	2.4001	2.7979	4.0196	4.0196	1.0855	2.1636	2.1636	3.8805
C2	1.3949		2.4279	1.3941	2.7840	2.4351	2.7275	4.5408	2.1484	1.0836	3.4137	3.4165
C3	1.3949	2.4279		2.7840	1.3941	2.4351	4.5408	2.7275	2.1484	3.4137	1.0836	3.4165
C4	2.4001	1.3941	2.7840		2.3917	1.3943	1.7569	4.0086	3.3848	2.1529	3.8675	2.1606
C5	2.4001	2.7840	1.3941	2.3917		1.3943	4.0086	1.7569	3.3848	3.8675	2.1529	2.1606
C6	2.7979	2.4351	2.4351	1.3943	1.3943		2.7193	2.7193	3.8834	3.4120	3.4120	1.0827
Cl7	4.0196	2.7275	4.5408	1.7569	4.0086	2.7193		5.4283	4.8757	2.8643	5.6244	2.8645
Cl8	4.0196	4.5408	2.7275	4.0086	1.7569	2.7193	5.4283		4.8757	5.6244	2.8643	2.8645
H9	1.0855	2.1484	2.1484	3.3848	3.3848	3.8834	4.8757	4.8757		2.4893	2.4893	4.9661
H10	2.1636	1.0836	3.4137	2.1529	3.8675	3.4120	2.8643	5.6244	2.4893		4.3162	4.3054
H11	2.1636	3.4137	1.0836	3.8675	2.1529	3.4120	5.6244	2.8643	2.4893	4.3162		4.3054
H12	3.8805	3.4165	3.4165	2.1606	2.1606	1.0827	2.8645	2.8645	4.9661	4.3054	4.3054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.758	C1	C2	H10	121.100
C1	C3	C5	118.758	C1	C3	H11	121.100
C2	C1	C3	120.992	C2	C1	H9	119.504
C2	C4	C6	121.688	C2	C4	Cl7	119.460
C3	C1	H9	119.504	C3	C5	C6	121.688
C3	C5	Cl8	119.460	C4	C2	H10	120.142
C4	C6	C5	118.115	C4	C6	H12	120.943
C5	C3	H11	120.142	C5	C6	H12	120.943
C6	C4	Cl7	118.852	C6	C5	Cl8	118.852

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

using model chemistry: B3LYP/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	-0.082
2	C	-0.066
3	C	-0.066
4	C	-0.094
5	C	-0.094
6	C	-0.052
7	Cl	-0.010
8	Cl	-0.010
9	H	0.108
10	H	0.116
11	H	0.116
12	H	0.133

<r²>	431.088
(<r²>)^1/2	20.763

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

using model chemistry: B3LYP/6-31G**

States and conformations

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