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	hartrees
Energy at 0K	-1138.577272
Energy at 298.15K	-1138.580998
HF Energy	-1138.577272
Nuclear repulsion energy	459.225241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3484	3109	10.89
2	A₁	3469	3096	5.30
3	A₁	1698	1515	0.60
4	A₁	1573	1404	65.88
5	A₁	1312	1171	0.00
6	A₁	1243	1110	10.50
7	A₁	1227	1095	21.34
8	A₁	1101	983	0.14
9	A₁	696	621	11.10
10	A₁	491	439	5.81
11	A₁	182	163	0.23
12	A₂	1048	935	0.00
13	A₂	915	816	0.00
14	A₂	724	646	0.00
15	A₂	520	464	0.00
16	A₂	141	126	0.00
17	B₁	1009	900	1.85
18	B₁	798	712	35.93
19	B₁	449	401	0.65
20	B₁	234	209	0.17
21	B₂	3476	3102	36.78
22	B₂	3458	3086	0.68
23	B₂	1706	1523	4.23
24	B₂	1547	1380	26.74
25	B₂	1330	1187	3.39
26	B₂	1207	1077	7.04
27	B₂	1101	983	26.96
28	B₂	791	706	11.36
29	B₂	428	382	1.72
30	B₂	329	293	0.16

Atom	y (Å)	z (Å)
C1	0.710	-0.009
C2	-0.710	-0.009
C3	1.416	1.216
C4	-1.416	1.216
C5	0.705	2.432
C6	-0.705	2.432
Cl7	1.636	-1.554
Cl8	-1.636	-1.554
H9	2.515	1.202
H10	-2.515	1.202
H11	1.258	3.381
H12	-1.258	3.381

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4202	1.4134	2.4537	2.4401	2.8208	1.8012	2.8089	2.1730	3.4445	3.4334	3.9192
C2	1.4202		2.4537	1.4134	2.8208	2.4401	2.8089	1.8012	3.4445	2.1730	3.9192	3.4334
C3	1.4134	2.4537		2.8326	1.4086	2.4450	2.7782	4.1212	1.0984	3.9309	2.1709	3.4405
C4	2.4537	1.4134	2.8326		2.4450	1.4086	4.1212	2.7782	3.9309	1.0984	3.4405	2.1709
C5	2.4401	2.8208	1.4086	2.4450		1.4100	4.0925	4.6218	2.1877	3.4463	1.0984	2.1801
C6	2.8208	2.4401	2.4450	1.4086	1.4100		4.6218	4.0925	3.4463	2.1877	2.1801	1.0984
Cl7	1.8012	2.8089	2.7782	4.1212	4.0925	4.6218		3.2713	2.8927	4.9819	4.9491	5.7202
Cl8	2.8089	1.8012	4.1212	2.7782	4.6218	4.0925	3.2713		4.9819	2.8927	5.7202	4.9491
H9	2.1730	3.4445	1.0984	3.9309	2.1877	3.4463	2.8927	4.9819		5.0292	2.5153	4.3561
H10	3.4445	2.1730	3.9309	1.0984	3.4463	2.1877	4.9819	2.8927	5.0292		4.3561	2.5153
H11	3.4334	3.9192	2.1709	3.4405	1.0984	2.1801	4.9491	5.7202	2.5153	4.3561		2.5150
H12	3.9192	3.4334	3.4405	2.1709	2.1801	1.0984	5.7202	4.9491	4.3561	2.5153	2.5150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.975	C1	C2	Cl8	120.920
C1	C3	C5	119.694	C1	C3	H9	119.267
C2	C1	C3	119.975	C2	C1	Cl7	120.920
C2	C4	C6	119.694	C2	C4	H10	119.267
C3	C1	Cl7	119.104	C3	C5	C6	120.330
C3	C5	H11	119.470	C4	C2	Cl8	119.104
C4	C6	C5	120.330	C4	C6	H12	119.470
C5	C3	H9	121.039	C5	C6	H12	120.199
C6	C4	H10	121.039	C6	C5	H11	120.199

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)

using model chemistry: B3LYP/STO-3G

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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Number	Element	Mulliken
1	C	0.029
2	C	0.029
3	C	-0.066
4	C	-0.066
5	C	-0.069
6	C	-0.069
7	Cl	-0.093
8	Cl	-0.093
9	H	0.105
10	H	0.105
11	H	0.095
12	H	0.095

<r²>	373.626
(<r²>)^1/2	19.329

All results from a given calculation for C6H4Cl2 (1,2-dichlorobenzene)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)