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	hartrees
Energy at 0K	-1143.056852
Energy at 298.15K	-1143.061682
HF Energy	-1143.056852
Nuclear repulsion energy	471.405965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3403	3072	4.45
2	A₁	3384	3055	5.71
3	A₁	1737	1567	0.85
4	A₁	1641	1481	61.36
5	A₁	1344	1213	0.12
6	A₁	1249	1128	18.32
7	A₁	1234	1114	13.74
8	A₁	1133	1023	6.56
9	A₁	747	674	14.05
10	A₁	516	465	9.36
11	A₁	221	200	0.00
12	A₂	1193	1077	0.00
13	A₂	1042	940	0.00
14	A₂	859	775	0.00
15	A₂	602	543	0.00
16	A₂	158	142	0.00
17	B₁	1144	1033	4.29
18	B₁	888	802	95.71
19	B₁	516	466	9.50
20	B₁	269	243	1.74
21	B₂	3397	3066	1.76
22	B₂	3370	3042	1.39
23	B₂	1755	1584	3.41
24	B₂	1609	1452	22.50
25	B₂	1422	1284	6.02
26	B₂	1252	1130	5.44
27	B₂	1176	1062	30.77
28	B₂	822	742	19.92
29	B₂	471	425	0.87
30	B₂	372	336	0.47

Atom	y (Å)	z (Å)
C1	0.691	-0.024
C2	-0.691	-0.024
C3	1.380	1.176
C4	-1.380	1.176
C5	0.692	2.372
C6	-0.692	2.372
Cl7	1.601	-1.506
Cl8	-1.601	-1.506
H9	2.449	1.159
H10	-2.449	1.159
H11	1.234	3.296
H12	-1.234	3.296

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3822	1.3832	2.3931	2.3965	2.7669	1.7387	2.7292	2.1194	3.3560	3.3642	3.8379
C2	1.3822		2.3931	1.3832	2.7669	2.3965	2.7292	1.7387	3.3560	2.1194	3.8379	3.3642
C3	1.3832	2.3931		2.7591	1.3803	2.3923	2.6906	4.0091	1.0700	3.8290	2.1253	3.3656
C4	2.3931	1.3832	2.7591		2.3923	1.3803	4.0091	2.6906	3.8290	1.0700	3.3656	2.1253
C5	2.3965	2.7669	1.3803	2.3923		1.3838	3.9834	4.5053	2.1357	3.3676	1.0709	2.1360
C6	2.7669	2.3965	2.3923	1.3803	1.3838		4.5053	3.9834	3.3676	2.1357	2.1360	1.0709
Cl7	1.7387	2.7292	2.6906	4.0091	3.9834	4.5053		3.2016	2.7968	4.8483	4.8158	5.5762
Cl8	2.7292	1.7387	4.0091	2.6906	4.5053	3.9834	3.2016		4.8483	2.7968	5.5762	4.8158
H9	2.1194	3.3560	1.0700	3.8290	2.1357	3.3676	2.7968	4.8483		4.8989	2.4583	4.2585
H10	3.3560	2.1194	3.8290	1.0700	3.3676	2.1357	4.8483	2.7968	4.8989		4.2585	2.4583
H11	3.3642	3.8379	2.1253	3.3656	1.0709	2.1360	4.8158	5.5762	2.4583	4.2585		2.4682
H12	3.8379	3.3642	3.3656	2.1253	2.1360	1.0709	5.5762	4.8158	4.2585	2.4583	2.4682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.849	C1	C2	Cl8	121.546
C1	C3	C5	120.271	C1	C3	H9	118.962
C2	C1	C3	119.849	C2	C1	Cl7	121.546
C2	C4	C6	120.271	C2	C4	H10	118.962
C3	C1	Cl7	118.605	C3	C5	C6	119.880
C3	C5	H11	119.704	C4	C2	Cl8	118.605
C4	C6	C5	119.880	C4	C6	H12	119.704
C5	C3	H9	120.767	C5	C6	H12	120.417
C6	C4	H10	120.767	C6	C5	H11	120.417

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.188
2	C	-0.188
3	C	-0.198
4	C	-0.198
5	C	-0.233
6	C	-0.233
7	Cl	0.081
8	Cl	0.081
9	H	0.279
10	H	0.279
11	H	0.260
12	H	0.260

<r²>	358.788
(<r²>)^1/2	18.942

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

using model chemistry: HF/3-21G*

States and conformations

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