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	hartrees
Energy at 0K	-1149.599177
Energy at 298.15K	-1149.603312
HF Energy	-1148.503088
Nuclear repulsion energy	468.272847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3284	3092	7.45
2	A₁	3268	3077	7.30
3	A₁	1666	1569	3.56
4	A₁	1540	1449	53.59
5	A₁	1291	1216	1.07
6	A₁	1206	1135	3.45
7	A₁	1188	1118	32.20
8	A₁	1081	1018	5.38
9	A₁	681	641	13.49
10	A₁	491	462	5.20
11	A₁	206	194	0.00
12	A₂	937	882	0.00
13	A₂	858	807	0.00
14	A₂	558	526	0.00
15	A₂	500	471	0.00
16	A₂	138	130	0.00
17	B₁	930	876	1.25
18	B₁	769	724	57.50
19	B₁	439	414	3.44
20	B₁	236	222	0.67
21	B₂	3279	3087	6.33
22	B₂	3256	3065	1.15
23	B₂	1681	1583	6.47
24	B₂	1502	1414	17.10
25	B₂	1310	1233	3.31
26	B₂	1181	1112	3.03
27	B₂	1062	1000	33.85
28	B₂	765	720	13.58
29	B₂	437	411	0.38
30	B₂	343	323	0.09

Atom	y (Å)	z (Å)
C1	0.700	-0.032
C2	-0.700	-0.032
C3	1.393	1.182
C4	-1.393	1.182
C5	0.698	2.389
C6	-0.698	2.389
Cl7	1.610	-1.513
Cl8	-1.610	-1.513
H9	2.474	1.165
H10	-2.474	1.165
H11	1.246	3.322
H12	-1.246	3.322

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3995	1.3979	2.4195	2.4208	2.7954	1.7384	2.7437	2.1407	3.3924	3.3978	3.8773
C2	1.3995		2.4195	1.3979	2.7954	2.4208	2.7437	1.7384	3.3924	2.1407	3.8773	3.3978
C3	1.3979	2.4195		2.7866	1.3929	2.4149	2.7035	4.0350	1.0812	3.8677	2.1448	3.3981
C4	2.4195	1.3979	2.7866		2.4149	1.3929	4.0350	2.7035	3.8677	1.0812	3.3981	2.1448
C5	2.4208	2.7954	1.3929	2.4149		1.3965	4.0070	4.5334	2.1568	3.4004	1.0819	2.1568
C6	2.7954	2.4208	2.4149	1.3929	1.3965		4.5334	4.0070	3.4004	2.1568	2.1568	1.0819
Cl7	1.7384	2.7437	2.7035	4.0350	4.0070	4.5334		3.2198	2.8144	4.8841	4.8482	5.6153
Cl8	2.7437	1.7384	4.0350	2.7035	4.5334	4.0070	3.2198		4.8841	2.8144	5.6153	4.8482
H9	2.1407	3.3924	1.0812	3.8677	2.1568	3.4004	2.8144	4.8841		4.9487	2.4814	4.3005
H10	3.3924	2.1407	3.8677	1.0812	3.4004	2.1568	4.8841	2.8144	4.9487		4.3005	2.4814
H11	3.3978	3.8773	2.1448	3.3981	1.0819	2.1568	4.8482	5.6153	2.4814	4.3005		2.4929
H12	3.8773	3.3978	3.3981	2.1448	2.1568	1.0819	5.6153	4.8482	4.3005	2.4814	2.4929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.747	C1	C2	Cl8	121.571
C1	C3	C5	120.319	C1	C3	H9	118.876
C2	C1	C3	119.747	C2	C1	Cl7	121.571
C2	C4	C6	120.319	C2	C4	H10	118.876
C3	C1	Cl7	118.683	C3	C5	C6	119.935
C3	C5	H11	119.618	C4	C2	Cl8	118.683
C4	C6	C5	119.935	C4	C6	H12	119.618
C5	C3	H9	120.805	C5	C6	H12	120.447
C6	C4	H10	120.805	C6	C5	H11	120.447

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)