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	hartrees
Energy at 0K	-1136.273203
Energy at 298.15K	-1136.277036
HF Energy	-1135.889023
Nuclear repulsion energy	441.634838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3535	3143	5.63
2	A₁	3531	3139	25.16
3	A₁	3516	3126	0.95
4	A₁	1698	1510	22.31
5	A₁	1521	1352	9.22
6	A₁	1260	1120	19.83
7	A₁	1155	1027	0.32
8	A₁	1057	940	3.07
9	A₁	710	631	1.20
10	A₁	418	371	1.87
11	A₁	191	169	2.27
12	A₂	982	873	0.00
13	A₂	550	489	0.00
14	A₂	218	194	0.00
15	B₁	1062	944	0.17
16	B₁	949	844	6.86
17	B₁	841	747	25.01
18	B₁	734	652	1.63
19	B₁	458	408	0.18
20	B₁	174	155	1.12
21	B₂	3529	3137	20.20
22	B₂	1707	1518	52.89
23	B₂	1594	1417	45.39
24	B₂	1384	1230	2.62
25	B₂	1272	1130	0.21
26	B₂	1215	1080	0.88
27	B₂	1178	1047	30.48
28	B₂	864	768	34.31
29	B₂	445	395	1.34
30	B₂	357	317	0.25

Atom	y (Å)	z (Å)
C1	0.000	2.120
C2	1.232	1.420
C3	-1.232	1.420
C4	1.217	0.000
C5	-1.217	0.000
C6	0.000	-0.731
Cl7	2.778	-0.903
Cl8	-2.778	-0.903
H9	0.000	3.221
H10	2.190	1.961
H11	-2.190	1.961
H12	0.000	-1.832

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4163	1.4163	2.4440	2.4440	2.8508	4.1053	4.1053	1.1016	2.1956	2.1956	3.9516
C2	1.4163		2.4631	1.4201	2.8304	2.4789	2.7907	4.6341	2.1818	1.1006	3.4640	3.4775
C3	1.4163	2.4631		2.8304	1.4201	2.4789	4.6341	2.7907	2.1818	3.4640	1.1006	3.4775
C4	2.4440	1.4201	2.8304		2.4336	1.4196	1.8037	4.0959	3.4432	2.1894	3.9309	2.1993
C5	2.4440	2.8304	1.4201	2.4336		1.4196	4.0959	1.8037	3.4432	3.9309	2.1894	2.1993
C6	2.8508	2.4789	2.4789	1.4196	1.4196		2.7836	2.7836	3.9524	3.4707	3.4707	1.1007
Cl7	4.1053	2.7907	4.6341	1.8037	4.0959	2.7836		5.5567	4.9725	2.9239	5.7347	2.9296
Cl8	4.1053	4.6341	2.7907	4.0959	1.8037	2.7836	5.5567		4.9725	5.7347	2.9239	2.9296
H9	1.1016	2.1818	2.1818	3.4432	3.4432	3.9524	4.9725	4.9725		2.5264	2.5264	5.0531
H10	2.1956	1.1006	3.4640	2.1894	3.9309	3.4707	2.9239	5.7347	2.5264		4.3798	4.3800
H11	2.1956	3.4640	1.1006	3.9309	2.1894	3.4707	5.7347	2.9239	2.5264	4.3798		4.3800
H12	3.9516	3.4775	3.4775	2.1993	2.1993	1.1007	2.9296	2.9296	5.0531	4.3800	4.3800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.998	C1	C2	H10	120.951
C1	C3	C5	118.998	C1	C3	H11	120.951
C2	C1	C3	120.812	C2	C1	H9	119.594
C2	C4	C6	121.603	C2	C4	Cl7	119.439
C3	C1	H9	119.594	C3	C5	C6	121.603
C3	C5	Cl8	119.439	C4	C2	H10	120.050
C4	C6	C5	117.986	C4	C6	H12	121.007
C5	C3	H11	120.050	C5	C6	H12	121.007
C6	C4	Cl7	118.958	C6	C5	Cl8	118.958

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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