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	hartrees
Energy at 0K	-1143.462624
Energy at 298.15K	-1143.466754
HF Energy	-1142.841775
Nuclear repulsion energy	442.500779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3099	3.37
2	A₁	3241	3094	0.74
3	A₁	3211	3065	2.19
4	A₁	1587	1515	31.01
5	A₁	1453	1387	8.88
6	A₁	1148	1096	12.77
7	A₁	1097	1047	18.83
8	A₁	1031	984	2.54
9	A₁	688	656	1.40
10	A₁	378	360	3.50
11	A₁	180	172	0.82
12	A₂	910	869	0.00
13	A₂	546	521	0.00
14	A₂	208	198	0.00
15	B₁	945	902	0.01
16	B₁	893	852	18.58
17	B₁	796	759	61.98
18	B₁	685	654	18.58
19	B₁	453	433	5.85
20	B₁	168	160	0.04
21	B₂	3235	3088	0.03
22	B₂	1580	1508	81.51
23	B₂	1514	1445	36.22
24	B₂	1365	1303	1.59
25	B₂	1321	1261	0.06
26	B₂	1244	1187	1.04
27	B₂	1114	1063	18.14
28	B₂	767	733	63.63
29	B₂	422	403	6.28
30	B₂	342	327	0.26

Atom	y (Å)	z (Å)
C1	0.000	2.112
C2	1.222	1.415
C3	-1.222	1.415
C4	1.195	0.019
C5	-1.195	0.019
C6	0.000	-0.704
Cl7	2.786	-0.910
Cl8	-2.786	-0.910
H9	0.000	3.198
H10	2.169	1.943
H11	-2.169	1.943
H12	0.000	-1.788

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4068	1.4068	2.4108	2.4108	2.8161	4.1108	4.1108	1.0860	2.1759	2.1759	3.8999
C2	1.4068		2.4435	1.3965	2.7914	2.4458	2.8025	4.6336	2.1617	1.0846	3.4319	3.4277
C3	1.4068	2.4435		2.7914	1.3965	2.4458	4.6336	2.8025	2.1617	3.4319	1.0846	3.4277
C4	2.4108	1.3965	2.7914		2.3906	1.3967	1.8422	4.0884	3.3969	2.1564	3.8758	2.1660
C5	2.4108	2.7914	1.3965	2.3906		1.3967	4.0884	1.8422	3.3969	3.8758	2.1564	2.1660
C6	2.8161	2.4458	2.4458	1.3967	1.3967		2.7938	2.7938	3.9021	3.4219	3.4219	1.0838
Cl7	4.1108	2.8025	4.6336	1.8422	4.0884	2.7938		5.5723	4.9642	2.9188	5.7180	2.9210
Cl8	4.1108	4.6336	2.8025	4.0884	1.8422	2.7938	5.5723		4.9642	5.7180	2.9188	2.9210
H9	1.0860	2.1617	2.1617	3.3969	3.3969	3.9021	4.9642	4.9642		2.5065	2.5065	4.9859
H10	2.1759	1.0846	3.4319	2.1564	3.8758	3.4219	2.9188	5.7180	2.5065		4.3386	4.3151
H11	2.1759	3.4319	1.0846	3.8758	2.1564	3.4219	5.7180	2.9188	2.5065	4.3386		4.3151
H12	3.8999	3.4277	3.4277	2.1660	2.1660	1.0838	2.9210	2.9210	4.9859	4.3151	4.3151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.631	C1	C2	H10	121.173
C1	C3	C5	118.631	C1	C3	H11	121.173
C2	C1	C3	120.567	C2	C1	H9	119.716
C2	C4	C6	122.237	C2	C4	Cl7	119.198
C3	C1	H9	119.716	C3	C5	C6	122.237
C3	C5	Cl8	119.198	C4	C2	H10	120.196
C4	C6	C5	117.696	C4	C6	H12	121.152
C5	C3	H11	120.196	C5	C6	H12	121.152
C6	C4	Cl7	118.565	C6	C5	Cl8	118.565

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)