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	hartrees
Energy at 0K	-1148.589033
Energy at 298.15K	-1148.593670
HF Energy	-1148.589033
Nuclear repulsion energy	454.758977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3399	3074	0.00
2	A₁	3389	3065	8.14
3	A₁	3357	3036	8.16
4	A₁	1766	1597	27.73
5	A₁	1563	1414	17.36
6	A₁	1231	1113	27.12
7	A₁	1177	1065	14.96
8	A₁	1084	980	4.03
9	A₁	726	656	2.48
10	A₁	430	389	3.44
11	A₁	212	192	0.30
12	A₂	1018	921	0.00
13	A₂	596	539	0.00
14	A₂	225	203	0.00
15	B₁	1102	997	0.15
16	B₁	995	900	13.84
17	B₁	876	792	49.02
18	B₁	749	677	26.07
19	B₁	486	440	6.36
20	B₁	184	167	0.14
21	B₂	3383	3060	4.04
22	B₂	1772	1603	83.19
23	B₂	1630	1475	71.12
24	B₂	1433	1296	1.95
25	B₂	1305	1181	0.09
26	B₂	1204	1089	20.67
27	B₂	1177	1065	12.07
28	B₂	849	768	94.18
29	B₂	465	421	4.02
30	B₂	398	360	0.85

Atom	y (Å)	z (Å)
C1	0.000	2.063
C2	1.203	1.380
C3	-1.203	1.380
C4	1.186	-0.001
C5	-1.186	-0.001
C6	0.000	-0.709
Cl7	2.692	-0.878
Cl8	-2.692	-0.878
H9	0.000	3.138
H10	2.137	1.908
H11	-2.137	1.908
H12	0.000	-1.780

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3838	1.3838	2.3810	2.3810	2.7719	3.9868	3.9868	1.0745	2.1430	2.1430	3.8435
C2	1.3838		2.4067	1.3812	2.7602	2.4105	2.7042	4.5021	2.1302	1.0728	3.3821	3.3816
C3	1.3838	2.4067		2.7602	1.3812	2.4105	4.5021	2.7042	2.1302	3.3821	1.0728	3.3816
C4	2.3810	1.3812	2.7602		2.3730	1.3815	1.7419	3.9760	3.3556	2.1325	3.8329	2.1385
C5	2.3810	2.7602	1.3812	2.3730		1.3815	3.9760	1.7419	3.3556	3.8329	2.1325	2.1385
C6	2.7719	2.4105	2.4105	1.3815	1.3815		2.6970	2.6970	3.8464	3.3784	3.3784	1.0716
Cl7	3.9868	2.7042	4.5021	1.7419	3.9760	2.6970		5.3833	4.8342	2.8402	5.5748	2.8389
Cl8	3.9868	4.5021	2.7042	3.9760	1.7419	2.6970	5.3833		4.8342	5.5748	2.8402	2.8389
H9	1.0745	2.1302	2.1302	3.3556	3.3556	3.8464	4.8342	4.8342		2.4660	2.4660	4.9180
H10	2.1430	1.0728	3.3821	2.1325	3.8329	3.3784	2.8402	5.5748	2.4660		4.2746	4.2626
H11	2.1430	3.3821	1.0728	3.8329	2.1325	3.3784	5.5748	2.8402	2.4660	4.2746		4.2626
H12	3.8435	3.3816	3.3816	2.1385	2.1385	1.0716	2.8389	2.8389	4.9180	4.2626	4.2626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.887	C1	C2	H10	120.946
C1	C3	C5	118.887	C1	C3	H11	120.946
C2	C1	C3	120.827	C2	C1	H9	119.587
C2	C4	C6	121.512	C2	C4	Cl7	119.520
C3	C1	H9	119.587	C3	C5	C6	121.512
C3	C5	Cl8	119.520	C4	C2	H10	120.168
C4	C6	C5	118.377	C4	C6	H12	120.812
C5	C3	H11	120.168	C5	C6	H12	120.812
C6	C4	Cl7	118.969	C6	C5	Cl8	118.969

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.201
2	C	-0.146
3	C	-0.146
4	C	-0.145
5	C	-0.145
6	C	-0.069
7	Cl	-0.091
8	Cl	-0.091
9	H	0.238
10	H	0.257
11	H	0.257
12	H	0.283

<r²>	425.609
(<r²>)^1/2	20.630

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

using model chemistry: HF/6-311G*

States and conformations

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