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	hartrees
Energy at 0K	-1143.882522
Energy at 298.15K	-1143.886696
HF Energy	-1143.056894
Nuclear repulsion energy	448.888689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3067	2.81
2	A₁	3232	3064	0.22
3	A₁	3208	3041	2.46
4	A₁	1577	1495	27.64
5	A₁	1444	1369	8.68
6	A₁	1153	1093	18.99
7	A₁	1104	1047	13.44
8	A₁	1030	976	0.39
9	A₁	695	659	1.59
10	A₁	400	379	3.29
11	A₁	199	188	0.50
12	A₂	884	838	0.00
13	A₂	537	509	0.00
14	A₂	207	197	0.00
15	B₁	931	883	0.07
16	B₁	854	809	10.54
17	B₁	775	735	78.15
18	B₁	658	624	5.76
19	B₁	446	423	5.14
20	B₁	171	162	0.12
21	B₂	3226	3059	0.15
22	B₂	1580	1498	66.62
23	B₂	1511	1433	43.70
24	B₂	1364	1293	1.98
25	B₂	1307	1239	0.07
26	B₂	1244	1179	0.92
27	B₂	1111	1054	23.59
28	B₂	797	755	65.95
29	B₂	440	417	5.34
30	B₂	371	352	0.44

Atom	y (Å)	z (Å)
C1	0.000	2.094
C2	1.222	1.399
C3	-1.222	1.399
C4	1.204	-0.003
C5	-1.204	-0.003
C6	0.000	-0.720
Cl7	2.724	-0.889
Cl8	-2.724	-0.889
H9	0.000	3.180
H10	2.168	1.930
H11	-2.168	1.930
H12	0.000	-1.805

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4055	1.4055	2.4183	2.4183	2.8144	4.0400	4.0400	1.0860	2.1743	2.1743	3.8994
C2	1.4055		2.4431	1.4021	2.8018	2.4461	2.7377	4.5611	2.1598	1.0852	3.4309	3.4293
C3	1.4055	2.4431		2.8018	1.4021	2.4461	4.5611	2.7377	2.1598	3.4309	1.0852	3.4293
C4	2.4183	1.4021	2.8018		2.4083	1.4016	1.7593	4.0267	3.4033	2.1598	3.8869	2.1675
C5	2.4183	2.8018	1.4021	2.4083		1.4016	4.0267	1.7593	3.4033	3.8869	2.1598	2.1675
C6	2.8144	2.4461	2.4461	1.4016	1.4016		2.7290	2.7290	3.9004	3.4239	3.4239	1.0850
Cl7	4.0400	2.7377	4.5611	1.7593	4.0267	2.7290		5.4475	4.8972	2.8737	5.6462	2.8735
Cl8	4.0400	4.5611	2.7377	4.0267	1.7593	2.7290	5.4475		4.8972	5.6462	2.8737	2.8735
H9	1.0860	2.1598	2.1598	3.4033	3.4033	3.9004	4.8972	4.8972		2.5028	2.5028	4.9855
H10	2.1743	1.0852	3.4309	2.1598	3.8869	3.4239	2.8737	5.6462	2.5028		4.3362	4.3187
H11	2.1743	3.4309	1.0852	3.8869	2.1598	3.4239	5.6462	2.8737	2.5028	4.3362		4.3187
H12	3.8994	3.4293	3.4293	2.1675	2.1675	1.0850	2.8735	2.8735	4.9855	4.3187	4.3187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.932	C1	C2	H10	121.079
C1	C3	C5	118.932	C1	C3	H11	121.079
C2	C1	C3	120.717	C2	C1	H9	119.642
C2	C4	C6	121.490	C2	C4	Cl7	119.554
C3	C1	H9	119.642	C3	C5	C6	121.490
C3	C5	Cl8	119.554	C4	C2	H10	119.989
C4	C6	C5	118.440	C4	C6	H12	120.780
C5	C3	H11	119.989	C5	C6	H12	120.780
C6	C4	Cl7	118.956	C6	C5	Cl8	118.956

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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