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	hartrees
Energy at 0K	-1149.673801
Energy at 298.15K	-1149.677865
HF Energy	-1148.568595
Nuclear repulsion energy	449.243300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3111	1.51
2	A₁	3242	3109	1.02
3	A₁	3217	3085	3.36
4	A₁	1604	1538	20.46
5	A₁	1416	1358	14.26
6	A₁	1143	1096	20.88
7	A₁	1088	1043	12.77
8	A₁	998	957	4.50
9	A₁	663	636	1.50
10	A₁	401	384	2.23
11	A₁	196	188	0.33
12	A₂	870	834	0.00
13	A₂	525	503	0.00
14	A₂	199	191	0.00
15	B₁	937	898	0.21
16	B₁	824	791	4.29
17	B₁	756	725	62.07
18	B₁	583	559	0.81
19	B₁	428	411	4.88
20	B₁	166	159	0.17
21	B₂	3239	3106	0.14
22	B₂	1604	1538	70.35
23	B₂	1478	1418	9.64
24	B₂	1456	1396	56.72
25	B₂	1272	1220	4.29
26	B₂	1172	1124	0.20
27	B₂	1098	1053	19.53
28	B₂	793	761	71.05
29	B₂	427	410	2.78
30	B₂	364	349	0.26

Atom	y (Å)	z (Å)
C1	0.000	2.091
C2	1.224	1.400
C3	-1.224	1.400
C4	1.204	-0.005
C5	-1.204	-0.005
C6	0.000	-0.730
Cl7	2.716	-0.886
Cl8	-2.716	-0.886
H9	0.000	3.185
H10	2.177	1.933
H11	-2.177	1.933
H12	0.000	-1.822

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4064	1.4064	2.4178	2.4178	2.8212	4.0306	4.0306	1.0938	2.1831	2.1831	3.9130
C2	1.4064		2.4490	1.4052	2.8055	2.4564	2.7298	4.5559	2.1651	1.0922	3.4435	3.4462
C3	1.4064	2.4490		2.8055	1.4052	2.4564	4.5559	2.7298	2.1651	3.4435	1.0922	3.4462
C4	2.4178	1.4052	2.8055		2.4076	1.4049	1.7505	4.0180	3.4101	2.1694	3.8975	2.1790
C5	2.4178	2.8055	1.4052	2.4076		1.4049	4.0180	1.7505	3.4101	3.8975	2.1694	2.1790
C6	2.8212	2.4564	2.4564	1.4049	1.4049		2.7210	2.7210	3.9150	3.4399	3.4399	1.0919
Cl7	4.0306	2.7298	4.5559	1.7505	4.0180	2.7210		5.4329	4.8945	2.8707	5.6480	2.8730
Cl8	4.0306	4.5559	2.7298	4.0180	1.7505	2.7210	5.4329		4.8945	5.6480	2.8707	2.8730
H9	1.0938	2.1651	2.1651	3.4101	3.4101	3.9150	4.8945	4.8945		2.5117	2.5117	5.0068
H10	2.1831	1.0922	3.4435	2.1694	3.8975	3.4399	2.8707	5.6480	2.5117		4.3548	4.3405
H11	2.1831	3.4435	1.0922	3.8975	2.1694	3.4399	5.6480	2.8707	2.5117	4.3548		4.3405
H12	3.9130	3.4462	3.4462	2.1790	2.1790	1.0919	2.8730	2.8730	5.0068	4.3405	4.3405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.621	C1	C2	H10	121.288
C1	C3	C5	118.621	C1	C3	H11	121.288
C2	C1	C3	121.072	C2	C1	H9	119.464
C2	C4	C6	121.881	C2	C4	Cl7	119.373
C3	C1	H9	119.464	C3	C5	C6	121.881
C3	C5	Cl8	119.373	C4	C2	H10	120.092
C4	C6	C5	117.924	C4	C6	H12	121.038
C5	C3	H11	120.092	C5	C6	H12	121.038
C6	C4	Cl7	118.746	C6	C5	Cl8	118.746

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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