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	hartrees
Energy at 0K	-1143.893369
Energy at 298.15K	-1143.897587
HF Energy	-1143.052857
Nuclear repulsion energy	465.441722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3199	3060	5.26
2	A₁	3180	3042	4.80
3	A₁	1591	1522	0.65
4	A₁	1516	1450	46.45
5	A₁	1255	1200	0.06
6	A₁	1176	1125	1.88
7	A₁	1155	1105	24.33
8	A₁	1051	1005	5.75
9	A₁	692	662	11.05
10	A₁	479	458	7.00
11	A₁	204	195	0.00
12	A₂	944	903	0.00
13	A₂	863	825	0.00
14	A₂	687	657	0.00
15	A₂	521	498	0.00
16	A₂	140	134	0.00
17	B₁	935	894	2.57
18	B₁	765	731	77.50
19	B₁	450	430	6.24
20	B₁	237	227	1.23
21	B₂	3192	3053	2.76
22	B₂	3168	3030	1.20
23	B₂	1606	1537	3.08
24	B₂	1488	1423	15.83
25	B₂	1318	1261	4.48
26	B₂	1166	1115	4.00
27	B₂	1093	1046	26.28
28	B₂	768	734	14.16
29	B₂	437	418	0.65
30	B₂	344	329	0.23

Atom	y (Å)	z (Å)
C1	0.701	-0.026
C2	-0.701	-0.026
C3	1.402	1.191
C4	-1.402	1.191
C5	0.703	2.406
C6	-0.703	2.406
Cl7	1.613	-1.526
Cl8	-1.613	-1.526
H9	2.490	1.172
H10	-2.490	1.172
H11	1.254	3.345
H12	-1.254	3.345

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4026	1.4041	2.4299	2.4324	2.8087	1.7553	2.7580	2.1528	3.4086	3.4161	3.8971
C2	1.4026		2.4299	1.4041	2.8087	2.4324	2.7580	1.7553	3.4086	2.1528	3.8971	3.4161
C3	1.4041	2.4299		2.8040	1.4022	2.4307	2.7248	4.0585	1.0879	3.8918	2.1594	3.4198
C4	2.4299	1.4041	2.8040		2.4307	1.4022	4.0585	2.7248	3.8918	1.0879	3.4198	2.1594
C5	2.4324	2.8087	1.4022	2.4307		1.4059	4.0362	4.5637	2.1716	3.4229	1.0885	2.1704
C6	2.8087	2.4324	2.4307	1.4022	1.4059		4.5637	4.0362	3.4229	2.1716	2.1704	1.0885
Cl7	1.7553	2.7580	2.7248	4.0585	4.0362	4.5637		3.2264	2.8369	4.9106	4.8842	5.6521
Cl8	2.7580	1.7553	4.0585	2.7248	4.5637	4.0362	3.2264		4.9106	2.8369	5.6521	4.8842
H9	2.1528	3.4086	1.0879	3.8918	2.1716	3.4229	2.8369	4.9106		4.9795	2.4997	4.3285
H10	3.4086	2.1528	3.8918	1.0879	3.4229	2.1716	4.9106	2.8369	4.9795		4.3285	2.4997
H11	3.4161	3.8971	2.1594	3.4198	1.0885	2.1704	4.8842	5.6521	2.4997	4.3285		2.5078
H12	3.8971	3.4161	3.4198	2.1594	2.1704	1.0885	5.6521	4.8842	4.3285	2.4997	2.5078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.935	C1	C2	Cl8	121.300
C1	C3	C5	120.164	C1	C3	H9	118.959
C2	C1	C3	119.935	C2	C1	Cl7	121.300
C2	C4	C6	120.164	C2	C4	H10	118.959
C3	C1	Cl7	118.764	C3	C5	C6	119.901
C3	C5	H11	119.691	C4	C2	Cl8	118.764
C4	C6	C5	119.901	C4	C6	H12	119.691
C5	C3	H9	120.877	C5	C6	H12	120.408
C6	C4	H10	120.877	C6	C5	H11	120.408

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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