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	hartrees
Energy at 0K	-1149.954253
Energy at 298.15K	-1149.958419
HF Energy	-1148.635564
Nuclear repulsion energy	470.904684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3089	3.70
2	A₁	3231	3074	2.26
3	A₁	1611	1533	3.70
4	A₁	1492	1420	50.18
5	A₁	1451	1381	10.72
6	A₁	1183	1125	3.38
7	A₁	1164	1107	38.52
8	A₁	1057	1006	7.10
9	A₁	669	636	13.04
10	A₁	487	463	4.56
11	A₁	201	191	0.02
12	A₂	938	893	0.00
13	A₂	858	817	0.00
14	A₂	619	589	0.00
15	A₂	512	487	0.00
16	A₂	137	131	0.00
17	B₁	940	894	1.56
18	B₁	767	730	64.67
19	B₁	444	423	4.86
20	B₁	235	224	1.27
21	B₂	3240	3083	0.97
22	B₂	3219	3063	0.68
23	B₂	1619	1540	6.45
24	B₂	1457	1386	16.58
25	B₂	1270	1208	3.32
26	B₂	1152	1096	1.36
27	B₂	1046	995	32.54
28	B₂	757	720	13.95
29	B₂	433	412	0.30
30	B₂	338	321	0.10

Atom	y (Å)	z (Å)
C1	0.698	-0.032
C2	-0.698	-0.032
C3	1.392	1.177
C4	-1.392	1.177
C5	0.697	2.382
C6	-0.697	2.382
Cl7	1.590	-1.508
Cl8	-1.590	-1.508
H9	2.473	1.158
H10	-2.473	1.158
H11	1.245	3.314
H12	-1.245	3.314

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3956	1.3948	2.4149	2.4144	2.7885	1.7242	2.7222	2.1373	3.3868	3.3908	3.8695
C2	1.3956		2.4149	1.3948	2.7885	2.4144	2.7222	1.7242	3.3868	2.1373	3.8695	3.3908
C3	1.3948	2.4149		2.7849	1.3911	2.4123	2.6923	4.0129	1.0807	3.8655	2.1420	3.3946
C4	2.4149	1.3948	2.7849		2.4123	1.3911	4.0129	2.6923	3.8655	1.0807	3.3946	2.1420
C5	2.4144	2.7885	1.3911	2.4123		1.3947	3.9911	4.5125	2.1567	3.3984	1.0810	2.1545
C6	2.7885	2.4144	2.4123	1.3911	1.3947		4.5125	3.9911	3.3984	2.1567	2.1545	1.0810
Cl7	1.7242	2.7222	2.6923	4.0129	3.9911	4.5125		3.1795	2.8084	4.8593	4.8342	5.5936
Cl8	2.7222	1.7242	4.0129	2.6923	4.5125	3.9911	3.1795		4.8593	2.8084	5.5936	4.8342
H9	2.1373	3.3868	1.0807	3.8655	2.1567	3.3984	2.8084	4.8593		4.9459	2.4811	4.2980
H10	3.3868	2.1373	3.8655	1.0807	3.3984	2.1567	4.8593	2.8084	4.9459		4.2980	2.4811
H11	3.3908	3.8695	2.1420	3.3946	1.0810	2.1545	4.8342	5.5936	2.4811	4.2980		2.4903
H12	3.8695	3.3908	3.3946	2.1420	2.1545	1.0810	5.5936	4.8342	4.2980	2.4811	2.4903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.872	C1	C2	Cl8	121.152
C1	C3	C5	120.149	C1	C3	H9	118.856
C2	C1	C3	119.872	C2	C1	Cl7	121.152
C2	C4	C6	120.149	C2	C4	H10	118.856
C3	C1	Cl7	118.976	C3	C5	C6	119.980
C3	C5	H11	119.573	C4	C2	Cl8	118.976
C4	C6	C5	119.980	C4	C6	H12	119.573
C5	C3	H9	120.995	C5	C6	H12	120.447
C6	C4	H10	120.995	C6	C5	H11	120.447

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)

using model chemistry: MP2/Def2TZVPP

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 (1,2-dichlorobenzene)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)