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	hartrees
Energy at 0K	-1143.382949
Energy at 298.15K	-1143.387381
HF Energy	-1142.845227
Nuclear repulsion energy	446.306248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3323	3128	3.27
2	A₁	3313	3119	0.79
3	A₁	3281	3089	2.49
4	A₁	1679	1581	27.42
5	A₁	1516	1427	13.62
6	A₁	1196	1126	13.80
7	A₁	1143	1076	18.66
8	A₁	1074	1011	4.60
9	A₁	715	673	1.96
10	A₁	397	374	4.08
11	A₁	188	177	0.96
12	A₂	1000	942	0.00
13	A₂	585	551	0.00
14	A₂	220	208	0.00
15	B₁	1046	985	0.14
16	B₁	995	936	20.36
17	B₁	862	812	45.81
18	B₁	736	693	36.76
19	B₁	478	450	6.19
20	B₁	178	168	0.01
21	B₂	3306	3112	0.03
22	B₂	1675	1577	77.19
23	B₂	1577	1485	42.88
24	B₂	1414	1331	1.98
25	B₂	1299	1222	0.27
26	B₂	1230	1158	0.21
27	B₂	1159	1091	17.85
28	B₂	798	751	75.72
29	B₂	442	416	6.60
30	B₂	357	336	0.28

Atom	y (Å)	z (Å)
C1	0.000	2.095
C2	1.211	1.402
C3	-1.211	1.402
C4	1.186	0.018
C5	-1.186	0.018
C6	0.000	-0.698
Cl7	2.762	-0.902
Cl8	-2.762	-0.902
H9	0.000	3.174
H10	2.153	1.926
H11	-2.153	1.926
H12	0.000	-1.775

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3948	1.3948	2.3916	2.3916	2.7923	4.0756	4.0756	1.0798	2.1595	2.1595	3.8695
C2	1.3948		2.4212	1.3845	2.7674	2.4236	2.7778	4.5927	2.1465	1.0784	3.4041	3.3997
C3	1.3948	2.4212		2.7674	1.3845	2.4236	4.5927	2.7778	2.1465	3.4041	1.0784	3.3997
C4	2.3916	1.3845	2.7674		2.3713	1.3847	1.8254	4.0538	3.3721	2.1397	3.8456	2.1492
C5	2.3916	2.7674	1.3845	2.3713		1.3847	4.0538	1.8254	3.3721	3.8456	2.1397	2.1492
C6	2.7923	2.4236	2.4236	1.3847	1.3847		2.7700	2.7700	3.8721	3.3941	3.3941	1.0772
Cl7	4.0756	2.7778	4.5927	1.8254	4.0538	2.7700		5.5250	4.9242	2.8931	5.6710	2.8972
Cl8	4.0756	4.5927	2.7778	4.0538	1.8254	2.7700	5.5250		4.9242	5.6710	2.8931	2.8972
H9	1.0798	2.1465	2.1465	3.3721	3.3721	3.8721	4.9242	4.9242		2.4886	2.4886	4.9494
H10	2.1595	1.0784	3.4041	2.1397	3.8456	3.3941	2.8931	5.6710	2.4886		4.3059	4.2818
H11	2.1595	3.4041	1.0784	3.8456	2.1397	3.3941	5.6710	2.8931	2.4886	4.3059		4.2818
H12	3.8695	3.3997	3.3997	2.1492	2.1492	1.0772	2.8972	2.8972	4.9494	4.2818	4.2818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.745	C1	C2	H10	121.133
C1	C3	C5	118.745	C1	C3	H11	121.133
C2	C1	C3	120.445	C2	C1	H9	119.777
C2	C4	C6	122.135	C2	C4	Cl7	119.217
C3	C1	H9	119.777	C3	C5	C6	122.135
C3	C5	Cl8	119.217	C4	C2	H10	120.122
C4	C6	C5	117.795	C4	C6	H12	121.103
C5	C3	H11	120.122	C5	C6	H12	121.103
C6	C4	Cl7	118.649	C6	C5	Cl8	118.649

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

using model chemistry: CISD/3-21G

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

using model chemistry: CISD/3-21G

States and conformations

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