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	hartrees
Energy at 0K	-1149.994741
Energy at 298.15K	-1149.999051
HF Energy	-1148.648931
Nuclear repulsion energy	453.691043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3044	0.88
2	A₁	3255	3039	1.42
3	A₁	3225	3012	3.73
4	A₁	1662	1552	21.94
5	A₁	1469	1372	14.01
6	A₁	1174	1097	20.50
7	A₁	1116	1042	9.77
8	A₁	1028	960	3.22
9	A₁	684	638	1.46
10	A₁	410	382	2.22
11	A₁	198	185	0.40
12	A₂	931	869	0.00
13	A₂	553	516	0.00
14	A₂	208	195	0.00
15	B₁	999	932	0.02
16	B₁	907	847	12.17
17	B₁	808	754	45.22
18	B₁	692	646	12.23
19	B₁	449	419	3.75
20	B₁	172	160	0.08
21	B₂	3250	3034	0.37
22	B₂	1666	1556	66.65
23	B₂	1526	1425	58.89
24	B₂	1335	1246	1.97
25	B₂	1277	1192	1.12
26	B₂	1193	1114	0.63
27	B₂	1126	1051	18.99
28	B₂	815	761	65.98
29	B₂	438	409	2.37
30	B₂	370	346	0.19

Atom	y (Å)	z (Å)
C1	0.000	2.070
C2	1.209	1.384
C3	-1.209	1.384
C4	1.193	-0.004
C5	-1.193	-0.004
C6	0.000	-0.715
Cl7	2.694	-0.879
Cl8	-2.694	-0.879
H9	0.000	3.150
H10	2.149	1.913
H11	-2.149	1.913
H12	0.000	-1.793

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3899	1.3899	2.3924	2.3924	2.7850	3.9942	3.9942	1.0802	2.1552	2.1552	3.8630
C2	1.3899		2.4180	1.3884	2.7739	2.4225	2.7068	4.5117	2.1401	1.0787	3.3997	3.3995
C3	1.3899	2.4180		2.7739	1.3884	2.4225	4.5117	2.7068	2.1401	3.3997	1.0787	3.3995
C4	2.3924	1.3884	2.7739		2.3852	1.3885	1.7378	3.9840	3.3721	2.1422	3.8526	2.1500
C5	2.3924	2.7739	1.3884	2.3852		1.3885	3.9840	1.7378	3.3721	3.8526	2.1422	2.1500
C6	2.7850	2.4225	2.4225	1.3885	1.3885		2.6991	2.6991	3.8652	3.3948	3.3948	1.0779
Cl7	3.9942	2.7068	4.5117	1.7378	3.9840	2.6991		5.3883	4.8467	2.8440	5.5903	2.8451
Cl8	3.9942	4.5117	2.7068	3.9840	1.7378	2.6991	5.3883		4.8467	5.5903	2.8440	2.8451
H9	1.0802	2.1401	2.1401	3.3721	3.3721	3.8652	4.8467	4.8467		2.4802	2.4802	4.9432
H10	2.1552	1.0787	3.3997	2.1422	3.8526	3.3948	2.8440	5.5903	2.4802		4.2988	4.2838
H11	2.1552	3.3997	1.0787	3.8526	2.1422	3.3948	5.5903	2.8440	2.4802	4.2988		4.2838
H12	3.8630	3.3995	3.3995	2.1500	2.1500	1.0779	2.8451	2.8451	4.9432	4.2838	4.2838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.885	C1	C2	H10	121.110
C1	C3	C5	118.885	C1	C3	H11	121.110
C2	C1	C3	120.877	C2	C1	H9	119.562
C2	C4	C6	121.481	C2	C4	Cl7	119.545
C3	C1	H9	119.562	C3	C5	C6	121.481
C3	C5	Cl8	119.545	C4	C2	H10	120.005
C4	C6	C5	118.392	C4	C6	H12	120.804
C5	C3	H11	120.005	C5	C6	H12	120.804
C6	C4	Cl7	118.974	C6	C5	Cl8	118.974

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

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

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