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	hartrees
Energy at 0K	-65.091796
Energy at 298.15K
HF Energy	-64.488764
Nuclear repulsion energy	158.803605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3175	3099	1.76
2	A₁	3173	3096	9.56
3	A₁	3141	3066	6.32
4	A₁	1568	1530	28.57
5	A₁	1410	1377	9.61
6	A₁	1113	1086	7.44
7	A₁	1059	1034	25.07
8	A₁	981	958	3.97
9	A₁	654	638	1.00
10	A₁	372	363	2.55
11	A₁	183	178	0.71
12	A₂	657	641	0.00
13	A₂	274	268	0.00
14	A₂	181	176	0.00
15	B₁	731	714	0.45
16	B₁	682	666	76.40
17	B₁	599	585	21.74
18	B₁	285	278	0.61
19	B₁	149	146	0.16
20	B₁	1052i	1026i	4.12
21	B₂	3165	3089	3.68
22	B₂	1565	1528	82.75
23	B₂	1461	1426	44.86
24	B₂	1342	1309	0.06
25	B₂	1295	1264	1.46
26	B₂	1198	1169	0.64
27	B₂	1083	1057	17.08
28	B₂	751	733	61.23
29	B₂	409	399	3.87
30	B₂	342	334	0.21

Atom	y (Å)	z (Å)
C1	0.000	2.137
C2	1.243	1.434
C3	-1.243	1.434
C4	1.216	0.011
C5	-1.216	0.011
C6	0.000	-0.730
Cl7	2.803	-0.915
Cl8	-2.803	-0.915
H9	0.000	3.230
H10	2.196	1.967
H11	-2.196	1.967
H12	0.000	-1.820

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4285	1.4285	2.4498	2.4498	2.8669	4.1445	4.1445	1.0932	2.2021	2.2021	3.9575
C2	1.4285		2.4865	1.4233	2.8413	2.4951	2.8198	4.6789	2.1850	1.0914	3.4799	3.4833
C3	1.4285	2.4865		2.8413	1.4233	2.4951	4.6789	2.8198	2.1850	3.4799	1.0914	3.4833
C4	2.4498	1.4233	2.8413		2.4319	1.4236	1.8376	4.1245	3.4418	2.1879	3.9326	2.1978
C5	2.4498	2.8413	1.4233	2.4319		1.4236	4.1245	1.8376	3.4418	3.9326	2.1879	2.1978
C6	2.8669	2.4951	2.4951	1.4236	1.4236		2.8094	2.8094	3.9601	3.4774	3.4774	1.0906
Cl7	4.1445	2.8198	4.6789	1.8376	4.1245	2.8094		5.6065	5.0046	2.9458	5.7702	2.9457
Cl8	4.1445	4.6789	2.8198	4.1245	1.8376	2.8094	5.6065		5.0046	5.7702	2.9458	2.9457
H9	1.0932	2.1850	2.1850	3.4418	3.4418	3.9601	5.0046	5.0046		2.5331	2.5331	5.0507
H10	2.2021	1.0914	3.4799	2.1879	3.9326	3.4774	2.9458	5.7702	2.5331		4.3910	4.3776
H11	2.2021	3.4799	1.0914	3.9326	2.1879	3.4774	5.7702	2.9458	2.5331	4.3910		4.3776
H12	3.9575	3.4833	3.4833	2.1978	2.1978	1.0906	2.9457	2.9457	5.0507	4.3776	4.3776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.410	C1	C2	H10	121.239
C1	C3	C5	118.410	C1	C3	H11	121.239
C2	C1	C3	120.984	C2	C1	H9	119.508
C2	C4	C6	122.430	C2	C4	Cl7	119.160
C3	C1	H9	119.508	C3	C5	C6	122.430
C3	C5	Cl8	119.160	C4	C2	H10	120.351
C4	C6	C5	117.336	C4	C6	H12	121.332
C5	C3	H11	120.351	C5	C6	H12	121.332
C6	C4	Cl7	118.410	C6	C5	Cl8	118.410

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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