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	hartrees
Energy at 0K	-1143.904047
Energy at 298.15K	-1143.908216
HF Energy	-1143.056262
Nuclear repulsion energy	448.190208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3195	3071	1.67
2	A₁	3191	3067	1.75
3	A₁	3163	3040	3.12
4	A₁	1588	1526	23.12
5	A₁	1445	1389	9.17
6	A₁	1152	1107	16.73
7	A₁	1102	1059	11.57
8	A₁	1028	988	0.45
9	A₁	693	666	1.45
10	A₁	397	382	2.96
11	A₁	197	189	0.57
12	A₂	902	867	0.00
13	A₂	538	517	0.00
14	A₂	207	199	0.00
15	B₁	947	910	0.02
16	B₁	875	841	12.28
17	B₁	785	755	63.29
18	B₁	667	641	12.73
19	B₁	443	426	4.80
20	B₁	170	164	0.08
21	B₂	3184	3060	0.71
22	B₂	1593	1531	58.57
23	B₂	1513	1454	37.07
24	B₂	1358	1305	1.80
25	B₂	1246	1198	0.41
26	B₂	1172	1127	0.07
27	B₂	1110	1067	18.96
28	B₂	794	763	58.74
29	B₂	437	420	4.46
30	B₂	369	354	0.31

Atom	y (Å)	z (Å)
C1	0.000	2.097
C2	1.222	1.400
C3	-1.222	1.400
C4	1.205	-0.002
C5	-1.205	-0.002
C6	0.000	-0.719
Cl7	2.729	-0.891
Cl8	-2.729	-0.891
H9	0.000	3.186
H10	2.171	1.933
H11	-2.171	1.933
H12	0.000	-1.806

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4066	1.4066	2.4205	2.4205	2.8160	4.0472	4.0472	1.0890	2.1770	2.1770	3.9035
C2	1.4066		2.4438	1.4025	2.8031	2.4463	2.7429	4.5677	2.1638	1.0880	3.4342	3.4317
C3	1.4066	2.4438		2.8031	1.4025	2.4463	4.5677	2.7429	2.1638	3.4342	1.0880	3.4317
C4	2.4205	1.4025	2.8031		2.4104	1.4023	1.7646	4.0338	3.4083	2.1623	3.8911	2.1699
C5	2.4205	2.8031	1.4025	2.4104		1.4023	4.0338	1.7646	3.4083	3.8911	2.1623	2.1699
C6	2.8160	2.4463	2.4463	1.4023	1.4023		2.7348	2.7348	3.9050	3.4268	3.4268	1.0875
Cl7	4.0472	2.7429	4.5677	1.7646	4.0338	2.7348		5.4588	4.9065	2.8786	5.6556	2.8788
Cl8	4.0472	4.5677	2.7429	4.0338	1.7646	2.7348	5.4588		4.9065	5.6556	2.8786	2.8788
H9	1.0890	2.1638	2.1638	3.4083	3.4083	3.9050	4.9065	4.9065		2.5067	2.5067	4.9925
H10	2.1770	1.0880	3.4342	2.1623	3.8911	3.4268	2.8786	5.6556	2.5067		4.3416	4.3236
H11	2.1770	3.4342	1.0880	3.8911	2.1623	3.4268	5.6556	2.8786	2.5067	4.3416		4.3236
H12	3.9035	3.4317	3.4317	2.1699	2.1699	1.0875	2.8788	2.8788	4.9925	4.3236	4.3236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.010	C1	C2	H10	121.014
C1	C3	C5	119.010	C1	C3	H11	121.014
C2	C1	C3	120.613	C2	C1	H9	119.694
C2	C4	C6	121.429	C2	C4	Cl7	119.574
C3	C1	H9	119.694	C3	C5	C6	121.429
C3	C5	Cl8	119.574	C4	C2	H10	119.976
C4	C6	C5	118.509	C4	C6	H12	120.745
C5	C3	H11	119.976	C5	C6	H12	120.745
C6	C4	Cl7	118.997	C6	C5	Cl8	118.997

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

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

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