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	hartrees
Energy at 0K	-1149.708278
Energy at 298.15K
HF Energy	-1148.613231
Nuclear repulsion energy	452.483991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3090	2.37
2	A₁	3258	3089	0.18
3	A₁	3232	3063	3.45
4	A₁	1624	1539	25.63
5	A₁	1450	1375	12.11
6	A₁	1153	1093	16.98
7	A₁	1105	1047	15.72
8	A₁	1000	947	5.59
9	A₁	675	640	1.31
10	A₁	404	383	2.28
11	A₁	197	187	0.37
12	A₂	697	660	0.00
13	A₂	285	271	0.00
14	A₂	108	103	0.00
15	B₁	751	712	9.58
16	B₁	711	674	25.28
17	B₁	647	613	41.57
18	B₁	171	162	0.70
19	B₁	18	17	0.04
20	B₁	1593i	1510i	0.12
21	B₂	3254	3084	0.28
22	B₂	1625	1540	75.99
23	B₂	1501	1423	61.74
24	B₂	1437	1362	0.77
25	B₂	1307	1239	2.96
26	B₂	1201	1138	0.58
27	B₂	1118	1059	21.43
28	B₂	806	764	69.95
29	B₂	433	410	2.74
30	B₂	367	348	0.22

Atom	y (Å)	z (Å)
C1	0.000	2.074
C2	1.212	1.389
C3	-1.212	1.389
C4	1.194	-0.002
C5	-1.194	-0.002
C6	0.000	-0.715
Cl7	2.702	-0.882
Cl8	-2.702	-0.882
H9	0.000	3.157
H10	2.154	1.919
H11	-2.154	1.919
H12	0.000	-1.796

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3921	1.3921	2.3950	2.3950	2.7892	4.0049	4.0049	1.0828	2.1593	2.1593	3.8703
C2	1.3921		2.4232	1.3908	2.7785	2.4276	2.7160	4.5245	2.1436	1.0814	3.4070	3.4074
C3	1.3921	2.4232		2.7785	1.3908	2.4276	4.5245	2.7160	2.1436	3.4070	1.0814	3.4074
C4	2.3950	1.3908	2.7785		2.3877	1.3905	1.7459	3.9938	3.3771	2.1479	3.8599	2.1549
C5	2.3950	2.7785	1.3908	2.3877		1.3905	3.9938	1.7459	3.3771	3.8599	2.1479	2.1549
C6	2.7892	2.4276	2.4276	1.3905	1.3905		2.7070	2.7070	3.8720	3.4028	3.4028	1.0810
Cl7	4.0049	2.7160	4.5245	1.7459	3.9938	2.7070		5.4037	4.8593	2.8546	5.6058	2.8523
Cl8	4.0049	4.5245	2.7160	3.9938	1.7459	2.7070	5.4037		4.8593	5.6058	2.8546	2.8523
H9	1.0828	2.1436	2.1436	3.3771	3.3771	3.8720	4.8593	4.8593		2.4840	2.4840	4.9531
H10	2.1593	1.0814	3.4070	2.1479	3.8599	3.4028	2.8546	5.6058	2.4840		4.3075	4.2946
H11	2.1593	3.4070	1.0814	3.8599	2.1479	3.4028	5.6058	2.8546	2.4840	4.3075		4.2946
H12	3.8703	3.4074	3.4074	2.1549	2.1549	1.0810	2.8523	2.8523	4.9531	4.2946	4.2946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.771	C1	C2	H10	121.098
C1	C3	C5	118.771	C1	C3	H11	121.098
C2	C1	C3	120.994	C2	C1	H9	119.503
C2	C4	C6	121.578	C2	C4	Cl7	119.532
C3	C1	H9	119.503	C3	C5	C6	121.578
C3	C5	Cl8	119.532	C4	C2	H10	120.131
C4	C6	C5	118.308	C4	C6	H12	120.846
C5	C3	H11	120.131	C5	C6	H12	120.846
C6	C4	Cl7	118.890	C6	C5	Cl8	118.890

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

using model chemistry: MP2/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 (1,3-dichlorobenzene)

using model chemistry: MP2/TZVP

States and conformations

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