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	hartrees
Energy at 0K	-1149.604620
Energy at 298.15K	-1149.608670
HF Energy	-1148.508058
Nuclear repulsion energy	453.010945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3298	3082	2.10
2	A₁	3297	3081	0.92
3	A₁	3273	3058	3.84
4	A₁	1654	1545	23.72
5	A₁	1471	1374	12.48
6	A₁	1176	1099	18.75
7	A₁	1121	1048	11.91
8	A₁	1016	950	5.30
9	A₁	683	638	1.51
10	A₁	410	383	2.25
11	A₁	201	188	0.42
12	A₂	867	810	0.00
13	A₂	521	487	0.00
14	A₂	203	190	0.00
15	B₁	919	859	0.14
16	B₁	834	780	3.45
17	B₁	763	713	64.01
18	B₁	495	462	0.10
19	B₁	430	402	2.87
20	B₁	169	158	0.04
21	B₂	3293	3077	0.56
22	B₂	1658	1549	69.60
23	B₂	1527	1427	59.58
24	B₂	1468	1372	1.11
25	B₂	1323	1236	3.04
26	B₂	1217	1137	0.43
27	B₂	1136	1062	23.04
28	B₂	817	764	69.76
29	B₂	438	410	2.42
30	B₂	375	351	0.25

Atom	y (Å)	z (Å)
C1	0.000	2.074
C2	1.212	1.388
C3	-1.212	1.388
C4	1.197	-0.005
C5	-1.197	-0.005
C6	0.000	-0.718
Cl7	2.696	-0.880
Cl8	-2.696	-0.880
H9	0.000	3.155
H10	2.153	1.918
H11	-2.153	1.918
H12	0.000	-1.797

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3932	1.3932	2.3991	2.3991	2.7918	3.9995	3.9995	1.0812	2.1591	2.1591	3.8715
C2	1.3932		2.4247	1.3931	2.7827	2.4295	2.7100	4.5187	2.1434	1.0800	3.4072	3.4080
C3	1.3932	2.4247		2.7827	1.3931	2.4295	4.5187	2.7100	2.1434	3.4072	1.0800	3.4080
C4	2.3991	1.3931	2.7827		2.3933	1.3927	1.7360	3.9899	3.3796	2.1477	3.8627	2.1549
C5	2.3991	2.7827	1.3931	2.3933		1.3927	3.9899	1.7360	3.3796	3.8627	2.1477	2.1549
C6	2.7918	2.4295	2.4295	1.3927	1.3927		2.7010	2.7010	3.8731	3.4032	3.4032	1.0796
Cl7	3.9995	2.7100	4.5187	1.7360	3.9899	2.7010		5.3923	4.8532	2.8498	5.5986	2.8479
Cl8	3.9995	4.5187	2.7100	3.9899	1.7360	2.7010	5.3923		4.8532	5.5986	2.8498	2.8479
H9	1.0812	2.1434	2.1434	3.3796	3.3796	3.8731	4.8532	4.8532		2.4838	2.4838	4.9527
H10	2.1591	1.0800	3.4072	2.1477	3.8627	3.4032	2.8498	5.5986	2.4838		4.3068	4.2939
H11	2.1591	3.4072	1.0800	3.8627	2.1477	3.4032	5.5986	2.8498	2.4838	4.3068		4.2939
H12	3.8715	3.4080	3.4080	2.1549	2.1549	1.0796	2.8479	2.8479	4.9527	4.2939	4.2939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.872	C1	C2	H10	121.100
C1	C3	C5	118.872	C1	C3	H11	121.100
C2	C1	C3	120.964	C2	C1	H9	119.518
C2	C4	C6	121.414	C2	C4	Cl7	119.611
C3	C1	H9	119.518	C3	C5	C6	121.414
C3	C5	Cl8	119.611	C4	C2	H10	120.028
C4	C6	C5	118.463	C4	C6	H12	120.768
C5	C3	H11	120.028	C5	C6	H12	120.768
C6	C4	Cl7	118.975	C6	C5	Cl8	118.975

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

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

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