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	hartrees
Energy at 0K	-1149.658618
Energy at 298.15K	-1149.662796
HF Energy	-1148.558465
Nuclear repulsion energy	449.287850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3121	0.33
2	A₁	3249	3117	2.73
3	A₁	3218	3088	4.50
4	A₁	1652	1585	21.31
5	A₁	1455	1396	13.94
6	A₁	1166	1118	20.08
7	A₁	1103	1058	9.02
8	A₁	1009	968	3.82
9	A₁	674	647	1.44
10	A₁	405	389	2.42
11	A₁	197	189	0.42
12	A₂	907	870	0.00
13	A₂	535	513	0.00
14	A₂	205	197	0.00
15	B₁	971	932	0.01
16	B₁	877	841	7.37
17	B₁	784	753	48.58
18	B₁	634	609	5.10
19	B₁	437	420	3.54
20	B₁	169	162	0.08
21	B₂	3243	3112	1.02
22	B₂	1658	1591	64.55
23	B₂	1509	1448	58.08
24	B₂	1316	1262	1.48
25	B₂	1267	1216	1.71
26	B₂	1179	1131	0.54
27	B₂	1115	1070	18.05
28	B₂	804	772	65.68
29	B₂	433	416	2.49
30	B₂	367	352	0.18

Atom	y (Å)	z (Å)
C1	0.000	2.091
C2	1.222	1.398
C3	-1.222	1.398
C4	1.206	-0.005
C5	-1.206	-0.005
C6	0.000	-0.723
Cl7	2.718	-0.887
Cl8	-2.718	-0.887
H9	0.000	3.186
H10	2.175	1.935
H11	-2.175	1.935
H12	0.000	-1.815

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4046	1.4046	2.4179	2.4179	2.8134	4.0320	4.0320	1.0954	2.1805	2.1805	3.9061
C2	1.4046		2.4444	1.4035	2.8045	2.4480	2.7318	4.5554	2.1655	1.0936	3.4393	3.4384
C3	1.4046	2.4444		2.8045	1.4035	2.4480	4.5554	2.7318	2.1655	3.4393	1.0936	3.4384
C4	2.4179	1.4035	2.8045		2.4119	1.4033	1.7509	4.0221	3.4113	2.1687	3.8980	2.1753
C5	2.4179	2.8045	1.4035	2.4119		1.4033	4.0221	1.7509	3.4113	3.8980	2.1687	2.1753
C6	2.8134	2.4480	2.4480	1.4033	1.4033		2.7232	2.7232	3.9088	3.4344	3.4344	1.0928
Cl7	4.0320	2.7318	4.5554	1.7509	4.0221	2.7232		5.4364	4.8971	2.8744	5.6489	2.8723
Cl8	4.0320	4.5554	2.7318	4.0221	1.7509	2.7232	5.4364		4.8971	5.6489	2.8744	2.8723
H9	1.0954	2.1655	2.1655	3.4113	3.4113	3.9088	4.8971	4.8971		2.5090	2.5090	5.0015
H10	2.1805	1.0936	3.4393	2.1687	3.8980	3.4344	2.8744	5.6489	2.5090		4.3498	4.3356
H11	2.1805	3.4393	1.0936	3.8980	2.1687	3.4344	5.6489	2.8744	2.5090	4.3498		4.3356
H12	3.9061	3.4384	3.4384	2.1753	2.1753	1.0928	2.8723	2.8723	5.0015	4.3356	4.3356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.864	C1	C2	H10	121.073
C1	C3	C5	118.864	C1	C3	H11	121.073
C2	C1	C3	120.944	C2	C1	H9	119.528
C2	C4	C6	121.423	C2	C4	Cl7	119.598
C3	C1	H9	119.528	C3	C5	C6	121.423
C3	C5	Cl8	119.598	C4	C2	H10	120.063
C4	C6	C5	118.482	C4	C6	H12	120.759
C5	C3	H11	120.063	C5	C6	H12	120.759
C6	C4	Cl7	118.979	C6	C5	Cl8	118.979

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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