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	hartrees
Energy at 0K	-1150.966705
Energy at 298.15K	-1150.970902
HF Energy	-1150.588485
Nuclear repulsion energy	466.780774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3113	3.90
2	A₁	3221	3098	4.98
3	A₁	1612	1550	5.12
4	A₁	1477	1421	59.37
5	A₁	1356	1304	1.39
6	A₁	1176	1131	1.49
7	A₁	1150	1106	42.43
8	A₁	1055	1014	8.83
9	A₁	667	641	14.36
10	A₁	479	461	6.65
11	A₁	199	191	0.01
12	A₂	971	934	0.00
13	A₂	859	826	0.00
14	A₂	681	655	0.00
15	A₂	521	501	0.00
16	A₂	136	131	0.00
17	B₁	949	913	1.28
18	B₁	759	730	64.33
19	B₁	446	429	5.01
20	B₁	235	226	1.13
21	B₂	3232	3109	1.87
22	B₂	3209	3087	1.11
23	B₂	1614	1552	8.21
24	B₂	1441	1385	17.25
25	B₂	1264	1215	3.05
26	B₂	1143	1099	1.13
27	B₂	1027	988	36.53
28	B₂	744	716	17.32
29	B₂	424	408	0.54
30	B₂	335	323	0.27

Atom	y (Å)	z (Å)
C1	0.702	-0.027
C2	-0.702	-0.027
C3	1.400	1.187
C4	-1.400	1.187
C5	0.700	2.397
C6	-0.700	2.397
Cl7	1.608	-1.521
Cl8	-1.608	-1.521
H9	2.488	1.170
H10	-2.488	1.170
H11	1.252	3.337
H12	-1.252	3.337

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4039	1.4007	2.4274	2.4244	2.8006	1.7472	2.7510	2.1500	3.4072	3.4084	3.8900
C2	1.4039		2.4274	1.4007	2.8006	2.4244	2.7510	1.7472	3.4072	2.1500	3.8900	3.4084
C3	1.4007	2.4274		2.7996	1.3976	2.4236	2.7163	4.0475	1.0885	3.8880	2.1544	3.4133
C4	2.4274	1.4007	2.7996		2.4236	1.3976	4.0475	2.7163	3.8880	1.0885	3.4133	2.1544
C5	2.4244	2.8006	1.3976	2.4236		1.4003	4.0220	4.5476	2.1689	3.4166	1.0894	2.1663
C6	2.8006	2.4244	2.4236	1.3976	1.4003		4.5476	4.0220	3.4166	2.1689	2.1663	1.0894
Cl7	1.7472	2.7510	2.7163	4.0475	4.0220	4.5476		3.2163	2.8308	4.9009	4.8706	5.6370
Cl8	2.7510	1.7472	4.0475	2.7163	4.5476	4.0220	3.2163		4.9009	2.8308	5.6370	4.8706
H9	2.1500	3.4072	1.0885	3.8880	2.1689	3.4166	2.8308	4.9009		4.9764	2.4950	4.3225
H10	3.4072	2.1500	3.8880	1.0885	3.4166	2.1689	4.9009	2.8308	4.9764		4.3225	2.4950
H11	3.4084	3.8900	2.1544	3.4133	1.0894	2.1663	4.8706	5.6370	2.4950	4.3225		2.5037
H12	3.8900	3.4084	3.4133	2.1544	2.1663	1.0894	5.6370	4.8706	4.3225	2.4950	2.5037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.883	C1	C2	Cl8	121.242
C1	C3	C5	120.078	C1	C3	H9	118.946
C2	C1	C3	119.883	C2	C1	Cl7	121.242
C2	C4	C6	120.078	C2	C4	H10	118.946
C3	C1	Cl7	118.875	C3	C5	C6	120.039
C3	C5	H11	119.536	C4	C2	Cl8	118.875
C4	C6	C5	120.039	C4	C6	H12	119.536
C5	C3	H9	120.976	C5	C6	H12	120.425
C6	C4	H10	120.976	C6	C5	H11	120.425

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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