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	hartrees
Energy at 0K	-1148.901293
Energy at 298.15K	-1148.905621
HF Energy	-1148.374938
Nuclear repulsion energy	445.521998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3318	3103	1.77
2	A₁	3312	3097	3.79
3	A₁	3280	3067	4.28
4	A₁	1707	1597	24.48
5	A₁	1519	1421	14.68
6	A₁	1197	1119	9.78
7	A₁	1146	1072	19.75
8	A₁	1060	992	8.44
9	A₁	705	659	2.05
10	A₁	398	372	3.64
11	A₁	194	182	0.93
12	A₂	959	897	0.00
13	A₂	569	532	0.00
14	A₂	213	199	0.00
15	B₁	992	927	0.40
16	B₁	932	872	13.22
17	B₁	831	777	69.46
18	B₁	674	631	13.17
19	B₁	464	434	4.70
20	B₁	174	163	0.00
21	B₂	3304	3090	0.84
22	B₂	1706	1595	71.84
23	B₂	1577	1475	51.41
24	B₂	1398	1308	2.38
25	B₂	1313	1228	0.00
26	B₂	1259	1177	0.05
27	B₂	1165	1089	15.36
28	B₂	799	747	77.70
29	B₂	439	411	5.31
30	B₂	368	344	0.32

Atom	y (Å)	z (Å)
C1	0.000	2.099
C2	1.215	1.405
C3	-1.215	1.405
C4	1.193	0.014
C5	-1.193	0.014
C6	0.000	-0.703
Cl7	2.764	-0.902
Cl8	-2.764	-0.902
H9	0.000	3.182
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		1.3991	1.3991	2.4029	2.4029	2.8026	4.0802	4.0802	1.0827	2.1639	2.1639	3.8829
C2	1.3991		2.4300	1.3919	2.7816	2.4337	2.7792	4.5997	2.1523	1.0813	3.4140	3.4127
C3	1.3991	2.4300		2.7816	1.3919	2.4337	4.5997	2.7792	2.1523	3.4140	1.0813	3.4127
C4	2.4029	1.3919	2.7816		2.3869	1.3923	1.8181	4.0621	3.3856	2.1497	3.8628	2.1575
C5	2.4029	2.7816	1.3919	2.3869		1.3923	4.0621	1.8181	3.3856	3.8628	2.1497	2.1575
C6	2.8026	2.4337	2.4337	1.3923	1.3923		2.7712	2.7712	3.8853	3.4083	3.4083	1.0803
Cl7	4.0802	2.7792	4.5997	1.8181	4.0621	2.7712		5.5282	4.9314	2.9011	5.6809	2.9013
Cl8	4.0802	4.5997	2.7792	4.0621	1.8181	2.7712	5.5282		4.9314	5.6809	2.9011	2.9013
H9	1.0827	2.1523	2.1523	3.3856	3.3856	3.8853	4.9314	4.9314		2.4921	2.4921	4.9656
H10	2.1639	1.0813	3.4140	2.1497	3.8628	3.4083	2.9011	5.6809	2.4921		4.3153	4.2993
H11	2.1639	3.4140	1.0813	3.8628	2.1497	3.4083	5.6809	2.9011	2.4921	4.3153		4.2993
H12	3.8829	3.4127	3.4127	2.1575	2.1575	1.0803	2.9013	2.9013	4.9656	4.2993	4.2993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.843	C1	C2	H10	120.943
C1	C3	C5	118.843	C1	C3	H11	120.943
C2	C1	C3	120.541	C2	C1	H9	119.729
C2	C4	C6	121.884	C2	C4	Cl7	119.358
C3	C1	H9	119.729	C3	C5	C6	121.884
C3	C5	Cl8	119.358	C4	C2	H10	120.213
C4	C6	C5	118.005	C4	C6	H12	120.998
C5	C3	H11	120.213	C5	C6	H12	120.998
C6	C4	Cl7	118.758	C6	C5	Cl8	118.758

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

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

States and conformations

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