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	hartrees
Energy at 0K	-1150.851053
Energy at 298.15K	-1150.855066
HF Energy	-1150.851053
Nuclear repulsion energy	450.307182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3126	0.56
2	A₁	3148	3119	1.42
3	A₁	3119	3090	4.65
4	A₁	1573	1559	27.50
5	A₁	1400	1388	14.09
6	A₁	1102	1092	22.05
7	A₁	1069	1059	19.10
8	A₁	979	971	6.09
9	A₁	654	648	2.09
10	A₁	390	386	3.46
11	A₁	193	192	0.17
12	A₂	860	852	0.00
13	A₂	524	519	0.00
14	A₂	194	192	0.00
15	B₁	942	934	0.03
16	B₁	836	828	10.80
17	B₁	748	741	39.15
18	B₁	665	659	21.89
19	B₁	429	425	6.56
20	B₁	161	159	0.24
21	B₂	3143	3115	0.66
22	B₂	1573	1559	83.86
23	B₂	1443	1430	83.84
24	B₂	1337	1325	0.03
25	B₂	1250	1239	3.70
26	B₂	1152	1141	0.31
27	B₂	1067	1057	26.48
28	B₂	766	759	99.87
29	B₂	420	416	5.24
30	B₂	361	357	0.82

Atom	y (Å)	z (Å)
C1	0.000	2.083
C2	1.217	1.395
C3	-1.217	1.395
C4	1.199	-0.002
C5	-1.199	-0.002
C6	0.000	-0.721
Cl7	2.714	-0.886
Cl8	-2.714	-0.886
H9	0.000	3.175
H10	2.167	1.930
H11	-2.167	1.930
H12	0.000	-1.810

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3981	1.3981	2.4054	2.4054	2.8038	4.0225	4.0225	1.0920	2.1728	2.1728	3.8931
C2	1.3981		2.4346	1.3977	2.7914	2.4413	2.7283	4.5454	2.1562	1.0901	3.4267	3.4288
C3	1.3981	2.4346		2.7914	1.3977	2.4413	4.5454	2.7283	2.1562	3.4267	1.0901	3.4288
C4	2.4054	1.3977	2.7914		2.3979	1.3978	1.7540	4.0117	3.3960	2.1611	3.8814	2.1692
C5	2.4054	2.7914	1.3977	2.3979		1.3978	4.0117	1.7540	3.3960	3.8814	2.1611	2.1692
C6	2.8038	2.4413	2.4413	1.3978	1.3978		2.7193	2.7193	3.8958	3.4238	3.4238	1.0893
Cl7	4.0225	2.7283	4.5454	1.7540	4.0117	2.7193		5.4285	4.8843	2.8680	5.6354	2.8674
Cl8	4.0225	4.5454	2.7283	4.0117	1.7540	2.7193	5.4285		4.8843	5.6354	2.8680	2.8674
H9	1.0920	2.1562	2.1562	3.3960	3.3960	3.8958	4.8843	4.8843		2.4997	2.4997	4.9851
H10	2.1728	1.0901	3.4267	2.1611	3.8814	3.4238	2.8680	5.6354	2.4997		4.3348	4.3225
H11	2.1728	3.4267	1.0901	3.8814	2.1611	3.4238	5.6354	2.8680	2.4997	4.3348		4.3225
H12	3.8931	3.4288	3.4288	2.1692	2.1692	1.0893	2.8674	2.8674	4.9851	4.3225	4.3225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.710	C1	C2	H10	121.182
C1	C3	C5	118.710	C1	C3	H11	121.182
C2	C1	C3	121.074	C2	C1	H9	119.463
C2	C4	C6	121.686	C2	C4	Cl7	119.488
C3	C1	H9	119.463	C3	C5	C6	121.686
C3	C5	Cl8	119.488	C4	C2	H10	120.108
C4	C6	C5	118.134	C4	C6	H12	120.933
C5	C3	H11	120.108	C5	C6	H12	120.933
C6	C4	Cl7	118.826	C6	C5	Cl8	118.826

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.105
2	C	0.033
3	C	0.033
4	C	-0.263
5	C	-0.263
6	C	0.147
7	Cl	-0.040
8	Cl	-0.040
9	H	0.114
10	H	0.123
11	H	0.123
12	H	0.140

<r²>	432.254
(<r²>)^1/2	20.791

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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