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	hartrees
Energy at 0K	-1148.904017
Energy at 298.15K	-1148.908346
HF Energy	-1148.374869
Nuclear repulsion energy	445.389261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3317	3110	1.74
2	A₁	3310	3104	3.82
3	A₁	3278	3074	4.33
4	A₁	1705	1599	24.27
5	A₁	1518	1423	14.88
6	A₁	1195	1121	9.75
7	A₁	1144	1073	20.19
8	A₁	1059	993	8.58
9	A₁	704	660	2.14
10	A₁	397	373	3.74
11	A₁	194	182	0.94
12	A₂	963	903	0.00
13	A₂	569	534	0.00
14	A₂	213	200	0.00
15	B₁	995	933	0.36
16	B₁	935	877	13.48
17	B₁	833	781	68.48
18	B₁	677	635	13.85
19	B₁	464	435	4.70
20	B₁	174	163	0.00
21	B₂	3302	3096	0.83
22	B₂	1703	1597	72.12
23	B₂	1576	1478	51.76
24	B₂	1397	1310	2.49
25	B₂	1312	1230	0.00
26	B₂	1258	1179	0.04
27	B₂	1163	1091	15.94
28	B₂	797	747	79.40
29	B₂	439	411	5.51
30	B₂	367	345	0.33

Atom	y (Å)	z (Å)
C1	0.000	2.100
C2	1.215	1.406
C3	-1.215	1.406
C4	1.194	0.014
C5	-1.194	0.014
C6	0.000	-0.704
Cl7	2.765	-0.902
Cl8	-2.765	-0.902
H9	0.000	3.183
H10	2.158	1.935
H11	-2.158	1.935
H12	0.000	-1.784

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3995	1.3995	2.4033	2.4033	2.8035	4.0815	4.0815	1.0827	2.1644	2.1644	3.8839
C2	1.3995		2.4305	1.3922	2.7821	2.4345	2.7802	4.6011	2.1526	1.0813	3.4147	3.4135
C3	1.3995	2.4305		2.7821	1.3922	2.4345	4.6011	2.7802	2.1526	3.4147	1.0813	3.4135
C4	2.4033	1.3922	2.7821		2.3870	1.3926	1.8191	4.0632	3.3861	2.1499	3.8633	2.1579
C5	2.4033	2.7821	1.3922	2.3870		1.3926	4.0632	1.8191	3.3861	3.8633	2.1499	2.1579
C6	2.8035	2.4345	2.4345	1.3926	1.3926		2.7721	2.7721	3.8862	3.4090	3.4090	1.0804
Cl7	4.0815	2.7802	4.6011	1.8191	4.0632	2.7721		5.5300	4.9328	2.9018	5.6823	2.9021
Cl8	4.0815	4.6011	2.7802	4.0632	1.8191	2.7721	5.5300		4.9328	5.6823	2.9018	2.9021
H9	1.0827	2.1526	2.1526	3.3861	3.3861	3.8862	4.9328	4.9328		2.4926	2.4926	4.9666
H10	2.1644	1.0813	3.4147	2.1499	3.8633	3.4090	2.9018	5.6823	2.4926		4.3162	4.3000
H11	2.1644	3.4147	1.0813	3.8633	2.1499	3.4090	5.6823	2.9018	2.4926	4.3162		4.3000
H12	3.8839	3.4135	3.4135	2.1579	2.1579	1.0804	2.9021	2.9021	4.9666	4.3000	4.3000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.836	C1	C2	H10	120.953
C1	C3	C5	118.836	C1	C3	H11	120.953
C2	C1	C3	120.537	C2	C1	H9	119.732
C2	C4	C6	121.907	C2	C4	Cl7	119.348
C3	C1	H9	119.732	C3	C5	C6	121.907
C3	C5	Cl8	119.348	C4	C2	H10	120.211
C4	C6	C5	117.977	C4	C6	H12	121.011
C5	C3	H11	120.211	C5	C6	H12	121.011
C6	C4	Cl7	118.745	C6	C5	Cl8	118.745

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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