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	hartrees
Energy at 0K	-1148.609500
Energy at 298.15K	-1148.614134
HF Energy	-1148.609500
Nuclear repulsion energy	471.064830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3373	3065	4.33
2	A₁	3355	3048	8.28
3	A₁	1748	1589	4.16
4	A₁	1623	1475	69.44
5	A₁	1307	1188	0.77
6	A₁	1241	1127	41.81
7	A₁	1174	1067	1.17
8	A₁	1126	1023	9.95
9	A₁	723	657	17.11
10	A₁	514	467	8.23
11	A₁	217	197	0.00
12	A₂	1082	983	0.00
13	A₂	967	879	0.00
14	A₂	717	652	0.00
15	A₂	558	507	0.00
16	A₂	149	136	0.00
17	B₁	1074	976	1.38
18	B₁	847	770	75.24
19	B₁	490	445	6.93
20	B₁	256	233	1.35
21	B₂	3369	3061	3.46
22	B₂	3340	3035	1.59
23	B₂	1763	1602	7.85
24	B₂	1585	1440	22.49
25	B₂	1385	1258	4.37
26	B₂	1236	1123	3.55
27	B₂	1134	1030	40.30
28	B₂	806	732	20.01
29	B₂	460	418	0.94
30	B₂	364	331	0.28

Atom	y (Å)	z (Å)
C1	0.691	-0.024
C2	-0.691	-0.024
C3	1.379	1.175
C4	-1.379	1.175
C5	0.691	2.370
C6	-0.691	2.370
Cl7	1.608	-1.505
Cl8	-1.608	-1.505
H9	2.451	1.161
H10	-2.451	1.161
H11	1.235	3.296
H12	-1.235	3.296

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3819	1.3830	2.3925	2.3941	2.7644	1.7417	2.7345	2.1221	3.3583	3.3640	3.8379
C2	1.3819		2.3925	1.3830	2.7644	2.3941	2.7345	1.7417	3.3583	2.1221	3.8379	3.3640
C3	1.3830	2.3925		2.7583	1.3784	2.3903	2.6901	4.0134	1.0723	3.8305	2.1250	3.3657
C4	2.3925	1.3830	2.7583		2.3903	1.3784	4.0134	2.6901	3.8305	1.0723	3.3657	2.1250
C5	2.3941	2.7644	1.3784	2.3903		1.3825	3.9818	4.5056	2.1353	3.3672	1.0735	2.1371
C6	2.7644	2.3941	2.3903	1.3784	1.3825		4.5056	3.9818	3.3672	2.1353	2.1371	1.0735
Cl7	1.7417	2.7345	2.6901	4.0134	3.9818	4.5056		3.2159	2.7960	4.8564	4.8150	5.5791
Cl8	2.7345	1.7417	4.0134	2.6901	4.5056	3.9818	3.2159		4.8564	2.7960	5.5791	4.8150
H9	2.1221	3.3583	1.0723	3.8305	2.1353	3.3672	2.7960	4.8564		4.9027	2.4570	4.2598
H10	3.3583	2.1221	3.8305	1.0723	3.3672	2.1353	4.8564	2.7960	4.9027		4.2598	2.4570
H11	3.3640	3.8379	2.1250	3.3657	1.0735	2.1371	4.8150	5.5791	2.4570	4.2598		2.4698
H12	3.8379	3.3640	3.3657	2.1250	2.1371	1.0735	5.5791	4.8150	4.2598	2.4570	2.4698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.843	C1	C2	Cl8	121.770
C1	C3	C5	120.219	C1	C3	H9	119.063
C2	C1	C3	119.843	C2	C1	Cl7	121.770
C2	C4	C6	120.219	C2	C4	H10	119.063
C3	C1	Cl7	118.387	C3	C5	C6	119.937
C3	C5	H11	119.636	C4	C2	Cl8	118.387
C4	C6	C5	119.937	C4	C6	H12	119.636
C5	C3	H9	120.718	C5	C6	H12	120.427
C6	C4	H10	120.718	C6	C5	H11	120.427

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

using model chemistry: HF/TZVP

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	0.025
2	C	0.025
3	C	-0.080
4	C	-0.080
5	C	-0.113
6	C	-0.113
7	Cl	-0.101
8	Cl	-0.101
9	H	0.141
10	H	0.141
11	H	0.127
12	H	0.127

<r²>	359.313
(<r²>)^1/2	18.956

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

using model chemistry: HF/TZVP

States and conformations

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