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	hartrees
Energy at 0K	-1150.796542
Energy at 298.15K	-1150.800859
HF Energy	-1150.796542
Nuclear repulsion energy	463.847584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3273	3131	4.78
2	A₁	3254	3113	6.98
3	A₁	1662	1589	3.74
4	A₁	1529	1463	61.06
5	A₁	1393	1332	0.07
6	A₁	1227	1173	0.51
7	A₁	1176	1125	34.12
8	A₁	1082	1035	8.22
9	A₁	683	654	17.22
10	A₁	474	453	10.73
11	A₁	198	189	0.00
12	A₂	1043	997	0.00
13	A₂	913	873	0.00
14	A₂	753	720	0.00
15	A₂	543	520	0.00
16	A₂	140	134	0.00
17	B₁	1000	957	3.42
18	B₁	795	761	82.70
19	B₁	465	445	7.15
20	B₁	239	229	1.04
21	B₂	3267	3125	2.17
22	B₂	3240	3099	1.71
23	B₂	1661	1588	7.72
24	B₂	1501	1435	19.45
25	B₂	1316	1259	2.36
26	B₂	1179	1128	1.22
27	B₂	1061	1015	42.86
28	B₂	754	721	23.85
29	B₂	426	408	1.05
30	B₂	337	322	0.31

Atom	y (Å)	z (Å)
C1	0.696	-0.005
C2	-0.696	-0.005
C3	1.395	1.200
C4	-1.395	1.200
C5	0.698	2.407
C6	-0.698	2.407
Cl7	1.630	-1.537
Cl8	-1.630	-1.537
H9	2.478	1.181
H10	-2.478	1.181
H11	1.247	3.341
H12	-1.247	3.341

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3916	1.3927	2.4129	2.4116	2.7852	1.7942	2.7848	2.1406	3.3880	3.3913	3.8692
C2	1.3916		2.4129	1.3927	2.7852	2.4116	2.7848	1.7942	3.3880	2.1406	3.8692	3.3913
C3	1.3927	2.4129		2.7898	1.3938	2.4158	2.7466	4.0788	1.0831	3.8727	2.1469	3.4006
C4	2.4129	1.3927	2.7898		2.4158	1.3938	4.0788	2.7466	3.8727	1.0831	3.4006	2.1469
C5	2.4116	2.7852	1.3938	2.4158		1.3955	4.0521	4.5791	2.1611	3.4038	1.0839	2.1573
C6	2.7852	2.4116	2.4158	1.3938	1.3955		4.5791	4.0521	3.4038	2.1611	2.1573	1.0839
Cl7	1.7942	2.7848	2.7466	4.0788	4.0521	4.5791		3.2594	2.8472	4.9253	4.8933	5.6630
Cl8	2.7848	1.7942	4.0788	2.7466	4.5791	4.0521	3.2594		4.9253	2.8472	5.6630	4.8933
H9	2.1406	3.3880	1.0831	3.8727	2.1611	3.4038	2.8472	4.9253		4.9556	2.4865	4.3055
H10	3.3880	2.1406	3.8727	1.0831	3.4038	2.1611	4.9253	2.8472	4.9556		4.3055	2.4865
H11	3.3913	3.8692	2.1469	3.4006	1.0839	2.1573	4.8933	5.6630	2.4865	4.3055		2.4931
H12	3.8692	3.3913	3.4006	2.1469	2.1573	1.0839	5.6630	4.8933	4.3055	2.4865	2.4931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.128	C1	C2	Cl8	121.367
C1	C3	C5	119.861	C1	C3	H9	119.146
C2	C1	C3	120.128	C2	C1	Cl7	121.367
C2	C4	C6	119.861	C2	C4	H10	119.146
C3	C1	Cl7	118.505	C3	C5	C6	120.010
C3	C5	H11	119.573	C4	C2	Cl8	118.505
C4	C6	C5	120.010	C4	C6	H12	119.573
C5	C3	H9	120.993	C5	C6	H12	120.416
C6	C4	H10	120.993	C6	C5	H11	120.416

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

using model chemistry: HSEh1PBE/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	-0.273
2	C	-0.273
3	C	-0.120
4	C	-0.120
5	C	-0.154
6	C	-0.154
7	Cl	0.159
8	Cl	0.159
9	H	0.204
10	H	0.204
11	H	0.185
12	H	0.185

<r²>	368.932
(<r²>)^1/2	19.208

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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