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	hartrees
Energy at 0K	-1149.735618
Energy at 298.15K	-1149.739631
HF Energy	-1148.594754
Nuclear repulsion energy	451.631309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3242	3093	0.25
2	A₁	3237	3089	3.45
3	A₁	3209	3061	4.71
4	A₁	1646	1571	22.04
5	A₁	1460	1393	14.30
6	A₁	1168	1114	22.77
7	A₁	1108	1057	9.25
8	A₁	1007	961	4.76
9	A₁	679	648	1.55
10	A₁	408	389	1.97
11	A₁	197	188	0.19
12	A₂	878	837	0.00
13	A₂	508	485	0.00
14	A₂	202	192	0.00
15	B₁	932	889	0.19
16	B₁	841	802	2.76
17	B₁	759	724	67.88
18	B₁	471	449	0.42
19	B₁	426	407	5.53
20	B₁	167	159	0.24
21	B₂	3232	3084	1.38
22	B₂	1652	1576	72.97
23	B₂	1514	1445	59.28
24	B₂	1323	1262	1.59
25	B₂	1255	1197	0.36
26	B₂	1188	1133	1.23
27	B₂	1125	1073	26.06
28	B₂	811	774	70.74
29	B₂	436	416	1.97
30	B₂	368	351	0.44

Atom	y (Å)	z (Å)
C1	0.000	2.081
C2	1.216	1.391
C3	-1.216	1.391
C4	1.200	-0.005
C5	-1.200	-0.005
C6	0.000	-0.719
Cl7	2.704	-0.883
Cl8	-2.704	-0.883
H9	0.000	3.167
H10	2.162	1.923
H11	-2.162	1.923
H12	0.000	-1.803

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3981	1.3981	2.4067	2.4067	2.8000	4.0122	4.0122	1.0864	2.1674	2.1674	3.8841
C2	1.3981		2.4322	1.3965	2.7907	2.4356	2.7178	4.5322	2.1526	1.0848	3.4194	3.4180
C3	1.3981	2.4322		2.7907	1.3965	2.4356	4.5322	2.7178	2.1526	3.4194	1.0848	3.4180
C4	2.4067	1.3965	2.7907		2.4001	1.3963	1.7415	4.0018	3.3920	2.1547	3.8755	2.1616
C5	2.4067	2.7907	1.3965	2.4001		1.3963	4.0018	1.7415	3.3920	3.8755	2.1547	2.1616
C6	2.8000	2.4356	2.4356	1.3963	1.3963		2.7092	2.7092	3.8865	3.4137	3.4137	1.0841
Cl7	4.0122	2.7178	4.5322	1.7415	4.0018	2.7092		5.4086	4.8701	2.8578	5.6170	2.8566
Cl8	4.0122	4.5322	2.7178	4.0018	1.7415	2.7092	5.4086		4.8701	5.6170	2.8578	2.8566
H9	1.0864	2.1526	2.1526	3.3920	3.3920	3.8865	4.8701	4.8701		2.4943	2.4943	4.9706
H10	2.1674	1.0848	3.4194	2.1547	3.8755	3.4137	2.8578	5.6170	2.4943		4.3233	4.3078
H11	2.1674	3.4194	1.0848	3.8755	2.1547	3.4137	5.6170	2.8578	2.4943	4.3233		4.3078
H12	3.8841	3.4180	3.4180	2.1616	2.1616	1.0841	2.8566	2.8566	4.9706	4.3078	4.3078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.902	C1	C2	H10	121.087
C1	C3	C5	118.902	C1	C3	H11	121.087
C2	C1	C3	120.878	C2	C1	H9	119.561
C2	C4	C6	121.404	C2	C4	Cl7	119.604
C3	C1	H9	119.561	C3	C5	C6	121.404
C3	C5	Cl8	119.604	C4	C2	H10	120.011
C4	C6	C5	118.508	C4	C6	H12	120.746
C5	C3	H11	120.011	C5	C6	H12	120.746
C6	C4	Cl7	118.992	C6	C5	Cl8	118.992

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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