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	hartrees
Energy at 0K	-1151.385457
Energy at 298.15K	-1151.389714
HF Energy	-1151.385457
Nuclear repulsion energy	470.165951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3230	3230	4.78
2	A₁	3215	3215	1.94
3	A₁	1659	1659	4.88
4	A₁	1521	1521	66.64
5	A₁	1318	1318	1.24
6	A₁	1191	1191	2.81
7	A₁	1173	1173	43.32
8	A₁	1080	1080	7.60
9	A₁	676	676	18.04
10	A₁	488	488	7.21
11	A₁	211	211	0.02
12	A₂	1010	1010	0.00
13	A₂	882	882	0.00
14	A₂	713	713	0.00
15	A₂	523	523	0.00
16	A₂	133	133	0.00
17	B₁	971	971	1.65
18	B₁	771	771	74.82
19	B₁	449	449	8.42
20	B₁	229	229	2.38
21	B₂	3222	3222	1.40
22	B₂	3206	3206	0.54
23	B₂	1669	1669	8.61
24	B₂	1484	1484	22.37
25	B₂	1293	1293	2.79
26	B₂	1167	1167	1.84
27	B₂	1046	1046	41.56
28	B₂	757	757	20.11
29	B₂	435	435	0.18
30	B₂	342	342	0.56

Atom	y (Å)	z (Å)
C1	0.697	-0.027
C2	-0.697	-0.027
C3	1.389	1.179
C4	-1.389	1.179
C5	0.695	2.381
C6	-0.695	2.381
Cl7	1.596	-1.510
Cl8	-1.596	-1.510
H9	2.471	1.160
H10	-2.471	1.160
H11	1.244	3.315
H12	-1.244	3.315

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3935	1.3906	2.4091	2.4078	2.7813	1.7345	2.7305	2.1348	3.3830	3.3862	3.8645
C2	1.3935		2.4091	1.3906	2.7813	2.4078	2.7305	1.7345	3.3830	2.1348	3.8645	3.3862
C3	1.3906	2.4091		2.7772	1.3873	2.4054	2.6976	4.0175	1.0829	3.8599	2.1402	3.3900
C4	2.4091	1.3906	2.7772		2.4054	1.3873	4.0175	2.6976	3.8599	1.0829	3.3900	2.1402
C5	2.4078	2.7813	1.3873	2.4054		1.3905	3.9941	4.5155	2.1553	3.3938	1.0833	2.1526
C6	2.7813	2.4078	2.4054	1.3873	1.3905		4.5155	3.9941	3.3938	2.1553	2.1526	1.0833
Cl7	1.7345	2.7305	2.6976	4.0175	3.9941	4.5155		3.1914	2.8100	4.8652	4.8378	5.5988
Cl8	2.7305	1.7345	4.0175	2.6976	4.5155	3.9941	3.1914		4.8652	2.8100	5.5988	4.8378
H9	2.1348	3.3830	1.0829	3.8599	2.1553	3.3938	2.8100	4.8652		4.9426	2.4797	4.2953
H10	3.3830	2.1348	3.8599	1.0829	3.3938	2.1553	4.8652	2.8100	4.9426		4.2953	2.4797
H11	3.3862	3.8645	2.1402	3.3900	1.0833	2.1526	4.8378	5.5988	2.4797	4.2953		2.4887
H12	3.8645	3.3862	3.3900	2.1402	2.1526	1.0833	5.5988	4.8378	4.2953	2.4797	2.4887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.836	C1	C2	Cl8	121.215
C1	C3	C5	120.178	C1	C3	H9	118.803
C2	C1	C3	119.836	C2	C1	Cl7	121.215
C2	C4	C6	120.178	C2	C4	H10	118.803
C3	C1	Cl7	118.949	C3	C5	C6	119.987
C3	C5	H11	119.555	C4	C2	Cl8	118.949
C4	C6	C5	119.987	C4	C6	H12	119.555
C5	C3	H9	121.019	C5	C6	H12	120.458
C6	C4	H10	121.019	C6	C5	H11	120.458

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

using model chemistry: M06-2X/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	-0.136
2	C	-0.136
3	C	-0.140
4	C	-0.140
5	C	-0.216
6	C	-0.216
7	Cl	-0.005
8	Cl	-0.005
9	H	0.261
10	H	0.261
11	H	0.236
12	H	0.236

<r²>	360.000
(<r²>)^1/2	18.974

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

using model chemistry: M06-2X/6-311G*

States and conformations

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