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	hartrees
Energy at 0K	-1148.636841
Energy at 298.15K	-1148.641522
HF Energy	-1148.636841
Nuclear repulsion energy	472.511848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3367	3052	5.06
2	A₁	3348	3035	9.21
3	A₁	1748	1585	3.65
4	A₁	1623	1471	68.61
5	A₁	1305	1183	1.06
6	A₁	1241	1125	42.15
7	A₁	1170	1061	0.65
8	A₁	1126	1020	8.78
9	A₁	721	654	15.63
10	A₁	516	468	7.33
11	A₁	218	197	0.00
12	A₂	1117	1012	0.00
13	A₂	982	890	0.00
14	A₂	794	720	0.00
15	A₂	574	520	0.00
16	A₂	151	137	0.00
17	B₁	1085	984	2.04
18	B₁	850	771	75.16
19	B₁	495	449	5.47
20	B₁	259	234	1.07
21	B₂	3363	3048	4.90
22	B₂	3332	3021	1.48
23	B₂	1764	1599	6.66
24	B₂	1585	1436	21.35
25	B₂	1383	1253	4.98
26	B₂	1234	1119	3.24
27	B₂	1131	1025	35.12
28	B₂	805	729	18.93
29	B₂	462	419	1.02
30	B₂	364	330	0.23

Atom	y (Å)	z (Å)
C1	0.691	-0.028
C2	-0.691	-0.028
C3	1.378	1.170
C4	-1.378	1.170
C5	0.691	2.364
C6	-0.691	2.364
Cl7	1.598	-1.499
Cl8	-1.598	-1.499
H9	2.449	1.155
H10	-2.449	1.155
H11	1.234	3.288
H12	-1.234	3.288

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3811	1.3819	2.3907	2.3923	2.7624	1.7278	2.7202	2.1194	3.3549	3.3609	3.8345
C2	1.3811		2.3907	1.3819	2.7624	2.3923	2.7202	1.7278	3.3549	2.1194	3.8345	3.3609
C3	1.3819	2.3907		2.7555	1.3771	2.3880	2.6783	3.9975	1.0710	3.8264	2.1228	3.3623
C4	2.3907	1.3819	2.7555		2.3880	1.3771	3.9975	2.6783	3.8264	1.0710	3.3623	2.1228
C5	2.3923	2.7624	1.3771	2.3880		1.3813	3.9678	4.4898	2.1334	3.3639	1.0722	2.1349
C6	2.7624	2.3923	2.3880	1.3771	1.3813		4.4898	3.9678	3.3639	2.1334	2.1349	1.0722
Cl7	1.7278	2.7202	2.6783	3.9975	3.9678	4.4898		3.1960	2.7870	4.8393	4.8010	5.5619
Cl8	2.7202	1.7278	3.9975	2.6783	4.4898	3.9678	3.1960		4.8393	2.7870	5.5619	4.8010
H9	2.1194	3.3549	1.0710	3.8264	2.1334	3.3639	2.7870	4.8393		4.8973	2.4549	4.2556
H10	3.3549	2.1194	3.8264	1.0710	3.3639	2.1334	4.8393	2.7870	4.8973		4.2556	2.4549
H11	3.3609	3.8345	2.1228	3.3623	1.0722	2.1349	4.8010	5.5619	2.4549	4.2556		2.4674
H12	3.8345	3.3609	3.3623	2.1228	2.1349	1.0722	5.5619	4.8010	4.2556	2.4549	2.4674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.822	C1	C2	Cl8	121.682
C1	C3	C5	120.246	C1	C3	H9	119.004
C2	C1	C3	119.822	C2	C1	Cl7	121.682
C2	C4	C6	120.246	C2	C4	H10	119.004
C3	C1	Cl7	118.497	C3	C5	C6	119.933
C3	C5	H11	119.636	C4	C2	Cl8	118.497
C4	C6	C5	119.933	C4	C6	H12	119.636
C5	C3	H9	120.750	C5	C6	H12	120.431
C6	C4	H10	120.750	C6	C5	H11	120.431

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

using model chemistry: HF/Def2TZVPP

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	0.068
2	C	0.068
3	C	-0.095
4	C	-0.095
5	C	-0.094
6	C	-0.094
7	Cl	-0.080
8	Cl	-0.080
9	H	0.100
10	H	0.100
11	H	0.101
12	H	0.101

<r²>	357.106
(<r²>)^1/2	18.897

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

using model chemistry: HF/Def2TZVPP

States and conformations

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