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	hartrees
Energy at 0K	-1150.983857
Energy at 298.15K	-1150.988019
HF Energy	-1150.618109
Nuclear repulsion energy	468.410352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3230	3230	4.92
2	A₁	3215	3215	6.07
3	A₁	1616	1616	3.97
4	A₁	1496	1496	63.67
5	A₁	1337	1337	1.26
6	A₁	1189	1189	0.51
7	A₁	1155	1155	47.70
8	A₁	1060	1060	8.28
9	A₁	672	672	15.96
10	A₁	483	483	6.95
11	A₁	205	205	0.05
12	A₂	956	956	0.00
13	A₂	851	851	0.00
14	A₂	622	622	0.00
15	A₂	507	507	0.00
16	A₂	134	134	0.00
17	B₁	937	937	1.15
18	B₁	758	758	66.28
19	B₁	442	442	7.12
20	B₁	232	232	1.86
21	B₂	3225	3225	3.28
22	B₂	3202	3202	1.16
23	B₂	1625	1625	8.49
24	B₂	1466	1466	21.21
25	B₂	1283	1283	3.82
26	B₂	1155	1155	2.49
27	B₂	1043	1043	41.13
28	B₂	752	752	19.99
29	B₂	431	431	0.31
30	B₂	340	340	0.47

Atom	y (Å)	z (Å)
C1	0.700	-0.029
C2	-0.700	-0.029
C3	1.392	1.182
C4	-1.392	1.182
C5	0.697	2.388
C6	-0.697	2.388
Cl7	1.608	-1.514
Cl8	-1.608	-1.514
H9	2.474	1.165
H10	-2.474	1.165
H11	1.246	3.321
H12	-1.246	3.321

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3991	1.3955	2.4173	2.4170	2.7916	1.7406	2.7441	2.1388	3.3909	3.3947	3.8745
C2	1.3991		2.4173	1.3955	2.7916	2.4170	2.7441	1.7406	3.3909	2.1388	3.8745	3.3947
C3	1.3955	2.4173		2.7846	1.3915	2.4124	2.7047	4.0338	1.0821	3.8666	2.1439	3.3967
C4	2.4173	1.3955	2.7846		2.4124	1.3915	4.0338	2.7047	3.8666	1.0821	3.3967	2.1439
C5	2.4170	2.7916	1.3915	2.4124		1.3946	4.0066	4.5319	2.1573	3.3993	1.0829	2.1562
C6	2.7916	2.4170	2.4124	1.3915	1.3946		4.5319	4.0066	3.3993	2.1573	2.1562	1.0829
Cl7	1.7406	2.7441	2.7047	4.0338	4.0066	4.5319		3.2163	2.8150	4.8827	4.8486	5.6148
Cl8	2.7441	1.7406	4.0338	2.7047	4.5319	4.0066	3.2163		4.8827	2.8150	5.6148	4.8486
H9	2.1388	3.3909	1.0821	3.8666	2.1573	3.3993	2.8150	4.8827		4.9485	2.4817	4.3005
H10	3.3909	2.1388	3.8666	1.0821	3.3993	2.1573	4.8827	2.8150	4.9485		4.3005	2.4817
H11	3.3947	3.8745	2.1439	3.3967	1.0829	2.1562	4.8486	5.6148	2.4817	4.3005		2.4927
H12	3.8745	3.3947	3.3967	2.1439	2.1562	1.0829	5.6148	4.8486	4.3005	2.4817	2.4927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.762	C1	C2	Cl8	121.466
C1	C3	C5	120.274	C1	C3	H9	118.826
C2	C1	C3	119.762	C2	C1	Cl7	121.466
C2	C4	C6	120.274	C2	C4	H10	118.826
C3	C1	Cl7	118.772	C3	C5	C6	119.964
C3	C5	H11	119.572	C4	C2	Cl8	118.772
C4	C6	C5	119.964	C4	C6	H12	119.572
C5	C3	H9	120.900	C5	C6	H12	120.465
C6	C4	H10	120.900	C6	C5	H11	120.465

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

using model chemistry: B2PLYP/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	-0.132
2	C	-0.132
3	C	0.012
4	C	0.012
5	C	-0.086
6	C	-0.086
7	Cl	-0.028
8	Cl	-0.028
9	H	0.126
10	H	0.126
11	H	0.108
12	H	0.108

<r²>	362.749
(<r²>)^1/2	19.046

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

using model chemistry: B2PLYP/6-311G**

States and conformations

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