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	hartrees
Energy at 0K	-1149.714105
Energy at 298.15K	-1149.718198
HF Energy	-1148.563866
Nuclear repulsion energy	465.303913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	3132	5.29
2	A₁	3216	3116	5.35
3	A₁	1629	1578	5.66
4	A₁	1487	1440	54.19
5	A₁	1271	1231	1.06
6	A₁	1173	1136	13.47
7	A₁	1162	1126	23.15
8	A₁	1056	1023	6.08
9	A₁	666	645	12.86
10	A₁	481	465	5.15
11	A₁	200	193	0.01
12	A₂	936	906	0.00
13	A₂	851	825	0.00
14	A₂	569	551	0.00
15	A₂	499	484	0.00
16	A₂	136	132	0.00
17	B₁	939	909	1.03
18	B₁	762	738	62.40
19	B₁	435	421	4.63
20	B₁	234	226	1.13
21	B₂	3228	3127	3.32
22	B₂	3203	3103	1.00
23	B₂	1633	1581	7.46
24	B₂	1438	1393	16.27
25	B₂	1266	1226	2.70
26	B₂	1144	1108	2.01
27	B₂	1026	994	32.68
28	B₂	744	720	13.71
29	B₂	422	409	0.40
30	B₂	334	323	0.12

Atom	y (Å)	z (Å)
C1	0.704	-0.029
C2	-0.704	-0.029
C3	1.405	1.190
C4	-1.405	1.190
C5	0.703	2.405
C6	-0.703	2.405
Cl7	1.614	-1.524
Cl8	-1.614	-1.524
H9	2.498	1.172
H10	-2.498	1.172
H11	1.257	3.349
H12	-1.257	3.349

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4077	1.4066	2.4361	2.4348	2.8123	1.7501	2.7579	2.1589	3.4195	3.4230	3.9059
C2	1.4077		2.4361	1.4066	2.8123	2.4348	2.7579	1.7501	3.4195	2.1589	3.9059	3.4230
C3	1.4066	2.4361		2.8104	1.4036	2.4340	2.7223	4.0596	1.0928	3.9031	2.1639	3.4276
C4	2.4361	1.4066	2.8104		2.4340	1.4036	4.0596	2.7223	3.9031	1.0928	3.4276	2.1639
C5	2.4348	2.8123	1.4036	2.4340		1.4069	4.0339	4.5621	2.1777	3.4308	1.0937	2.1756
C6	2.8123	2.4348	2.4340	1.4036	1.4069		4.5621	4.0339	3.4308	2.1777	2.1756	1.0937
Cl7	1.7501	2.7579	2.7223	4.0596	4.0339	4.5621		3.2273	2.8373	4.9166	4.8861	5.6558
Cl8	2.7579	1.7501	4.0596	2.7223	4.5621	4.0339	3.2273		4.9166	2.8373	5.6558	4.8861
H9	2.1589	3.4195	1.0928	3.9031	2.1777	3.4308	2.8373	4.9166		4.9957	2.5058	4.3404
H10	3.4195	2.1589	3.9031	1.0928	3.4308	2.1777	4.9166	2.8373	4.9957		4.3404	2.5058
H11	3.4230	3.9059	2.1639	3.4276	1.0937	2.1756	4.8861	5.6558	2.5058	4.3404		2.5141
H12	3.9059	3.4230	3.4276	2.1639	2.1756	1.0937	5.6558	4.8861	4.3404	2.5058	2.5141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.909	C1	C2	Cl8	121.322
C1	C3	C5	120.093	C1	C3	H9	118.953
C2	C1	C3	119.909	C2	C1	Cl7	121.322
C2	C4	C6	120.093	C2	C4	H10	118.953
C3	C1	Cl7	118.769	C3	C5	C6	119.998
C3	C5	H11	119.591	C4	C2	Cl8	118.769
C4	C6	C5	119.998	C4	C6	H12	119.591
C5	C3	H9	120.954	C5	C6	H12	120.411
C6	C4	H10	120.954	C6	C5	H11	120.411

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

using model chemistry: QCISD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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