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	hartrees
Energy at 0K	-1149.906008
Energy at 298.15K
HF Energy	-1148.608694
Nuclear repulsion energy	468.665884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3252	3082	5.43
2	A₁	3236	3066	5.79
3	A₁	1646	1560	4.23
4	A₁	1525	1445	54.40
5	A₁	1267	1201	1.07
6	A₁	1194	1131	3.61
7	A₁	1176	1114	32.09
8	A₁	1072	1016	7.25
9	A₁	679	643	13.08
10	A₁	488	463	5.13
11	A₁	206	195	0.00
12	A₂	778	737	0.00
13	A₂	736	697	0.00
14	A₂	310	293	0.00
15	A₂	112	106	0.00
16	A₂	1482i	1404i	0.00
17	B₁	737	698	4.19
18	B₁	714	677	63.77
19	B₁	311	294	3.79
20	B₁	200	189	0.52
21	B₂	3247	3076	4.04
22	B₂	3222	3053	1.07
23	B₂	1659	1572	7.42
24	B₂	1487	1409	16.66
25	B₂	1301	1233	2.79
26	B₂	1170	1109	1.85
27	B₂	1045	990	34.54
28	B₂	759	720	12.98
29	B₂	432	409	0.45
30	B₂	339	322	0.09

Atom	y (Å)	z (Å)
C1	0.696	-0.028
C2	-0.696	-0.028
C3	1.388	1.181
C4	-1.388	1.181
C5	0.696	2.385
C6	-0.696	2.385
Cl7	1.612	-1.512
Cl8	-1.612	-1.512
H9	2.469	1.165
H10	-2.469	1.165
H11	1.244	3.317
H12	-1.244	3.317

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3929	1.3924	2.4094	2.4122	2.7852	1.7447	2.7451	2.1360	3.3822	3.3890	3.8667
C2	1.3929		2.4094	1.3924	2.7852	2.4122	2.7451	1.7447	3.3822	2.1360	3.8667	3.3890
C3	1.3924	2.4094		2.7758	1.3883	2.4065	2.7029	4.0320	1.0807	3.8564	2.1406	3.3897
C4	2.4094	1.3924	2.7758		2.4065	1.3883	4.0320	2.7029	3.8564	1.0807	3.3897	2.1406
C5	2.4122	2.7852	1.3883	2.4065		1.3919	4.0034	4.5295	2.1516	3.3914	1.0815	2.1526
C6	2.7852	2.4122	2.4065	1.3883	1.3919		4.5295	4.0034	3.3914	2.1516	2.1526	1.0815
Cl7	1.7447	2.7451	2.7029	4.0320	4.0034	4.5295		3.2248	2.8111	4.8809	4.8433	5.6110
Cl8	2.7451	1.7447	4.0320	2.7029	4.5295	4.0034	3.2248		4.8809	2.8111	5.6110	4.8433
H9	2.1360	3.3822	1.0807	3.8564	2.1516	3.3914	2.8111	4.8809		4.9370	2.4757	4.2913
H10	3.3822	2.1360	3.8564	1.0807	3.3914	2.1516	4.8809	2.8111	4.9370		4.2913	2.4757
H11	3.3890	3.8667	2.1406	3.3897	1.0815	2.1526	4.8433	5.6110	2.4757	4.2913		2.4886
H12	3.8667	3.3890	3.3897	2.1406	2.1526	1.0815	5.6110	4.8433	4.2913	2.4757	2.4886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.774	C1	C2	Cl8	121.667
C1	C3	C5	120.332	C1	C3	H9	118.926
C2	C1	C3	119.774	C2	C1	Cl7	121.667
C2	C4	C6	120.332	C2	C4	H10	118.926
C3	C1	Cl7	118.558	C3	C5	C6	119.894
C3	C5	H11	119.642	C4	C2	Cl8	118.558
C4	C6	C5	119.894	C4	C6	H12	119.642
C5	C3	H9	120.743	C5	C6	H12	120.464
C6	C4	H10	120.743	C6	C5	H11	120.464

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

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

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