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	hartrees
Energy at 0K	-1150.004805
Energy at 298.15K	-1150.009112
HF Energy	-1148.648939
Nuclear repulsion energy	453.662510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3282	3101	1.06
2	A₁	3277	3096	1.04
3	A₁	3247	3068	3.52
4	A₁	1660	1568	23.56
5	A₁	1470	1389	14.00
6	A₁	1172	1108	21.56
7	A₁	1115	1054	10.46
8	A₁	1028	971	3.25
9	A₁	684	647	1.51
10	A₁	410	388	2.43
11	A₁	198	187	0.39
12	A₂	930	879	0.00
13	A₂	552	522	0.00
14	A₂	208	197	0.00
15	B₁	997	942	0.01
16	B₁	905	855	11.86
17	B₁	807	763	47.34
18	B₁	688	650	11.23
19	B₁	449	424	3.81
20	B₁	172	162	0.08
21	B₂	3271	3090	0.23
22	B₂	1665	1573	70.49
23	B₂	1527	1442	60.95
24	B₂	1333	1260	2.29
25	B₂	1265	1195	0.74
26	B₂	1190	1124	0.88
27	B₂	1124	1062	19.93
28	B₂	814	769	70.24
29	B₂	439	414	2.67
30	B₂	370	350	0.22

Atom	y (Å)	z (Å)
C1	0.000	2.071
C2	1.210	1.385
C3	-1.210	1.385
C4	1.193	-0.004
C5	-1.193	-0.004
C6	0.000	-0.716
Cl7	2.694	-0.879
Cl8	-2.694	-0.879
H9	0.000	3.149
H10	2.149	1.912
H11	-2.149	1.912
H12	0.000	-1.792

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3905	1.3905	2.3929	2.3929	2.7865	3.9946	3.9946	1.0785	2.1547	2.1547	3.8628
C2	1.3905		2.4192	1.3888	2.7747	2.4240	2.7069	4.5124	2.1392	1.0770	3.3996	3.3994
C3	1.3905	2.4192		2.7747	1.3888	2.4240	4.5124	2.7069	2.1392	3.3996	1.0770	3.3994
C4	2.3929	1.3888	2.7747		2.3852	1.3889	1.7377	3.9839	3.3711	2.1411	3.8517	2.1494
C5	2.3929	2.7747	1.3888	2.3852		1.3889	3.9839	1.7377	3.3711	3.8517	2.1411	2.1494
C6	2.7865	2.4240	2.4240	1.3889	1.3889		2.6990	2.6990	3.8651	3.3945	3.3945	1.0763
Cl7	3.9946	2.7069	4.5124	1.7377	3.9839	2.6990		5.3881	4.8458	2.8433	5.5894	2.8447
Cl8	3.9946	4.5124	2.7069	3.9839	1.7377	2.6990	5.3881		4.8458	5.5894	2.8433	2.8447
H9	1.0785	2.1392	2.1392	3.3711	3.3711	3.8651	4.8458	4.8458		2.4796	2.4796	4.9413
H10	2.1547	1.0770	3.3996	2.1411	3.8517	3.3945	2.8433	5.5894	2.4796		4.2977	4.2822
H11	2.1547	3.3996	1.0770	3.8517	2.1411	3.3945	5.5894	2.8433	2.4796	4.2977		4.2822
H12	3.8628	3.3994	3.3994	2.1494	2.1494	1.0763	2.8447	2.8447	4.9413	4.2822	4.2822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.853	C1	C2	H10	121.148
C1	C3	C5	118.853	C1	C3	H11	121.148
C2	C1	C3	120.892	C2	C1	H9	119.554
C2	C4	C6	121.537	C2	C4	Cl7	119.525
C3	C1	H9	119.554	C3	C5	C6	121.537
C3	C5	Cl8	119.525	C4	C2	H10	119.999
C4	C6	C5	118.327	C4	C6	H12	120.836
C5	C3	H11	119.999	C5	C6	H12	120.836
C6	C4	Cl7	118.937	C6	C5	Cl8	118.937

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

using model chemistry: MP3/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: MP3/cc-pVTZ

States and conformations

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