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	hartrees
Energy at 0K	-1149.448842
Energy at 298.15K	-1149.453258
HF Energy	-1148.588882
Nuclear repulsion energy	455.008697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3350	3112	0.33
2	A₁	3345	3108	3.87
3	A₁	3316	3081	5.15
4	A₁	1728	1605	26.75
5	A₁	1528	1420	18.02
6	A₁	1217	1131	24.22
7	A₁	1158	1076	10.77
8	A₁	1055	980	5.15
9	A₁	710	659	1.77
10	A₁	426	395	2.47
11	A₁	207	193	0.23
12	A₂	946	879	0.00
13	A₂	561	521	0.00
14	A₂	215	200	0.00
15	B₁	1005	933	0.12
16	B₁	910	846	7.93
17	B₁	819	761	73.45
18	B₁	649	603	6.94
19	B₁	462	429	6.30
20	B₁	178	165	0.24
21	B₂	3339	3103	1.49
22	B₂	1735	1612	80.78
23	B₂	1587	1474	72.57
24	B₂	1390	1291	1.50
25	B₂	1298	1206	0.11
26	B₂	1230	1142	1.57
27	B₂	1173	1089	24.51
28	B₂	845	785	80.21
29	B₂	457	424	2.50
30	B₂	388	360	0.62

Atom	y (Å)	z (Å)
C1	0.000	2.064
C2	1.205	1.380
C3	-1.205	1.380
C4	1.189	-0.004
C5	-1.189	-0.004
C6	0.000	-0.711
Cl7	2.686	-0.877
Cl8	-2.686	-0.877
H9	0.000	3.142
H10	2.143	1.909
H11	-2.143	1.909
H12	0.000	-1.787

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3857	1.3857	2.3853	2.3853	2.7754	3.9828	3.9828	1.0780	2.1486	2.1486	3.8510
C2	1.3857		2.4107	1.3841	2.7659	2.4141	2.6994	4.4987	2.1345	1.0764	3.3898	3.3889
C3	1.3857	2.4107		2.7659	1.3841	2.4141	4.4987	2.6994	2.1345	3.3898	1.0764	3.3889
C4	2.3853	1.3841	2.7659		2.3787	1.3840	1.7328	3.9727	3.3630	2.1373	3.8423	2.1436
C5	2.3853	2.7659	1.3841	2.3787		1.3840	3.9727	1.7328	3.3630	3.8423	2.1373	2.1436
C6	2.7754	2.4141	2.4141	1.3840	1.3840		2.6914	2.6914	3.8533	3.3851	3.3851	1.0756
Cl7	3.9828	2.6994	4.4987	1.7328	3.9727	2.6914		5.3726	4.8337	2.8382	5.5751	2.8364
Cl8	3.9828	4.4987	2.6994	3.9727	1.7328	2.6914	5.3726		4.8337	5.5751	2.8382	2.8364
H9	1.0780	2.1345	2.1345	3.3630	3.3630	3.8533	4.8337	4.8337		2.4723	2.4723	4.9289
H10	2.1486	1.0764	3.3898	2.1373	3.8423	3.3851	2.8382	5.5751	2.4723		4.2859	4.2724
H11	2.1486	3.3898	1.0764	3.8423	2.1373	3.3851	5.5751	2.8382	2.4723	4.2859		4.2724
H12	3.8510	3.3889	3.3889	2.1436	2.1436	1.0756	2.8364	2.8364	4.9289	4.2724	4.2724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.899	C1	C2	H10	121.017
C1	C3	C5	118.899	C1	C3	H11	121.017
C2	C1	C3	120.878	C2	C1	H9	119.561
C2	C4	C6	121.416	C2	C4	Cl7	119.585
C3	C1	H9	119.561	C3	C5	C6	121.416
C3	C5	Cl8	119.585	C4	C2	H10	120.084
C4	C6	C5	118.492	C4	C6	H12	120.754
C5	C3	H11	120.084	C5	C6	H12	120.754
C6	C4	Cl7	118.999	C6	C5	Cl8	118.999

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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