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	hartrees
Energy at 0K	-1143.848167
Energy at 298.15K	-1143.852328
HF Energy	-1143.056762
Nuclear repulsion energy	448.755236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3077	2.81
2	A₁	3231	3074	0.25
3	A₁	3207	3051	2.46
4	A₁	1577	1500	27.58
5	A₁	1444	1373	8.63
6	A₁	1152	1096	19.02
7	A₁	1104	1050	13.55
8	A₁	1030	980	0.36
9	A₁	695	661	1.60
10	A₁	400	380	3.31
11	A₁	199	189	0.51
12	A₂	881	838	0.00
13	A₂	535	509	0.00
14	A₂	207	197	0.00
15	B₁	929	883	0.07
16	B₁	849	808	9.99
17	B₁	772	734	79.61
18	B₁	654	622	5.00
19	B₁	445	423	5.10
20	B₁	170	162	0.11
21	B₂	3226	3069	0.15
22	B₂	1579	1502	65.86
23	B₂	1511	1437	44.33
24	B₂	1363	1297	2.00
25	B₂	1306	1242	0.06
26	B₂	1244	1183	0.88
27	B₂	1110	1056	23.63
28	B₂	796	757	66.18
29	B₂	439	418	5.40
30	B₂	371	353	0.44

Atom	y (Å)	z (Å)
C1	0.000	2.095
C2	1.222	1.400
C3	-1.222	1.400
C4	1.204	-0.003
C5	-1.204	-0.003
C6	0.000	-0.720
Cl7	2.725	-0.890
Cl8	-2.725	-0.890
H9	0.000	3.181
H10	2.168	1.931
H11	-2.168	1.931
H12	0.000	-1.806

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4057	1.4057	2.4187	2.4187	2.8153	4.0411	4.0411	1.0862	2.1746	2.1746	3.9005
C2	1.4057		2.4437	1.4025	2.8024	2.4471	2.7386	4.5625	2.1601	1.0853	3.4316	3.4303
C3	1.4057	2.4437		2.8024	1.4025	2.4471	4.5625	2.7386	2.1601	3.4316	1.0853	3.4303
C4	2.4187	1.4025	2.8024		2.4088	1.4020	1.7601	4.0279	3.4039	2.1604	3.8877	2.1682
C5	2.4187	2.8024	1.4025	2.4088		1.4020	4.0279	1.7601	3.4039	3.8877	2.1604	2.1682
C6	2.8153	2.4471	2.4471	1.4020	1.4020		2.7299	2.7299	3.9014	3.4250	3.4250	1.0852
Cl7	4.0411	2.7386	4.5625	1.7601	4.0279	2.7299		5.4493	4.8984	2.8747	5.6477	2.8745
Cl8	4.0411	4.5625	2.7386	4.0279	1.7601	2.7299	5.4493		4.8984	5.6477	2.8747	2.8745
H9	1.0862	2.1601	2.1601	3.4039	3.4039	3.9014	4.8984	4.8984		2.5030	2.5030	4.9866
H10	2.1746	1.0853	3.4316	2.1604	3.8877	3.4250	2.8747	5.6477	2.5030		4.3368	4.3200
H11	2.1746	3.4316	1.0853	3.8877	2.1604	3.4250	5.6477	2.8747	2.5030	4.3368		4.3200
H12	3.9005	3.4303	3.4303	2.1682	2.1682	1.0852	2.8745	2.8745	4.9866	4.3200	4.3200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.922	C1	C2	H10	121.072
C1	C3	C5	118.922	C1	C3	H11	121.072
C2	C1	C3	120.730	C2	C1	H9	119.635
C2	C4	C6	121.507	C2	C4	Cl7	119.548
C3	C1	H9	119.635	C3	C5	C6	121.507
C3	C5	Cl8	119.548	C4	C2	H10	120.006
C4	C6	C5	118.414	C4	C6	H12	120.793
C5	C3	H11	120.006	C5	C6	H12	120.793
C6	C4	Cl7	118.946	C6	C5	Cl8	118.946

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

using model chemistry: MP2/3-21G*

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 (1,3-dichlorobenzene)

using model chemistry: MP2/3-21G*

States and conformations

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