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	hartrees
Energy at 0K	-1149.028514
Energy at 298.15K	-1149.032551
HF Energy	-1148.364896
Nuclear repulsion energy	457.070862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3075	8.51
2	A₁	3170	3055	9.83
3	A₁	1620	1561	2.43
4	A₁	1512	1457	39.46
5	A₁	1270	1224	0.20
6	A₁	1211	1167	0.01
7	A₁	1152	1110	19.98
8	A₁	1054	1015	5.96
9	A₁	670	645	12.71
10	A₁	451	435	7.76
11	A₁	193	186	0.00
12	A₂	894	861	0.00
13	A₂	851	820	0.00
14	A₂	647	624	0.00
15	A₂	506	487	0.00
16	A₂	134	129	0.00
17	B₁	909	876	3.41
18	B₁	759	731	72.32
19	B₁	446	430	5.94
20	B₁	230	222	0.76
21	B₂	3185	3069	5.97
22	B₂	3155	3040	2.17
23	B₂	1623	1564	5.85
24	B₂	1479	1425	14.48
25	B₂	1308	1261	2.42
26	B₂	1160	1118	1.92
27	B₂	1050	1012	36.97
28	B₂	736	709	17.32
29	B₂	411	397	0.87
30	B₂	327	315	0.16

Atom	y (Å)	z (Å)
C1	0.702	-0.001
C2	-0.702	-0.001
C3	1.409	1.217
C4	-1.409	1.217
C5	0.706	2.439
C6	-0.706	2.439
Cl7	1.664	-1.559
Cl8	-1.664	-1.559
H9	2.500	1.198
H10	-2.500	1.198
H11	1.261	3.381
H12	-1.261	3.381

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4032	1.4084	2.4368	2.4402	2.8172	1.8318	2.8330	2.1615	3.4189	3.4277	3.9098
C2	1.4032		2.4368	1.4084	2.8172	2.4402	2.8330	1.8318	3.4189	2.1615	3.9098	3.4277
C3	1.4084	2.4368		2.8182	1.4101	2.4432	2.7879	4.1416	1.0914	3.9095	2.1692	3.4366
C4	2.4368	1.4084	2.8182		2.4432	1.4101	4.1416	2.7879	3.9095	1.0914	3.4366	2.1692
C5	2.4402	2.8172	1.4101	2.4432		1.4125	4.1119	4.6486	2.1818	3.4386	1.0926	2.1806
C6	2.8172	2.4402	2.4432	1.4101	1.4125		4.6486	4.1119	3.4386	2.1818	2.1806	1.0926
Cl7	1.8318	2.8330	2.7879	4.1416	4.1119	4.6486		3.3285	2.8810	4.9945	4.9568	5.7412
Cl8	2.8330	1.8318	4.1416	2.7879	4.6486	4.1119	3.3285		4.9945	2.8810	5.7412	4.9568
H9	2.1615	3.4189	1.0914	3.9095	2.1818	3.4386	2.8810	4.9945		5.0007	2.5108	4.3486
H10	3.4189	2.1615	3.9095	1.0914	3.4386	2.1818	4.9945	2.8810	5.0007		4.3486	2.5108
H11	3.4277	3.9098	2.1692	3.4366	1.0926	2.1806	4.9568	5.7412	2.5108	4.3486		2.5210
H12	3.9098	3.4277	3.4366	2.1692	2.1806	1.0926	5.7412	4.9568	4.3486	2.5108	2.5210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.157	C1	C2	Cl8	121.704
C1	C3	C5	119.947	C1	C3	H9	119.151
C2	C1	C3	120.157	C2	C1	Cl7	121.704
C2	C4	C6	119.947	C2	C4	H10	119.151
C3	C1	Cl7	118.140	C3	C5	C6	119.896
C3	C5	H11	119.623	C4	C2	Cl8	118.140
C4	C6	C5	119.896	C4	C6	H12	119.623
C5	C3	H9	120.902	C5	C6	H12	120.481
C6	C4	H10	120.902	C6	C5	H11	120.481

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

using model chemistry: QCISD/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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All results from a given calculation for C6H4Cl2 (1,2-dichlorobenzene)

using model chemistry: QCISD/6-31G

States and conformations

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