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	hartrees
Energy at 0K	-1151.556186
Energy at 298.15K	-1151.560348
HF Energy	-1151.556186
Nuclear repulsion energy	468.421876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3093	7.80
2	A₁	3194	3077	13.26
3	A₁	1613	1554	3.76
4	A₁	1494	1439	62.68
5	A₁	1330	1281	0.80
6	A₁	1188	1145	0.59
7	A₁	1144	1102	55.33
8	A₁	1056	1017	10.42
9	A₁	664	640	18.11
10	A₁	477	460	8.29
11	A₁	201	194	0.05
12	A₂	980	944	0.00
13	A₂	859	827	0.00
14	A₂	698	672	0.00
15	A₂	516	497	0.00
16	A₂	135	130	0.00
17	B₁	943	908	1.40
18	B₁	758	730	68.72
19	B₁	444	428	7.97
20	B₁	233	224	2.03
21	B₂	3207	3089	10.27
22	B₂	3180	3063	2.00
23	B₂	1619	1560	8.90
24	B₂	1468	1414	20.13
25	B₂	1282	1235	3.91
26	B₂	1152	1109	2.18
27	B₂	1035	996	43.62
28	B₂	742	714	24.16
29	B₂	427	411	0.50
30	B₂	334	322	0.53

Atom	y (Å)	z (Å)
C1	0.700	-0.027
C2	-0.700	-0.027
C3	1.393	1.183
C4	-1.393	1.183
C5	0.697	2.388
C6	-0.697	2.388
Cl7	1.605	-1.515
Cl8	-1.605	-1.515
H9	2.477	1.166
H10	-2.477	1.166
H11	1.247	3.323
H12	-1.247	3.323

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3993	1.3952	2.4179	2.4154	2.7902	1.7416	2.7430	2.1405	3.3932	3.3948	3.8749
C2	1.3993		2.4179	1.3952	2.7902	2.4154	2.7430	1.7416	3.3932	2.1405	3.8749	3.3948
C3	1.3952	2.4179		2.7869	1.3916	2.4130	2.7067	4.0337	1.0836	3.8704	2.1449	3.3988
C4	2.4179	1.3952	2.7869		2.4130	1.3916	4.0337	2.7067	3.8704	1.0836	3.3988	2.1449
C5	2.4154	2.7902	1.3916	2.4130		1.3945	4.0075	4.5316	2.1591	3.4014	1.0847	2.1575
C6	2.7902	2.4154	2.4130	1.3916	1.3945		4.5316	4.0075	3.4014	2.1591	2.1575	1.0847
Cl7	1.7416	2.7430	2.7067	4.0337	4.0075	4.5316		3.2095	2.8192	4.8834	4.8515	5.6163
Cl8	2.7430	1.7416	4.0337	2.7067	4.5316	4.0075	3.2095		4.8834	2.8192	5.6163	4.8515
H9	2.1405	3.3932	1.0836	3.8704	2.1591	3.4014	2.8192	4.8834		4.9538	2.4832	4.3038
H10	3.3932	2.1405	3.8704	1.0836	3.4014	2.1591	4.8834	2.8192	4.9538		4.3038	2.4832
H11	3.3948	3.8749	2.1449	3.3988	1.0847	2.1575	4.8515	5.6163	2.4832	4.3038		2.4943
H12	3.8749	3.3948	3.3988	2.1449	2.1575	1.0847	5.6163	4.8515	4.3038	2.4832	2.4943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.820	C1	C2	Cl8	121.312
C1	C3	C5	120.160	C1	C3	H9	118.896
C2	C1	C3	119.820	C2	C1	Cl7	121.312
C2	C4	C6	120.160	C2	C4	H10	118.896
C3	C1	Cl7	118.868	C3	C5	C6	120.020
C3	C5	H11	119.517	C4	C2	Cl8	118.868
C4	C6	C5	120.020	C4	C6	H12	119.517
C5	C3	H9	120.944	C5	C6	H12	120.464
C6	C4	H10	120.944	C6	C5	H11	120.464

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)

using model chemistry: TPSSh/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	-0.097
2	C	-0.097
3	C	-0.104
4	C	-0.104
5	C	-0.176
6	C	-0.176
7	Cl	-0.040
8	Cl	-0.040
9	H	0.220
10	H	0.220
11	H	0.196
12	H	0.196

<r²>	362.222
(<r²>)^1/2	19.032

All results from a given calculation for C6H4Cl2 (1,2-dichlorobenzene)

using model chemistry: TPSSh/6-311G*

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)