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	hartrees
Energy at 0K	-1151.483747
Energy at 298.15K	-1151.487926
HF Energy	-1151.483747
Nuclear repulsion energy	469.183890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3102	4.95
2	A₁	3198	3086	9.38
3	A₁	1605	1549	3.28
4	A₁	1484	1432	60.32
5	A₁	1331	1285	0.63
6	A₁	1180	1139	1.89
7	A₁	1146	1106	49.69
8	A₁	1054	1017	7.19
9	A₁	661	638	16.23
10	A₁	478	462	6.93
11	A₁	195	188	0.01
12	A₂	981	947	0.00
13	A₂	876	845	0.00
14	A₂	711	686	0.00
15	A₂	521	503	0.00
16	A₂	138	133	0.00
17	B₁	947	914	1.51
18	B₁	771	744	49.49
19	B₁	445	429	3.01
20	B₁	235	226	0.45
21	B₂	3211	3098	5.12
22	B₂	3184	3073	1.53
23	B₂	1609	1553	6.48
24	B₂	1457	1406	17.13
25	B₂	1271	1227	3.78
26	B₂	1147	1107	1.94
27	B₂	1031	995	36.74
28	B₂	741	715	20.25
29	B₂	427	412	0.88
30	B₂	331	319	0.11

Atom	y (Å)	z (Å)
C1	0.700	-0.028
C2	-0.700	-0.028
C3	1.395	1.182
C4	-1.395	1.182
C5	0.697	2.386
C6	-0.697	2.386
Cl7	1.597	-1.513
Cl8	-1.597	-1.513
H9	2.478	1.162
H10	-2.478	1.162
H11	1.247	3.321
H12	-1.247	3.321

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3997	1.3953	2.4188	2.4145	2.7895	1.7350	2.7353	2.1396	3.3933	3.3940	3.8742
C2	1.3997		2.4188	1.3953	2.7895	2.4145	2.7353	1.7350	3.3933	2.1396	3.8742	3.3940
C3	1.3953	2.4188		2.7890	1.3917	2.4137	2.7026	4.0266	1.0836	3.8725	2.1446	3.3991
C4	2.4188	1.3953	2.7890		2.4137	1.3917	4.0266	2.7026	3.8725	1.0836	3.3991	2.1446
C5	2.4145	2.7895	1.3917	2.4137		1.3944	4.0018	4.5243	2.1610	3.4030	1.0847	2.1571
C6	2.7895	2.4145	2.4137	1.3917	1.3944		4.5243	4.0018	3.4030	2.1610	2.1571	1.0847
Cl7	1.7350	2.7353	2.7026	4.0266	4.0018	4.5243		3.1946	2.8162	4.8747	4.8472	5.6090
Cl8	2.7353	1.7350	4.0266	2.7026	4.5243	4.0018	3.1946		4.8747	2.8162	5.6090	4.8472
H9	2.1396	3.3933	1.0836	3.8725	2.1610	3.4030	2.8162	4.8747		4.9558	2.4858	4.3054
H10	3.3933	2.1396	3.8725	1.0836	3.4030	2.1610	4.8747	2.8162	4.9558		4.3054	2.4858
H11	3.3940	3.8742	2.1446	3.3991	1.0847	2.1571	4.8472	5.6090	2.4858	4.3054		2.4934
H12	3.8742	3.3940	3.3991	2.1446	2.1571	1.0847	5.6090	4.8472	4.3054	2.4858	2.4934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.857	C1	C2	Cl8	121.150
C1	C3	C5	120.073	C1	C3	H9	118.803
C2	C1	C3	119.857	C2	C1	Cl7	121.150
C2	C4	C6	120.073	C2	C4	H10	118.803
C3	C1	Cl7	118.993	C3	C5	C6	120.070
C3	C5	H11	119.491	C4	C2	Cl8	118.993
C4	C6	C5	120.070	C4	C6	H12	119.491
C5	C3	H9	121.125	C5	C6	H12	120.439
C6	C4	H10	121.125	C6	C5	H11	120.439

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

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	0.118
2	C	0.118
3	C	-0.158
4	C	-0.158
5	C	-0.130
6	C	-0.130
7	Cl	-0.121
8	Cl	-0.121
9	H	0.153
10	H	0.153
11	H	0.137
12	H	0.137

<r²>	360.384
(<r²>)^1/2	18.984

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

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

States and conformations

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