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	hartrees
Energy at 0K	-1149.452024
Energy at 298.15K	-1149.456437
HF Energy	-1148.588879
Nuclear repulsion energy	454.905646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3348	3098	0.30
2	A₁	3343	3093	4.04
3	A₁	3314	3067	5.27
4	A₁	1726	1597	26.79
5	A₁	1527	1413	17.98
6	A₁	1216	1125	24.30
7	A₁	1157	1070	10.92
8	A₁	1054	975	5.13
9	A₁	709	656	1.80
10	A₁	425	393	2.50
11	A₁	207	192	0.23
12	A₂	946	875	0.00
13	A₂	561	519	0.00
14	A₂	215	199	0.00
15	B₁	1005	930	0.11
16	B₁	910	842	7.99
17	B₁	818	757	73.06
18	B₁	650	601	7.07
19	B₁	462	427	6.30
20	B₁	178	165	0.24
21	B₂	3337	3088	1.59
22	B₂	1733	1604	81.06
23	B₂	1585	1467	72.65
24	B₂	1389	1285	1.54
25	B₂	1296	1199	0.09
26	B₂	1228	1136	1.61
27	B₂	1171	1084	24.86
28	B₂	844	781	80.75
29	B₂	456	422	2.54
30	B₂	388	359	0.63

Atom	y (Å)	z (Å)
C1	0.000	2.064
C2	1.206	1.381
C3	-1.206	1.381
C4	1.190	-0.004
C5	-1.190	-0.004
C6	0.000	-0.712
Cl7	2.687	-0.877
Cl8	-2.687	-0.877
H9	0.000	3.142
H10	2.143	1.909
H11	-2.143	1.909
H12	0.000	-1.787

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3860	1.3860	2.3858	2.3858	2.7760	3.9837	3.9837	1.0781	2.1489	2.1489	3.8517
C2	1.3860		2.4113	1.3844	2.7664	2.4147	2.7000	4.4998	2.1349	1.0765	3.3905	3.3896
C3	1.3860	2.4113		2.7664	1.3844	2.4147	4.4998	2.7000	2.1349	3.3905	1.0765	3.3896
C4	2.3858	1.3844	2.7664		2.3791	1.3843	1.7333	3.9736	3.3635	2.1377	3.8429	2.1439
C5	2.3858	2.7664	1.3844	2.3791		1.3843	3.9736	1.7333	3.3635	3.8429	2.1377	2.1439
C6	2.7760	2.4147	2.4147	1.3843	1.3843		2.6920	2.6920	3.8541	3.3858	3.3858	1.0757
Cl7	3.9837	2.7000	4.4998	1.7333	3.9736	2.6920		5.3738	4.8347	2.8388	5.5763	2.8370
Cl8	3.9837	4.4998	2.7000	3.9736	1.7333	2.6920	5.3738		4.8347	5.5763	2.8388	2.8370
H9	1.0781	2.1349	2.1349	3.3635	3.3635	3.8541	4.8347	4.8347		2.4727	2.4727	4.9298
H10	2.1489	1.0765	3.3905	2.1377	3.8429	3.3858	2.8388	5.5763	2.4727		4.2867	4.2732
H11	2.1489	3.3905	1.0765	3.8429	2.1377	3.3858	5.5763	2.8388	2.4727	4.2867		4.2732
H12	3.8517	3.3896	3.3896	2.1439	2.1439	1.0757	2.8370	2.8370	4.9298	4.2732	4.2732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.894	C1	C2	H10	121.019
C1	C3	C5	118.894	C1	C3	H11	121.019
C2	C1	C3	120.881	C2	C1	H9	119.560
C2	C4	C6	121.423	C2	C4	Cl7	119.583
C3	C1	H9	119.560	C3	C5	C6	121.423
C3	C5	Cl8	119.583	C4	C2	H10	120.087
C4	C6	C5	118.484	C4	C6	H12	120.758
C5	C3	H11	120.087	C5	C6	H12	120.758
C6	C4	Cl7	118.994	C6	C5	Cl8	118.994

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)

using model chemistry: CISD/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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All results from a given calculation for C6H4Cl2 (1,3-dichlorobenzene)

using model chemistry: CISD/6-311G*

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)