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	hartrees
Energy at 0K	-1138.550155
Energy at 298.15K	-1138.554009
HF Energy	-1138.550155
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3533	3533	14.43
2	A₁	3517	3517	6.05
3	A₁	1743	1743	0.69
4	A₁	1604	1604	68.46
5	A₁	1313	1313	0.02
6	A₁	1263	1263	18.53
7	A₁	1245	1245	8.83
8	A₁	1123	1123	0.09
9	A₁	706	706	11.43
10	A₁	500	500	5.89
11	A₁	192	192	0.25
12	A₂	1073	1073	0.00
13	A₂	934	934	0.00
14	A₂	747	747	0.00
15	A₂	532	532	0.00
16	A₂	145	145	0.00
17	B₁	1031	1031	1.85
18	B₁	812	812	37.12
19	B₁	458	458	0.61
20	B₁	242	242	0.22
21	B₂	3524	3524	43.61
22	B₂	3506	3506	1.23
23	B₂	1755	1755	3.53
24	B₂	1573	1573	27.86
25	B₂	1348	1348	2.67
26	B₂	1227	1227	6.48
27	B₂	1119	1119	26.50
28	B₂	802	802	10.79
29	B₂	437	437	1.77
30	B₂	338	338	0.16

Atom	y (Å)	z (Å)
C1	0.707	-0.011
C2	-0.707	-0.011
C3	1.409	1.208
C4	-1.409	1.208
C5	0.702	2.419
C6	-0.702	2.419
Cl7	1.631	-1.545
Cl8	-1.631	-1.545
H9	2.505	1.196
H10	-2.505	1.196
H11	1.253	3.367
H12	-1.253	3.367

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4138	1.4074	2.4425	2.4305	2.8093	1.7899	2.7954	2.1663	3.4318	3.4219	3.9055
C2	1.4138		2.4425	1.4074	2.8093	2.4305	2.7954	1.7899	3.4318	2.1663	3.9055	3.4219
C3	1.4074	2.4425		2.8185	1.4023	2.4338	2.7616	4.1010	1.0962	3.9147	2.1640	3.4274
C4	2.4425	1.4074	2.8185		2.4338	1.4023	4.1010	2.7616	3.9147	1.0962	3.4274	2.1640
C5	2.4305	2.8093	1.4023	2.4338		1.4038	4.0710	4.5990	2.1790	3.4326	1.0962	2.1725
C6	2.8093	2.4305	2.4338	1.4023	1.4038		4.5990	4.0710	3.4326	2.1790	2.1725	1.0962
Cl7	1.7899	2.7954	2.7616	4.1010	4.0710	4.5990		3.2613	2.8769	4.9617	4.9256	5.6952
Cl8	2.7954	1.7899	4.1010	2.7616	4.5990	4.0710	3.2613		4.9617	2.8769	5.6952	4.9256
H9	2.1663	3.4318	1.0962	3.9147	2.1790	3.4326	2.8769	4.9617		5.0108	2.5058	4.3402
H10	3.4318	2.1663	3.9147	1.0962	3.4326	2.1790	4.9617	2.8769	5.0108		4.3402	2.5058
H11	3.4219	3.9055	2.1640	3.4274	1.0962	2.1725	4.9256	5.6952	2.5058	4.3402		2.5062
H12	3.9055	3.4219	3.4274	2.1640	2.1725	1.0962	5.6952	4.9256	4.3402	2.5058	2.5062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.936	C1	C2	Cl8	121.070
C1	C3	C5	119.773	C1	C3	H9	119.305
C2	C1	C3	119.936	C2	C1	Cl7	121.070
C2	C4	C6	119.773	C2	C4	H10	119.305
C3	C1	Cl7	118.994	C3	C5	C6	120.291
C3	C5	H11	119.521	C4	C2	Cl8	118.994
C4	C6	C5	120.291	C4	C6	H12	119.521
C5	C3	H9	120.922	C5	C6	H12	120.188
C6	C4	H10	120.922	C6	C5	H11	120.188

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

using model chemistry: wB97X-D/STO-3G

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	0.030
2	C	0.030
3	C	-0.068
4	C	-0.068
5	C	-0.070
6	C	-0.070
7	Cl	-0.094
8	Cl	-0.094
9	H	0.107
10	H	0.107
11	H	0.096
12	H	0.096

<r²>	370.529
(<r²>)^1/2	19.249

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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