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	hartrees
Energy at 0K	-1149.607487
Energy at 298.15K
HF Energy	-1148.514001
Nuclear repulsion energy	452.055307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3294	3104	0.67
2	A₁	3291	3102	3.22
3	A₁	3265	3077	4.63
4	A₁	1674	1577	21.64
5	A₁	1482	1397	11.42
6	A₁	1184	1116	19.63
7	A₁	1126	1061	12.50
8	A₁	1027	968	3.96
9	A₁	687	647	1.47
10	A₁	411	387	2.12
11	A₁	200	188	0.37
12	A₂	877	826	0.00
13	A₂	427	402	0.00
14	A₂	195	184	0.00
15	B₁	924	871	0.41
16	B₁	842	794	2.56
17	B₁	763	719	77.16
18	B₁	415	391	3.76
19	B₁	162	152	0.23
20	B₁	156i	147i	0.04
21	B₂	3286	3096	1.57
22	B₂	1682	1585	73.86
23	B₂	1542	1453	51.98
24	B₂	1354	1276	1.31
25	B₂	1294	1219	0.45
26	B₂	1214	1144	0.73
27	B₂	1143	1078	20.45
28	B₂	821	773	65.70
29	B₂	440	414	2.40
30	B₂	373	352	0.26

Atom	y (Å)	z (Å)
C1	0.000	2.078
C2	1.214	1.390
C3	-1.214	1.390
C4	1.199	-0.004
C5	-1.199	-0.004
C6	0.000	-0.717
Cl7	2.703	-0.883
Cl8	-2.703	-0.883
H9	0.000	3.160
H10	2.155	1.922
H11	-2.155	1.922
H12	0.000	-1.797

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3957	1.3957	2.4030	2.4030	2.7952	4.0093	4.0093	1.0820	2.1606	2.1606	3.8754
C2	1.3957		2.4282	1.3944	2.7866	2.4316	2.7170	4.5287	2.1467	1.0807	3.4108	3.4105
C3	1.3957	2.4282		2.7866	1.3944	2.4316	4.5287	2.7170	2.1467	3.4108	1.0807	3.4105
C4	2.4030	1.3944	2.7866		2.3971	1.3943	1.7421	3.9993	3.3840	2.1505	3.8673	2.1565
C5	2.4030	2.7866	1.3944	2.3971		1.3943	3.9993	1.7421	3.3840	3.8673	2.1505	2.1565
C6	2.7952	2.4316	2.4316	1.3943	1.3943		2.7082	2.7082	3.8771	3.4067	3.4067	1.0803
Cl7	4.0093	2.7170	4.5287	1.7421	3.9993	2.7082		5.4061	4.8634	2.8576	5.6094	2.8535
Cl8	4.0093	4.5287	2.7170	3.9993	1.7421	2.7082	5.4061		4.8634	5.6094	2.8576	2.8535
H9	1.0820	2.1467	2.1467	3.3840	3.3840	3.8771	4.8634	4.8634		2.4855	2.4855	4.9574
H10	2.1606	1.0807	3.4108	2.1505	3.8673	3.4067	2.8576	5.6094	2.4855		4.3099	4.2981
H11	2.1606	3.4108	1.0807	3.8673	2.1505	3.4067	5.6094	2.8576	2.4855	4.3099		4.2981
H12	3.8754	3.4105	3.4105	2.1565	2.1565	1.0803	2.8535	2.8535	4.9574	4.2981	4.2981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.914	C1	C2	H10	120.970
C1	C3	C5	118.914	C1	C3	H11	120.970
C2	C1	C3	120.895	C2	C1	H9	119.553
C2	C4	C6	121.367	C2	C4	Cl7	119.639
C3	C1	H9	119.553	C3	C5	C6	121.367
C3	C5	Cl8	119.639	C4	C2	H10	120.116
C4	C6	C5	118.544	C4	C6	H12	120.728
C5	C3	H11	120.116	C5	C6	H12	120.728
C6	C4	Cl7	118.994	C6	C5	Cl8	118.994

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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