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	hartrees
Energy at 0K	-1137.893867
Energy at 298.15K	-1137.897665
HF Energy	-1137.761596
Nuclear repulsion energy	459.363406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3522	3522	9.59
2	A₁	3508	3508	4.53
3	A₁	1707	1707	0.58
4	A₁	1588	1588	57.65
5	A₁	1294	1294	0.00
6	A₁	1253	1253	21.55
7	A₁	1235	1235	7.84
8	A₁	1107	1107	0.02
9	A₁	702	702	9.89
10	A₁	497	497	4.95
11	A₁	185	185	0.29
12	A₂	1063	1063	0.00
13	A₂	930	930	0.00
14	A₂	738	738	0.00
15	A₂	527	527	0.00
16	A₂	145	145	0.00
17	B₁	1023	1023	1.70
18	B₁	810	810	31.99
19	B₁	456	456	0.42
20	B₁	237	237	0.29
21	B₂	3514	3514	33.53
22	B₂	3497	3497	1.04
23	B₂	1718	1718	4.05
24	B₂	1559	1559	23.47
25	B₂	1344	1344	3.62
26	B₂	1218	1218	9.10
27	B₂	1118	1118	23.89
28	B₂	801	801	9.66
29	B₂	433	433	1.66
30	B₂	332	332	0.30

Atom	y (Å)	z (Å)
C1	0.710	-0.010
C2	-0.710	-0.010
C3	1.417	1.215
C4	-1.417	1.215
C5	0.705	2.432
C6	-0.705	2.432
Cl7	1.635	-1.553
Cl8	-1.635	-1.553
H9	2.514	1.202
H10	-2.514	1.202
H11	1.257	3.380
H12	-1.257	3.380

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4204	1.4142	2.4544	2.4416	2.8223	1.7986	2.8069	2.1730	3.4444	3.4342	3.9199
C2	1.4204		2.4544	1.4142	2.8223	2.4416	2.8069	1.7986	3.4444	2.1730	3.9199	3.4342
C3	1.4142	2.4544		2.8331	1.4092	2.4459	2.7766	4.1196	1.0976	3.9307	2.1710	3.4406
C4	2.4544	1.4142	2.8331		2.4459	1.4092	4.1196	2.7766	3.9307	1.0976	3.4406	2.1710
C5	2.4416	2.8223	1.4092	2.4459		1.4107	4.0915	4.6208	2.1874	3.4464	1.0976	2.1799
C6	2.8223	2.4416	2.4459	1.4092	1.4107		4.6208	4.0915	3.4464	2.1874	2.1799	1.0976
Cl7	1.7986	2.8069	2.7766	4.1196	4.0915	4.6208		3.2691	2.8915	4.9798	4.9476	5.7184
Cl8	2.8069	1.7986	4.1196	2.7766	4.6208	4.0915	3.2691		4.9798	2.8915	5.7184	4.9476
H9	2.1730	3.4444	1.0976	3.9307	2.1874	3.4464	2.8915	4.9798		5.0282	2.5152	4.3556
H10	3.4444	2.1730	3.9307	1.0976	3.4464	2.1874	4.9798	2.8915	5.0282		4.3556	2.5152
H11	3.4342	3.9199	2.1710	3.4406	1.0976	2.1799	4.9476	5.7184	2.5152	4.3556		2.5148
H12	3.9199	3.4342	3.4406	2.1710	2.1799	1.0976	5.7184	4.9476	4.3556	2.5152	2.5148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.966	C1	C2	Cl8	120.925
C1	C3	C5	119.722	C1	C3	H9	119.258
C2	C1	C3	119.966	C2	C1	Cl7	120.925
C2	C4	C6	119.722	C2	C4	H10	119.258
C3	C1	Cl7	119.109	C3	C5	C6	120.312
C3	C5	H11	119.492	C4	C2	Cl8	119.109
C4	C6	C5	120.312	C4	C6	H12	119.492
C5	C3	H9	121.019	C5	C6	H12	120.196
C6	C4	H10	121.019	C6	C5	H11	120.196

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

using model chemistry: B2PLYP=FULL/STO-3G

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/STO-3G

States and conformations

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