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	hartrees
Energy at 0K	-1149.521978
Energy at 298.15K	-1149.525940
HF Energy	-1148.500227
Nuclear repulsion energy	452.284852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3262	3076	2.48
2	A₁	3262	3076	0.38
3	A₁	3238	3053	3.65
4	A₁	1648	1555	23.90
5	A₁	1469	1385	14.67
6	A₁	1173	1106	16.86
7	A₁	1121	1057	13.69
8	A₁	1016	958	5.43
9	A₁	682	643	1.51
10	A₁	409	386	2.42
11	A₁	201	189	0.46
12	A₂	844	796	0.00
13	A₂	514	484	0.00
14	A₂	202	190	0.00
15	B₁	890	840	0.31
16	B₁	813	767	3.03
17	B₁	751	708	72.55
18	B₁	473	446	0.43
19	B₁	426	402	3.12
20	B₁	168	158	0.05
21	B₂	3257	3072	0.31
22	B₂	1652	1558	67.58
23	B₂	1521	1435	65.84
24	B₂	1464	1380	0.97
25	B₂	1320	1245	2.97
26	B₂	1221	1152	0.28
27	B₂	1134	1070	21.01
28	B₂	815	769	71.39
29	B₂	438	413	2.65
30	B₂	374	353	0.26

Atom	y (Å)	z (Å)
C1	0.000	2.077
C2	1.214	1.390
C3	-1.214	1.390
C4	1.197	-0.005
C5	-1.197	-0.005
C6	0.000	-0.720
Cl7	2.700	-0.881
Cl8	-2.700	-0.881
H9	0.000	3.164
H10	2.160	1.923
H11	-2.160	1.923
H12	0.000	-1.806

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3953	1.3953	2.4017	2.4017	2.7971	4.0049	4.0049	1.0869	2.1659	2.1659	3.8825
C2	1.3953		2.4287	1.3949	2.7859	2.4344	2.7136	4.5251	2.1499	1.0857	3.4165	3.4183
C3	1.3953	2.4287		2.7859	1.3949	2.4344	4.5251	2.7136	2.1499	3.4165	1.0857	3.4183
C4	2.4017	1.3949	2.7859		2.3944	1.3945	1.7392	3.9940	3.3875	2.1547	3.8715	2.1622
C5	2.4017	2.7859	1.3949	2.3944		1.3945	3.9940	1.7392	3.3875	3.8715	2.1547	2.1622
C6	2.7971	2.4344	2.4344	1.3945	1.3945		2.7043	2.7043	3.8840	3.4133	3.4133	1.0854
Cl7	4.0049	2.7136	4.5251	1.7392	3.9940	2.7043		5.3990	4.8633	2.8552	5.6107	2.8533
Cl8	4.0049	4.5251	2.7136	3.9940	1.7392	2.7043	5.3990		4.8633	5.6107	2.8552	2.8533
H9	1.0869	2.1499	2.1499	3.3875	3.3875	3.8840	4.8633	4.8633		2.4917	2.4917	4.9695
H10	2.1659	1.0857	3.4165	2.1547	3.8715	3.4133	2.8552	5.6107	2.4917		4.3208	4.3088
H11	2.1659	3.4165	1.0857	3.8715	2.1547	3.4133	5.6107	2.8552	2.4917	4.3208		4.3088
H12	3.8825	3.4183	3.4183	2.1622	2.1622	1.0854	2.8533	2.8533	4.9695	4.3088	4.3088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.802	C1	C2	H10	121.113
C1	C3	C5	118.802	C1	C3	H11	121.113
C2	C1	C3	120.988	C2	C1	H9	119.506
C2	C4	C6	121.554	C2	C4	Cl7	119.552
C3	C1	H9	119.506	C3	C5	C6	121.554
C3	C5	Cl8	119.552	C4	C2	H10	120.084
C4	C6	C5	118.300	C4	C6	H12	120.850
C5	C3	H11	120.084	C5	C6	H12	120.850
C6	C4	Cl7	118.894	C6	C5	Cl8	118.894

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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