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	hartrees
Energy at 0K	-1149.823314
Energy at 298.15K	-1149.827599
HF Energy	-1148.531235
Nuclear repulsion energy	453.392412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3104	1.55
2	A₁	3272	3099	0.63
3	A₁	3244	3072	3.21
4	A₁	1659	1572	20.07
5	A₁	1471	1393	16.49
6	A₁	1177	1115	18.37
7	A₁	1118	1059	9.51
8	A₁	1021	967	4.74
9	A₁	681	645	1.57
10	A₁	410	389	2.25
11	A₁	200	190	0.53
12	A₂	928	879	0.00
13	A₂	553	523	0.00
14	A₂	209	198	0.00
15	B₁	986	934	0.15
16	B₁	908	860	10.70
17	B₁	812	769	39.33
18	B₁	682	646	7.54
19	B₁	447	424	2.57
20	B₁	172	163	0.00
21	B₂	3267	3095	0.05
22	B₂	1661	1573	60.25
23	B₂	1524	1443	62.32
24	B₂	1332	1262	2.27
25	B₂	1278	1210	0.94
26	B₂	1202	1138	0.41
27	B₂	1131	1072	20.53
28	B₂	816	773	67.81
29	B₂	438	414	2.04
30	B₂	374	354	0.17

Atom	y (Å)	z (Å)
C1	0.000	2.072
C2	1.210	1.385
C3	-1.210	1.385
C4	1.192	-0.004
C5	-1.192	-0.004
C6	0.000	-0.719
Cl7	2.695	-0.879
Cl8	-2.695	-0.879
H9	0.000	3.155
H10	2.154	1.914
H11	-2.154	1.914
H12	0.000	-1.799

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3914	1.3914	2.3942	2.3942	2.7903	3.9957	3.9957	1.0830	2.1594	2.1594	3.8710
C2	1.3914		2.4207	1.3899	2.7758	2.4273	2.7072	4.5139	2.1436	1.0814	3.4053	3.4070
C3	1.3914	2.4207		2.7758	1.3899	2.4273	4.5139	2.7072	2.1436	3.4053	1.0814	3.4070
C4	2.3942	1.3899	2.7758		2.3849	1.3899	1.7381	3.9842	3.3766	2.1459	3.8571	2.1549
C5	2.3942	2.7758	1.3899	2.3849		1.3899	3.9842	1.7381	3.3766	3.8571	2.1459	2.1549
C6	2.7903	2.4273	2.4273	1.3899	1.3899		2.6995	2.6995	3.8732	3.4014	3.4014	1.0807
Cl7	3.9957	2.7072	4.5139	1.7381	3.9842	2.6995		5.3894	4.8506	2.8447	5.5952	2.8477
Cl8	3.9957	4.5139	2.7072	3.9842	1.7381	2.6995	5.3894		4.8506	5.5952	2.8447	2.8477
H9	1.0830	2.1436	2.1436	3.3766	3.3766	3.8732	4.8506	4.8506		2.4853	2.4853	4.9540
H10	2.1594	1.0814	3.4053	2.1459	3.8571	3.4014	2.8447	5.5952	2.4853		4.3073	4.2928
H11	2.1594	3.4053	1.0814	3.8571	2.1459	3.4014	5.5952	2.8447	2.4853	4.3073		4.2928
H12	3.8710	3.4070	3.4070	2.1549	2.1549	1.0807	2.8477	2.8477	4.9540	4.2928	4.2928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.815	C1	C2	H10	121.172
C1	C3	C5	118.815	C1	C3	H11	121.172
C2	C1	C3	120.892	C2	C1	H9	119.554
C2	C4	C6	121.656	C2	C4	Cl7	119.456
C3	C1	H9	119.554	C3	C5	C6	121.656
C3	C5	Cl8	119.456	C4	C2	H10	120.013
C4	C6	C5	118.165	C4	C6	H12	120.917
C5	C3	H11	120.013	C5	C6	H12	120.917
C6	C4	Cl7	118.888	C6	C5	Cl8	118.888

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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