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	hartrees
Energy at 0K	-1145.289891
Energy at 298.15K	-1145.294031
HF Energy	-1145.289891
Nuclear repulsion energy	466.009299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	3018	2.93
2	A₁	3148	3002	4.31
3	A₁	1552	1480	1.54
4	A₁	1460	1393	64.79
5	A₁	1306	1245	0.27
6	A₁	1196	1141	0.17
7	A₁	1122	1070	46.52
8	A₁	1037	989	8.64
9	A₁	669	638	13.98
10	A₁	473	451	8.94
11	A₁	198	188	0.02
12	A₂	981	935	0.00
13	A₂	854	815	0.00
14	A₂	721	688	0.00
15	A₂	519	495	0.00
16	A₂	137	131	0.00
17	B₁	939	895	3.05
18	B₁	747	712	81.55
19	B₁	441	420	7.91
20	B₁	231	221	2.10
21	B₂	3159	3012	1.25
22	B₂	3136	2990	0.98
23	B₂	1561	1488	5.45
24	B₂	1442	1375	20.22
25	B₂	1273	1214	5.79
26	B₂	1137	1084	2.17
27	B₂	1045	996	33.15
28	B₂	742	708	21.65
29	B₂	429	409	0.60
30	B₂	335	320	0.54

Atom	y (Å)	z (Å)
C1	0.704	-0.027
C2	-0.704	-0.027
C3	1.404	1.191
C4	-1.404	1.191
C5	0.702	2.405
C6	-0.702	2.405
Cl7	1.604	-1.526
Cl8	-1.604	-1.526
H9	2.495	1.171
H10	-2.495	1.171
H11	1.255	3.347
H12	-1.255	3.347

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4086	1.4044	2.4344	2.4318	2.8094	1.7482	2.7520	2.1544	3.4161	3.4183	3.9014
C2	1.4086		2.4344	1.4044	2.8094	2.4318	2.7520	1.7482	3.4161	2.1544	3.9014	3.4183
C3	1.4044	2.4344		2.8072	1.4019	2.4308	2.7244	4.0528	1.0914	3.8984	2.1608	3.4229
C4	2.4344	1.4044	2.8072		2.4308	1.4019	4.0528	2.7244	3.8984	1.0914	3.4229	2.1608
C5	2.4318	2.8094	1.4019	2.4308		1.4048	4.0329	4.5574	2.1760	3.4270	1.0920	2.1724
C6	2.8094	2.4318	2.4308	1.4019	1.4048		4.5574	4.0329	3.4270	2.1760	2.1724	1.0920
Cl7	1.7482	2.7520	2.7244	4.0528	4.0329	4.5574		3.2070	2.8407	4.9063	4.8852	5.6494
Cl8	2.7520	1.7482	4.0528	2.7244	4.5574	4.0329	3.2070		4.9063	2.8407	5.6494	4.8852
H9	2.1544	3.4161	1.0914	3.8984	2.1760	3.4270	2.8407	4.9063		4.9896	2.5039	4.3354
H10	3.4161	2.1544	3.8984	1.0914	3.4270	2.1760	4.9063	2.8407	4.9896		4.3354	2.5039
H11	3.4183	3.9014	2.1608	3.4229	1.0920	2.1724	4.8852	5.6494	2.5039	4.3354		2.5104
H12	3.9014	3.4183	3.4229	2.1608	2.1724	1.0920	5.6494	4.8852	4.3354	2.5039	2.5104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.864	C1	C2	Cl8	120.956
C1	C3	C5	120.124	C1	C3	H9	118.823
C2	C1	C3	119.864	C2	C1	Cl7	120.956
C2	C4	C6	120.124	C2	C4	H10	118.823
C3	C1	Cl7	119.180	C3	C5	C6	120.012
C3	C5	H11	119.577	C4	C2	Cl8	119.180
C4	C6	C5	120.012	C4	C6	H12	119.577
C5	C3	H9	121.053	C5	C6	H12	120.411
C6	C4	H10	121.053	C6	C5	H11	120.411

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

using model chemistry: PBEPBE/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	-0.177
2	C	-0.177
3	C	-0.168
4	C	-0.168
5	C	-0.192
6	C	-0.192
7	Cl	0.094
8	Cl	0.094
9	H	0.230
10	H	0.230
11	H	0.213
12	H	0.213

<r²>	365.123
(<r²>)^1/2	19.108

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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