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	hartrees
Energy at 0K	-1149.602323
Energy at 298.15K	-1149.606431
HF Energy	-1148.507761
Nuclear repulsion energy	451.840656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3291	3098	0.23
2	A₁	3287	3094	4.43
3	A₁	3260	3069	5.25
4	A₁	1672	1574	21.37
5	A₁	1481	1395	12.24
6	A₁	1179	1110	18.36
7	A₁	1124	1058	10.70
8	A₁	1019	959	4.78
9	A₁	684	644	1.63
10	A₁	409	385	2.31
11	A₁	200	188	0.47
12	A₂	890	838	0.00
13	A₂	526	495	0.00
14	A₂	205	193	0.00
15	B₁	939	884	0.16
16	B₁	854	804	4.11
17	B₁	774	729	60.51
18	B₁	550	518	0.16
19	B₁	433	407	2.74
20	B₁	170	160	0.02
21	B₂	3281	3089	1.92
22	B₂	1679	1580	64.97
23	B₂	1541	1450	54.23
24	B₂	1347	1268	1.77
25	B₂	1283	1207	0.54
26	B₂	1211	1140	0.55
27	B₂	1139	1072	22.03
28	B₂	815	768	67.62
29	B₂	438	412	2.44
30	B₂	373	351	0.20

Atom	y (Å)	z (Å)
C1	0.000	2.079
C2	1.214	1.391
C3	-1.214	1.391
C4	1.198	-0.004
C5	-1.198	-0.004
C6	0.000	-0.717
Cl7	2.705	-0.883
Cl8	-2.705	-0.883
H9	0.000	3.161
H10	2.155	1.922
H11	-2.155	1.922
H12	0.000	-1.798

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3956	1.3956	2.4030	2.4030	2.7965	4.0112	4.0112	1.0821	2.1610	2.1610	3.8766
C2	1.3956		2.4279	1.3946	2.7862	2.4325	2.7188	4.5307	2.1468	1.0808	3.4108	3.4114
C3	1.3956	2.4279		2.7862	1.3946	2.4325	4.5307	2.7188	2.1468	3.4108	1.0808	3.4114
C4	2.4030	1.3946	2.7862		2.3963	1.3945	1.7445	4.0010	3.3843	2.1503	3.8669	2.1570
C5	2.4030	2.7862	1.3946	2.3963		1.3945	4.0010	1.7445	3.3843	3.8669	2.1503	2.1570
C6	2.7965	2.4325	2.4325	1.3945	1.3945		2.7102	2.7102	3.8786	3.4073	3.4073	1.0801
Cl7	4.0112	2.7188	4.5307	1.7445	4.0010	2.7102		5.4103	4.8653	2.8577	5.6114	2.8556
Cl8	4.0112	4.5307	2.7188	4.0010	1.7445	2.7102	5.4103		4.8653	5.6114	2.8577	2.8556
H9	1.0821	2.1468	2.1468	3.3843	3.3843	3.8786	4.8653	4.8653		2.4863	2.4863	4.9588
H10	2.1610	1.0808	3.4108	2.1503	3.8669	3.4073	2.8577	5.6114	2.4863		4.3105	4.2985
H11	2.1610	3.4108	1.0808	3.8669	2.1503	3.4073	5.6114	2.8577	2.4863	4.3105		4.2985
H12	3.8766	3.4114	3.4114	2.1570	2.1570	1.0801	2.8556	2.8556	4.9588	4.2985	4.2985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.912	C1	C2	H10	121.012
C1	C3	C5	118.912	C1	C3	H11	121.012
C2	C1	C3	120.880	C2	C1	H9	119.560
C2	C4	C6	121.422	C2	C4	Cl7	119.600
C3	C1	H9	119.560	C3	C5	C6	121.422
C3	C5	Cl8	119.600	C4	C2	H10	120.076
C4	C6	C5	118.453	C4	C6	H12	120.774
C5	C3	H11	120.076	C5	C6	H12	120.774
C6	C4	Cl7	118.978	C6	C5	Cl8	118.978

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

using model chemistry: QCISD/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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All results from a given calculation for C6H4Cl2 (1,3-dichlorobenzene)

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

States and conformations

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