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	hartrees
Energy at 0K	-1151.418753
Energy at 298.15K	-1151.423018
HF Energy	-1151.418753
Nuclear repulsion energy	470.591959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3112	4.56
2	A₁	3244	3098	7.24
3	A₁	1655	1580	4.23
4	A₁	1519	1450	65.28
5	A₁	1360	1299	1.08
6	A₁	1196	1142	2.92
7	A₁	1175	1122	45.73
8	A₁	1079	1030	6.73
9	A₁	672	642	17.57
10	A₁	489	467	6.62
11	A₁	217	207	0.01
12	A₂	996	951	0.00
13	A₂	874	834	0.00
14	A₂	709	677	0.00
15	A₂	524	500	0.00
16	A₂	139	133	0.00
17	B₁	957	914	2.01
18	B₁	769	734	59.46
19	B₁	449	429	4.02
20	B₁	238	228	0.74
21	B₂	3255	3108	3.97
22	B₂	3232	3086	1.18
23	B₂	1666	1591	7.72
24	B₂	1484	1417	18.63
25	B₂	1289	1231	3.00
26	B₂	1167	1114	1.85
27	B₂	1046	999	40.01
28	B₂	755	721	18.45
29	B₂	436	416	0.48
30	B₂	339	324	0.16

Atom	y (Å)	z (Å)
C1	0.698	-0.030
C2	-0.698	-0.030
C3	1.387	1.177
C4	-1.387	1.177
C5	0.695	2.378
C6	-0.695	2.378
Cl7	1.597	-1.507
Cl8	-1.597	-1.507
H9	2.470	1.159
H10	-2.470	1.159
H11	1.244	3.312
H12	-1.244	3.312

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3954	1.3905	2.4095	2.4083	2.7818	1.7288	2.7285	2.1345	3.3837	3.3866	3.8654
C2	1.3954		2.4095	1.3905	2.7818	2.4083	2.7285	1.7288	3.3837	2.1345	3.8654	3.3866
C3	1.3905	2.4095		2.7749	1.3864	2.4036	2.6921	4.0136	1.0828	3.8577	2.1397	3.3886
C4	2.4095	1.3905	2.7749		2.4036	1.3864	4.0136	2.6921	3.8577	1.0828	3.3886	2.1397
C5	2.4083	2.7818	1.3864	2.4036		1.3893	3.9882	4.5103	2.1537	3.3915	1.0836	2.1519
C6	2.7818	2.4083	2.4036	1.3864	1.3893		4.5103	3.9882	3.3915	2.1537	2.1519	1.0836
Cl7	1.7288	2.7285	2.6921	4.0136	3.9882	4.5103		3.1934	2.8053	4.8627	4.8318	5.5939
Cl8	2.7285	1.7288	4.0136	2.6921	4.5103	3.9882	3.1934		4.8627	2.8053	5.5939	4.8318
H9	2.1345	3.3837	1.0828	3.8577	2.1537	3.3915	2.8053	4.8627		4.9403	2.4777	4.2931
H10	3.3837	2.1345	3.8577	1.0828	3.3915	2.1537	4.8627	2.8053	4.9403		4.2931	2.4777
H11	3.3866	3.8654	2.1397	3.3886	1.0836	2.1519	4.8318	5.5939	2.4777	4.2931		2.4880
H12	3.8654	3.3866	3.3886	2.1397	2.1519	1.0836	5.5939	4.8318	4.2931	2.4777	2.4880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.740	C1	C2	Cl8	121.335
C1	C3	C5	120.279	C1	C3	H9	118.782
C2	C1	C3	119.740	C2	C1	Cl7	121.335
C2	C4	C6	120.279	C2	C4	H10	118.782
C3	C1	Cl7	118.925	C3	C5	C6	119.981
C3	C5	H11	119.557	C4	C2	Cl8	118.925
C4	C6	C5	119.981	C4	C6	H12	119.557
C5	C3	H9	120.939	C5	C6	H12	120.462
C6	C4	H10	120.939	C6	C5	H11	120.462

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

using model chemistry: B1B95/6-31G**

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	-0.109
2	C	-0.109
3	C	-0.143
4	C	-0.143
5	C	-0.151
6	C	-0.151
7	Cl	0.040
8	Cl	0.040
9	H	0.190
10	H	0.190
11	H	0.174
12	H	0.174

<r²>	358.483
(<r²>)^1/2	18.934

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

using model chemistry: B1B95/6-31G**

States and conformations

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