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	hartrees
Energy at 0K	-1150.089597
Energy at 298.15K	-1150.081855
HF Energy	-1148.501529
Nuclear repulsion energy	454.563369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3419	3222	0.18
2	A₁	3411	3214	5.50
3	A₁	3380	3185	7.15
4	A₁	1777	1674	26.86
5	A₁	1573	1482	16.94
6	A₁	1241	1169	23.83
7	A₁	1187	1118	14.06
8	A₁	1089	1026	4.09
9	A₁	728	686	2.46
10	A₁	432	407	3.54
11	A₁	213	201	0.58
12	A₂	1031	972	0.00
13	A₂	600	565	0.00
14	A₂	227	214	0.00
15	B₁	1114	1050	0.39
16	B₁	1010	952	15.88
17	B₁	888	836	45.54
18	B₁	751	708	17.39
19	B₁	488	459	3.71
20	B₁	186	176	0.00
21	B₂	3406	3209	2.45
22	B₂	1784	1681	75.69
23	B₂	1640	1545	68.15
24	B₂	1440	1357	2.34
25	B₂	1313	1237	0.03
26	B₂	1218	1148	11.36
27	B₂	1194	1125	17.58
28	B₂	856	807	88.43
29	B₂	466	439	4.02
30	B₂	399	376	0.42

Atom	y (Å)	z (Å)
C1	0.000	2.075
C2	1.213	1.388
C3	-1.213	1.388
C4	1.196	-0.005
C5	-1.196	-0.005
C6	0.000	-0.719
Cl7	2.697	-0.880
Cl8	-2.697	-0.880
H9	0.000	3.161
H10	2.159	1.920
H11	-2.159	1.920
H12	0.000	-1.804

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3937	1.3937	2.3993	2.3993	2.7934	4.0004	4.0004	1.0866	2.1643	2.1643	3.8785
C2	1.3937		2.4256	1.3933	2.7828	2.4309	2.7105	4.5198	2.1483	1.0854	3.4134	3.4145
C3	1.3937	2.4256		2.7828	1.3933	2.4309	4.5198	2.7105	2.1483	3.4134	1.0854	3.4145
C4	2.3993	1.3933	2.7828		2.3923	1.3928	1.7370	3.9898	3.3848	2.1527	3.8682	2.1601
C5	2.3993	2.7828	1.3933	2.3923		1.3928	3.9898	1.7370	3.3848	3.8682	2.1527	2.1601
C6	2.7934	2.4309	2.4309	1.3928	1.3928		2.7014	2.7014	3.8800	3.4095	3.4095	1.0851
Cl7	4.0004	2.7105	4.5198	1.7370	3.9898	2.7014		5.3930	4.8586	2.8518	5.6051	2.8503
Cl8	4.0004	4.5198	2.7105	3.9898	1.7370	2.7014	5.3930		4.8586	5.6051	2.8518	2.8503
H9	1.0866	2.1483	2.1483	3.3848	3.3848	3.8800	4.8586	4.8586		2.4901	2.4901	4.9651
H10	2.1643	1.0854	3.4134	2.1527	3.8682	3.4095	2.8518	5.6051	2.4901		4.3176	4.3046
H11	2.1643	3.4134	1.0854	3.8682	2.1527	3.4095	5.6051	2.8518	2.4901	4.3176		4.3046
H12	3.8785	3.4145	3.4145	2.1601	2.1601	1.0851	2.8503	2.8503	4.9651	4.3046	4.3046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.902	C1	C2	H10	120.939
C1	C3	C5	118.902	C1	C3	H11	120.939
C2	C1	C3	120.831	C2	C1	H9	119.584
C2	C4	C6	121.504	C2	C4	Cl7	119.522
C3	C1	H9	119.584	C3	C5	C6	121.504
C3	C5	Cl8	119.522	C4	C2	H10	120.160
C4	C6	C5	118.358	C4	C6	H12	120.821
C5	C3	H11	120.160	C5	C6	H12	120.821
C6	C4	Cl7	118.974	C6	C5	Cl8	118.974

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

using model chemistry: G2

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: G2

States and conformations

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