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	hartrees
Energy at 0K	-1150.902097
Energy at 298.15K	-1150.906154
HF Energy	-1150.535010
Nuclear repulsion energy	451.521686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	3104	0.63
2	A₁	3259	3099	2.14
3	A₁	3233	3074	4.62
4	A₁	1631	1552	25.48
5	A₁	1454	1383	12.18
6	A₁	1150	1093	19.79
7	A₁	1105	1051	19.95
8	A₁	1014	964	4.09
9	A₁	678	645	1.97
10	A₁	403	384	3.03
11	A₁	199	189	0.32
12	A₂	892	848	0.00
13	A₂	503	478	0.00
14	A₂	199	190	0.00
15	B₁	958	911	0.03
16	B₁	858	816	8.28
17	B₁	771	733	69.16
18	B₁	557	530	0.91
19	B₁	426	406	4.99
20	B₁	165	157	0.21
21	B₂	3254	3095	0.84
22	B₂	1634	1554	83.99
23	B₂	1509	1435	66.54
24	B₂	1371	1303	0.22
25	B₂	1310	1246	2.36
26	B₂	1202	1143	0.54
27	B₂	1116	1061	25.10
28	B₂	798	759	84.60
29	B₂	434	413	4.23
30	B₂	371	353	0.45

Atom	y (Å)	z (Å)
C1	0.000	2.079
C2	1.215	1.392
C3	-1.215	1.392
C4	1.198	-0.003
C5	-1.198	-0.003
C6	0.000	-0.718
Cl7	2.707	-0.884
Cl8	-2.707	-0.884
H9	0.000	3.162
H10	2.157	1.924
H11	-2.157	1.924
H12	0.000	-1.799

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3959	1.3959	2.4021	2.4021	2.7972	4.0135	4.0135	1.0832	2.1624	2.1624	3.8784
C2	1.3959		2.4298	1.3948	2.7866	2.4345	2.7211	4.5343	2.1474	1.0818	3.4134	3.4143
C3	1.3959	2.4298		2.7866	1.3948	2.4345	4.5343	2.7211	2.1474	3.4134	1.0818	3.4143
C4	2.4021	1.3948	2.7866		2.3952	1.3948	1.7477	4.0029	3.3844	2.1523	3.8684	2.1588
C5	2.4021	2.7866	1.3948	2.3952		1.3948	4.0029	1.7477	3.3844	3.8684	2.1523	2.1588
C6	2.7972	2.4345	2.4345	1.3948	1.3948		2.7123	2.7123	3.8804	3.4103	3.4103	1.0812
Cl7	4.0135	2.7211	4.5343	1.7477	4.0029	2.7123		5.4144	4.8682	2.8609	5.6160	2.8578
Cl8	4.0135	4.5343	2.7211	4.0029	1.7477	2.7123	5.4144		4.8682	5.6160	2.8609	2.8578
H9	1.0832	2.1474	2.1474	3.3844	3.3844	3.8804	4.8682	4.8682		2.4872	2.4872	4.9616
H10	2.1624	1.0818	3.4134	2.1523	3.8684	3.4103	2.8609	5.6160	2.4872		4.3135	4.3025
H11	2.1624	3.4134	1.0818	3.8684	2.1523	3.4103	5.6160	2.8609	2.4872	4.3135		4.3025
H12	3.8784	3.4143	3.4143	2.1588	2.1588	1.0812	2.8578	2.8578	4.9616	4.3025	4.3025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.796	C1	C2	H10	121.033
C1	C3	C5	118.796	C1	C3	H11	121.033
C2	C1	C3	120.988	C2	C1	H9	119.506
C2	C4	C6	121.548	C2	C4	Cl7	119.549
C3	C1	H9	119.506	C3	C5	C6	121.548
C3	C5	Cl8	119.549	C4	C2	H10	120.171
C4	C6	C5	118.325	C4	C6	H12	120.838
C5	C3	H11	120.171	C5	C6	H12	120.838
C6	C4	Cl7	118.903	C6	C5	Cl8	118.903

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31+G**

States and conformations

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