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	hartrees
Energy at 0K	-1151.039676
Energy at 298.15K	-1151.043991
HF Energy	-1151.039676
Nuclear repulsion energy	471.709704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3102	3.07
2	A₁	3212	3087	5.27
3	A₁	1634	1571	3.93
4	A₁	1503	1444	67.57
5	A₁	1342	1290	1.39
6	A₁	1184	1138	4.32
7	A₁	1163	1118	42.38
8	A₁	1069	1028	7.94
9	A₁	678	651	15.12
10	A₁	490	471	6.13
11	A₁	201	193	0.01
12	A₂	1006	967	0.00
13	A₂	884	850	0.00
14	A₂	731	702	0.00
15	A₂	532	511	0.00
16	A₂	139	133	0.00
17	B₁	973	935	1.94
18	B₁	771	741	63.82
19	B₁	453	435	4.85
20	B₁	238	229	1.06
21	B₂	3223	3098	2.01
22	B₂	3199	3075	1.00
23	B₂	1643	1579	7.28
24	B₂	1473	1415	19.48
25	B₂	1281	1231	3.49
26	B₂	1158	1113	1.22
27	B₂	1056	1015	34.91
28	B₂	760	730	18.12
29	B₂	436	419	0.56
30	B₂	340	327	0.19

Atom	y (Å)	z (Å)
C1	0.696	-0.030
C2	-0.696	-0.030
C3	1.385	1.175
C4	-1.385	1.175
C5	0.693	2.374
C6	-0.693	2.374
Cl7	1.589	-1.505
Cl8	-1.589	-1.505
H9	2.467	1.156
H10	-2.467	1.156
H11	1.242	3.307
H12	-1.242	3.307

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3925	1.3878	2.4049	2.4033	2.7761	1.7243	2.7201	2.1308	3.3778	3.3807	3.8584
C2	1.3925		2.4049	1.3878	2.7761	2.4033	2.7201	1.7243	3.3778	2.1308	3.8584	3.3807
C3	1.3878	2.4049		2.7703	1.3838	2.3993	2.6876	4.0036	1.0816	3.8517	2.1364	3.3829
C4	2.4049	1.3878	2.7703		2.3993	1.3838	4.0036	2.6876	3.8517	1.0816	3.3829	2.1364
C5	2.4033	2.7761	1.3838	2.3993		1.3869	3.9805	4.5003	2.1508	3.3864	1.0823	2.1484
C6	2.7761	2.4033	2.3993	1.3838	1.3869		4.5003	3.9805	3.3864	2.1508	2.1484	1.0823
Cl7	1.7243	2.7201	2.6876	4.0036	3.9805	4.5003		3.1785	2.8018	4.8508	4.8240	5.5825
Cl8	2.7201	1.7243	4.0036	2.6876	4.5003	3.9805	3.1785		4.8508	2.8018	5.5825	4.8240
H9	2.1308	3.3778	1.0816	3.8517	2.1508	3.3864	2.8018	4.8508		4.9331	2.4748	4.2867
H10	3.3778	2.1308	3.8517	1.0816	3.3864	2.1508	4.8508	2.8018	4.9331		4.2867	2.4748
H11	3.3807	3.8584	2.1364	3.3829	1.0823	2.1484	4.8240	5.5825	2.4748	4.2867		2.4834
H12	3.8584	3.3807	3.3829	2.1364	2.1484	1.0823	5.5825	4.8240	4.2867	2.4748	2.4834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.761	C1	C2	Cl8	121.191
C1	C3	C5	120.248	C1	C3	H9	118.760
C2	C1	C3	119.761	C2	C1	Cl7	121.191
C2	C4	C6	120.248	C2	C4	H10	118.760
C3	C1	Cl7	119.048	C3	C5	C6	119.991
C3	C5	H11	119.573	C4	C2	Cl8	119.048
C4	C6	C5	119.991	C4	C6	H12	119.573
C5	C3	H9	120.991	C5	C6	H12	120.437
C6	C4	H10	120.991	C6	C5	H11	120.437

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.042
2	C	0.042
3	C	-0.098
4	C	-0.098
5	C	-0.111
6	C	-0.111
7	Cl	-0.088
8	Cl	-0.088
9	H	0.131
10	H	0.131
11	H	0.125
12	H	0.125

<r²>	357.380
(<r²>)^1/2	18.905

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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