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	hartrees
Energy at 0K	-1143.723850
Energy at 298.15K	-1143.728388
HF Energy	-1143.056123
Nuclear repulsion energy	469.134466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3318	3100	4.28
2	A₁	3298	3082	4.08
3	A₁	1669	1560	1.11
4	A₁	1579	1476	56.64
5	A₁	1302	1216	0.07
6	A₁	1223	1143	3.56
7	A₁	1204	1125	26.72
8	A₁	1099	1027	5.91
9	A₁	721	673	13.02
10	A₁	500	468	8.16
11	A₁	213	199	0.00
12	A₂	1042	973	0.00
13	A₂	939	878	0.00
14	A₂	763	713	0.00
15	A₂	559	523	0.00
16	A₂	149	139	0.00
17	B₁	1025	957	3.27
18	B₁	822	768	85.89
19	B₁	482	450	7.69
20	B₁	253	236	1.49
21	B₂	3310	3093	1.53
22	B₂	3285	3069	1.10
23	B₂	1686	1575	3.54
24	B₂	1549	1447	20.00
25	B₂	1372	1282	5.07
26	B₂	1214	1134	4.40
27	B₂	1132	1058	29.34
28	B₂	797	745	16.99
29	B₂	455	425	0.70
30	B₂	359	335	0.34

Atom	y (Å)	z (Å)
C1	0.696	-0.026
C2	-0.696	-0.026
C3	1.389	1.181
C4	-1.389	1.181
C5	0.697	2.386
C6	-0.697	2.386
Cl7	1.603	-1.514
Cl8	-1.603	-1.514
H9	2.467	1.164
H10	-2.467	1.164
H11	1.243	3.316
H12	-1.243	3.316

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3910	1.3921	2.4089	2.4116	2.7846	1.7431	2.7385	2.1339	3.3790	3.3866	3.8635
C2	1.3910		2.4089	1.3921	2.7846	2.4116	2.7385	1.7431	3.3790	2.1339	3.8635	3.3866
C3	1.3921	2.4089		2.7783	1.3895	2.4087	2.7035	4.0272	1.0783	3.8565	2.1401	3.3891
C4	2.4089	1.3921	2.7783		2.4087	1.3895	4.0272	2.7035	3.8565	1.0783	3.3891	2.1401
C5	2.4116	2.7846	1.3895	2.4087		1.3934	4.0037	4.5274	2.1515	3.3919	1.0789	2.1512
C6	2.7846	2.4116	2.4087	1.3895	1.3934		4.5274	4.0037	3.3919	2.1515	2.1512	1.0789
Cl7	1.7431	2.7385	2.7035	4.0272	4.0037	4.5274		3.2067	2.8133	4.8722	4.8435	5.6063
Cl8	2.7385	1.7431	4.0272	2.7035	4.5274	4.0037	3.2067		4.8722	2.8133	5.6063	4.8435
H9	2.1339	3.3790	1.0783	3.8565	2.1515	3.3919	2.8133	4.8722		4.9345	2.4766	4.2894
H10	3.3790	2.1339	3.8565	1.0783	3.3919	2.1515	4.8722	2.8133	4.9345		4.2894	2.4766
H11	3.3866	3.8635	2.1401	3.3891	1.0789	2.1512	4.8435	5.6063	2.4766	4.2894		2.4857
H12	3.8635	3.3866	3.3891	2.1401	2.1512	1.0789	5.6063	4.8435	4.2894	2.4766	2.4857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.886	C1	C2	Cl8	121.387
C1	C3	C5	120.223	C1	C3	H9	118.949
C2	C1	C3	119.886	C2	C1	Cl7	121.387
C2	C4	C6	120.223	C2	C4	H10	118.949
C3	C1	Cl7	118.727	C3	C5	C6	119.891
C3	C5	H11	119.697	C4	C2	Cl8	118.727
C4	C6	C5	119.891	C4	C6	H12	119.697
C5	C3	H9	120.827	C5	C6	H12	120.412
C6	C4	H10	120.827	C6	C5	H11	120.412

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

using model chemistry: CISD/3-21G*

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

using model chemistry: CISD/3-21G*

States and conformations

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