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	hartrees
Energy at 0K	-1151.034313
Energy at 298.15K	-1151.038434
HF Energy	-1150.615055
Nuclear repulsion energy	451.988235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3243	0.19
2	A₁	3237	3237	4.32
3	A₁	3209	3209	5.81
4	A₁	1626	1626	26.39
5	A₁	1453	1453	14.35
6	A₁	1147	1147	20.41
7	A₁	1104	1104	17.99
8	A₁	1013	1013	4.84
9	A₁	678	678	1.98
10	A₁	403	403	2.95
11	A₁	198	198	0.20
12	A₂	878	878	0.00
13	A₂	528	528	0.00
14	A₂	202	202	0.00
15	B₁	940	940	0.02
16	B₁	848	848	8.57
17	B₁	766	766	65.94
18	B₁	631	631	6.33
19	B₁	439	439	6.03
20	B₁	167	167	0.25
21	B₂	3232	3232	1.89
22	B₂	1628	1628	78.25
23	B₂	1507	1507	72.97
24	B₂	1357	1357	0.38
25	B₂	1308	1308	2.07
26	B₂	1201	1201	0.67
27	B₂	1113	1113	27.79
28	B₂	795	795	88.47
29	B₂	434	434	3.88
30	B₂	370	370	0.72

Atom	y (Å)	z (Å)
C1	0.000	2.077
C2	1.213	1.390
C3	-1.213	1.390
C4	1.195	-0.002
C5	-1.195	-0.002
C6	0.000	-0.716
Cl7	2.705	-0.883
Cl8	-2.705	-0.883
H9	0.000	3.160
H10	2.155	1.921
H11	-2.155	1.921
H12	0.000	-1.798

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3936	1.3936	2.3981	2.3981	2.7930	4.0095	4.0095	1.0838	2.1611	2.1611	3.8744
C2	1.3936		2.4252	1.3923	2.7814	2.4302	2.7189	4.5291	2.1461	1.0822	3.4097	3.4104
C3	1.3936	2.4252		2.7814	1.3923	2.4302	4.5291	2.7189	2.1461	3.4097	1.0822	3.4104
C4	2.3981	1.3923	2.7814		2.3906	1.3923	1.7478	3.9985	3.3811	2.1497	3.8635	2.1568
C5	2.3981	2.7814	1.3923	2.3906		1.3923	3.9985	1.7478	3.3811	3.8635	2.1497	2.1568
C6	2.7930	2.4302	2.4302	1.3923	1.3923		2.7103	2.7103	3.8767	3.4060	3.4060	1.0814
Cl7	4.0095	2.7189	4.5291	1.7478	3.9985	2.7103		5.4103	4.8647	2.8571	5.6113	2.8557
Cl8	4.0095	4.5291	2.7189	3.9985	1.7478	2.7103	5.4103		4.8647	5.6113	2.8571	2.8557
H9	1.0838	2.1461	2.1461	3.3811	3.3811	3.8767	4.8647	4.8647		2.4864	2.4864	4.9582
H10	2.1611	1.0822	3.4097	2.1497	3.8635	3.4060	2.8571	5.6113	2.4864		4.3109	4.2982
H11	2.1611	3.4097	1.0822	3.8635	2.1497	3.4060	5.6113	2.8571	2.4864	4.3109		4.2982
H12	3.8744	3.4104	3.4104	2.1568	2.1568	1.0814	2.8557	2.8557	4.9582	4.2982	4.2982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.817	C1	C2	H10	121.077
C1	C3	C5	118.817	C1	C3	H11	121.077
C2	C1	C3	120.941	C2	C1	H9	119.529
C2	C4	C6	121.561	C2	C4	Cl7	119.534
C3	C1	H9	119.529	C3	C5	C6	121.561
C3	C5	Cl8	119.534	C4	C2	H10	120.106
C4	C6	C5	118.302	C4	C6	H12	120.849
C5	C3	H11	120.106	C5	C6	H12	120.849
C6	C4	Cl7	118.905	C6	C5	Cl8	118.905

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

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

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