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	hartrees
Energy at 0K	-1149.956573
Energy at 298.15K	-1149.960747
HF Energy	-1148.640072
Nuclear repulsion energy	453.943030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3093	2.11
2	A₁	3250	3092	0.01
3	A₁	3223	3066	2.77
4	A₁	1617	1538	22.16
5	A₁	1439	1370	13.14
6	A₁	1153	1097	20.18
7	A₁	1099	1045	12.35
8	A₁	1008	959	3.72
9	A₁	671	639	1.42
10	A₁	406	386	2.17
11	A₁	198	188	0.32
12	A₂	900	857	0.00
13	A₂	545	518	0.00
14	A₂	203	193	0.00
15	B₁	948	902	0.14
16	B₁	871	829	9.95
17	B₁	784	746	53.80
18	B₁	637	606	5.41
19	B₁	439	418	4.05
20	B₁	169	161	0.18
21	B₂	3245	3087	0.04
22	B₂	1617	1538	68.28
23	B₂	1492	1420	58.36
24	B₂	1461	1390	3.85
25	B₂	1291	1228	3.79
26	B₂	1187	1129	0.52
27	B₂	1108	1054	21.38
28	B₂	805	766	68.85
29	B₂	432	411	2.38
30	B₂	368	350	0.22

Atom	y (Å)	z (Å)
C1	0.000	2.072
C2	1.213	1.386
C3	-1.213	1.386
C4	1.194	-0.006
C5	-1.194	-0.006
C6	0.000	-0.721
Cl7	2.690	-0.878
Cl8	-2.690	-0.878
H9	0.000	3.154
H10	2.154	1.915
H11	-2.154	1.915
H12	0.000	-1.801

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3934	1.3934	2.3969	2.3969	2.7933	3.9924	3.9924	1.0813	2.1600	2.1600	3.8732
C2	1.3934		2.4250	1.3918	2.7799	2.4307	2.7030	4.5113	2.1438	1.0801	3.4081	3.4094
C3	1.3934	2.4250		2.7799	1.3918	2.4307	4.5113	2.7030	2.1438	3.4081	1.0801	3.4094
C4	2.3969	1.3918	2.7799		2.3880	1.3917	1.7314	3.9805	3.3777	2.1473	3.8600	2.1557
C5	2.3969	2.7799	1.3918	2.3880		1.3917	3.9805	1.7314	3.3777	3.8600	2.1473	2.1557
C6	2.7933	2.4307	2.4307	1.3917	1.3917		2.6944	2.6944	3.8746	3.4040	3.4040	1.0798
Cl7	3.9924	2.7030	4.5113	1.7314	3.9805	2.6944		5.3798	4.8465	2.8434	5.5914	2.8438
Cl8	3.9924	4.5113	2.7030	3.9805	1.7314	2.6944	5.3798		4.8465	5.5914	2.8434	2.8438
H9	1.0813	2.1438	2.1438	3.3777	3.3777	3.8746	4.8465	4.8465		2.4852	2.4852	4.9545
H10	2.1600	1.0801	3.4081	2.1473	3.8600	3.4040	2.8434	5.5914	2.4852		4.3086	4.2948
H11	2.1600	3.4081	1.0801	3.8600	2.1473	3.4040	5.5914	2.8434	2.4852	4.3086		4.2948
H12	3.8732	3.4094	3.4094	2.1557	2.1557	1.0798	2.8438	2.8438	4.9545	4.2948	4.2948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.760	C1	C2	H10	121.156
C1	C3	C5	118.760	C1	C3	H11	121.156
C2	C1	C3	120.954	C2	C1	H9	119.523
C2	C4	C6	121.677	C2	C4	Cl7	119.472
C3	C1	H9	119.523	C3	C5	C6	121.677
C3	C5	Cl8	119.472	C4	C2	H10	120.084
C4	C6	C5	118.172	C4	C6	H12	120.914
C5	C3	H11	120.084	C5	C6	H12	120.914
C6	C4	Cl7	118.851	C6	C5	Cl8	118.851

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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