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	hartrees
Energy at 0K	-1151.346498
Energy at 298.15K	-1151.350750
HF Energy	-1151.346498
Nuclear repulsion energy	469.679064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3218	3100	3.40
2	A₁	3203	3085	5.91
3	A₁	1625	1565	4.56
4	A₁	1493	1438	68.87
5	A₁	1337	1287	1.18
6	A₁	1183	1139	1.61
7	A₁	1154	1111	50.12
8	A₁	1064	1024	8.96
9	A₁	672	647	17.38
10	A₁	485	467	7.37
11	A₁	205	197	0.05
12	A₂	995	959	0.00
13	A₂	867	835	0.00
14	A₂	710	684	0.00
15	A₂	523	503	0.00
16	A₂	135	130	0.00
17	B₁	958	923	1.49
18	B₁	762	734	67.90
19	B₁	449	433	8.69
20	B₁	236	227	2.09
21	B₂	3214	3096	2.48
22	B₂	3190	3072	1.12
23	B₂	1633	1573	9.29
24	B₂	1464	1410	22.34
25	B₂	1275	1228	3.18
26	B₂	1154	1111	1.73
27	B₂	1041	1003	42.72
28	B₂	752	724	21.60
29	B₂	433	417	0.30
30	B₂	341	328	0.57

Atom	y (Å)	z (Å)
C1	0.698	-0.029
C2	-0.698	-0.029
C3	1.389	1.180
C4	-1.389	1.180
C5	0.695	2.382
C6	-0.695	2.382
Cl7	1.601	-1.510
Cl8	-1.601	-1.510
H9	2.472	1.162
H10	-2.472	1.162
H11	1.245	3.316
H12	-1.245	3.316

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3967	1.3918	2.4118	2.4106	2.7845	1.7349	2.7356	2.1363	3.3866	3.3894	3.8686
C2	1.3967		2.4118	1.3918	2.7845	2.4106	2.7356	1.7349	3.3866	2.1363	3.8686	3.3894
C3	1.3918	2.4118		2.7776	1.3878	2.4060	2.6982	4.0221	1.0833	3.8608	2.1414	3.3915
C4	2.4118	1.3918	2.7776		2.4060	1.3878	4.0221	2.6982	3.8608	1.0833	3.3915	2.1414
C5	2.4106	2.7845	1.3878	2.4060		1.3906	3.9960	4.5191	2.1551	3.3940	1.0842	2.1537
C6	2.7845	2.4106	2.4060	1.3878	1.3906		4.5191	3.9960	3.3940	2.1551	2.1537	1.0842
Cl7	1.7349	2.7356	2.6982	4.0221	3.9960	4.5191		3.2029	2.8104	4.8717	4.8395	5.6033
Cl8	2.7356	1.7349	4.0221	2.6982	4.5191	3.9960	3.2029		4.8717	2.8104	5.6033	4.8395
H9	2.1363	3.3866	1.0833	3.8608	2.1551	3.3940	2.8104	4.8717		4.9439	2.4790	4.2962
H10	3.3866	2.1363	3.8608	1.0833	3.3940	2.1551	4.8717	2.8104	4.9439		4.2962	2.4790
H11	3.3894	3.8686	2.1414	3.3915	1.0842	2.1537	4.8395	5.6033	2.4790	4.2962		2.4902
H12	3.8686	3.3894	3.3915	2.1414	2.1537	1.0842	5.6033	4.8395	4.2962	2.4790	2.4902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.741	C1	C2	Cl8	121.369
C1	C3	C5	120.279	C1	C3	H9	118.807
C2	C1	C3	119.741	C2	C1	Cl7	121.369
C2	C4	C6	120.279	C2	C4	H10	118.807
C3	C1	Cl7	118.890	C3	C5	C6	119.980
C3	C5	H11	119.548	C4	C2	Cl8	118.890
C4	C6	C5	119.980	C4	C6	H12	119.548
C5	C3	H9	120.914	C5	C6	H12	120.472
C6	C4	H10	120.914	C6	C5	H11	120.472

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

using model chemistry: B3PW91/6-311G**

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	-0.152
2	C	-0.152
3	C	0.016
4	C	0.016
5	C	-0.096
6	C	-0.096
7	Cl	-0.021
8	Cl	-0.021
9	H	0.136
10	H	0.136
11	H	0.117
12	H	0.117

<r²>	360.450
(<r²>)^1/2	18.986

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

using model chemistry: B3PW91/6-311G**

States and conformations

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