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	hartrees
Energy at 0K	-1150.127131
Energy at 298.15K	-1150.131469
HF Energy	-1148.649284
Nuclear repulsion energy	455.390430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	3110	1.56
2	A₁	3270	3105	0.56
3	A₁	3233	3069	2.85
4	A₁	1631	1548	22.89
5	A₁	1448	1375	14.14
6	A₁	1168	1109	21.49
7	A₁	1108	1052	10.42
8	A₁	1025	973	3.08
9	A₁	677	643	1.38
10	A₁	410	389	2.13
11	A₁	198	188	0.34
12	A₂	934	887	0.00
13	A₂	564	536	0.00
14	A₂	208	197	0.00
15	B₁	1005	954	0.21
16	B₁	924	878	14.71
17	B₁	816	774	35.93
18	B₁	711	675	17.98
19	B₁	453	430	4.24
20	B₁	173	164	0.12
21	B₂	3264	3099	0.03
22	B₂	1634	1552	70.25
23	B₂	1505	1429	56.33
24	B₂	1478	1403	6.92
25	B₂	1296	1231	4.73
26	B₂	1201	1141	0.23
27	B₂	1114	1058	19.36
28	B₂	814	772	68.06
29	B₂	436	414	2.19
30	B₂	369	351	0.20

Atom	y (Å)	z (Å)
C1	0.000	2.064
C2	1.206	1.380
C3	-1.206	1.380
C4	1.190	-0.006
C5	-1.190	-0.006
C6	0.000	-0.714
Cl7	2.682	-0.875
Cl8	-2.682	-0.875
H9	0.000	3.140
H10	2.144	1.904
H11	-2.144	1.904
H12	0.000	-1.788

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3865	1.3865	2.3871	2.3871	2.7783	3.9790	3.9790	1.0762	2.1498	2.1498	3.8521
C2	1.3865		2.4119	1.3855	2.7674	2.4166	2.6952	4.4948	2.1338	1.0745	3.3906	3.3898
C3	1.3865	2.4119		2.7674	1.3855	2.4166	4.4948	2.6952	2.1338	3.3906	1.0745	3.3898
C4	2.3871	1.3855	2.7674		2.3795	1.3849	1.7274	3.9685	3.3632	2.1347	3.8418	2.1432
C5	2.3871	2.7674	1.3855	2.3795		1.3849	3.9685	1.7274	3.3632	3.8418	2.1347	2.1432
C6	2.7783	2.4166	2.4166	1.3849	1.3849		2.6872	2.6872	3.8545	3.3841	3.3841	1.0738
Cl7	3.9790	2.6952	4.4948	1.7274	3.9685	2.6872		5.3647	4.8287	2.8307	5.5692	2.8335
Cl8	3.9790	4.4948	2.6952	3.9685	1.7274	2.6872	5.3647		4.8287	5.5692	2.8307	2.8335
H9	1.0762	2.1338	2.1338	3.3632	3.3632	3.8545	4.8287	4.8287		2.4747	2.4747	4.9283
H10	2.1498	1.0745	3.3906	2.1347	3.8418	3.3841	2.8307	5.5692	2.4747		4.2878	4.2695
H11	2.1498	3.3906	1.0745	3.8418	2.1347	3.3841	5.5692	2.8307	2.4747	4.2878		4.2695
H12	3.8521	3.3898	3.3898	2.1432	2.1432	1.0738	2.8335	2.8335	4.9283	4.2695	4.2695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.896	C1	C2	H10	121.237
C1	C3	C5	118.896	C1	C3	H11	121.237
C2	C1	C3	120.869	C2	C1	H9	119.565
C2	C4	C6	121.454	C2	C4	Cl7	119.551
C3	C1	H9	119.565	C3	C5	C6	121.454
C3	C5	Cl8	119.551	C4	C2	H10	119.867
C4	C6	C5	118.431	C4	C6	H12	120.785
C5	C3	H11	119.867	C5	C6	H12	120.785
C6	C4	Cl7	118.995	C6	C5	Cl8	118.995

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

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