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	hartrees
Energy at 0K	-1148.496894
Energy at 298.15K	-1148.501555
HF Energy	-1148.496894
Nuclear repulsion energy	470.951310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3408	3062	7.18
2	A₁	3390	3046	12.25
3	A₁	1770	1590	3.37
4	A₁	1639	1472	68.18
5	A₁	1319	1185	0.86
6	A₁	1254	1127	39.88
7	A₁	1199	1077	1.74
8	A₁	1138	1023	7.08
9	A₁	725	651	17.49
10	A₁	518	466	7.83
11	A₁	220	197	0.00
12	A₂	1122	1008	0.00
13	A₂	984	884	0.00
14	A₂	790	710	0.00
15	A₂	573	515	0.00
16	A₂	152	137	0.00
17	B₁	1083	973	2.50
18	B₁	855	768	68.97
19	B₁	496	445	4.96
20	B₁	260	234	0.69
21	B₂	3404	3059	7.43
22	B₂	3375	3032	2.03
23	B₂	1787	1605	6.19
24	B₂	1599	1437	23.41
25	B₂	1396	1255	4.52
26	B₂	1247	1120	4.65
27	B₂	1135	1020	40.21
28	B₂	809	727	19.36
29	B₂	464	417	0.78
30	B₂	366	329	0.22

Atom	y (Å)	z (Å)
C1	0.693	-0.029
C2	-0.693	-0.029
C3	1.382	1.175
C4	-1.382	1.175
C5	0.693	2.372
C6	-0.693	2.372
Cl7	1.607	-1.504
Cl8	-1.607	-1.504
H9	2.455	1.160
H10	-2.455	1.160
H11	1.237	3.298
H12	-1.237	3.298

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3868	1.3868	2.3993	2.4009	2.7723	1.7348	2.7324	2.1255	3.3657	3.3714	3.8467
C2	1.3868		2.3993	1.3868	2.7723	2.4009	2.7324	1.7348	3.3657	2.1255	3.8467	3.3714
C3	1.3868	2.3993		2.7643	1.3816	2.3955	2.6879	4.0135	1.0732	3.8374	2.1287	3.3719
C4	2.3993	1.3868	2.7643		2.3955	1.3816	4.0135	2.6879	3.8374	1.0732	3.3719	2.1287
C5	2.4009	2.7723	1.3816	2.3955		1.3855	3.9820	4.5066	2.1390	3.3732	1.0744	2.1405
C6	2.7723	2.4009	2.3955	1.3816	1.3855		4.5066	3.9820	3.3732	2.1390	2.1405	1.0744
Cl7	1.7348	2.7324	2.6879	4.0135	3.9820	4.5066		3.2137	2.7957	4.8576	4.8164	5.5810
Cl8	2.7324	1.7348	4.0135	2.6879	4.5066	3.9820	3.2137		4.8576	2.7957	5.5810	4.8164
H9	2.1255	3.3657	1.0732	3.8374	2.1390	3.3732	2.7957	4.8576		4.9105	2.4610	4.2667
H10	3.3657	2.1255	3.8374	1.0732	3.3732	2.1390	4.8576	2.7957	4.9105		4.2667	2.4610
H11	3.3714	3.8467	2.1287	3.3719	1.0744	2.1405	4.8164	5.5810	2.4610	4.2667		2.4738
H12	3.8467	3.3714	3.3719	2.1287	2.1405	1.0744	5.5810	4.8164	4.2667	2.4610	2.4738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.778	C1	C2	Cl8	121.773
C1	C3	C5	120.288	C1	C3	H9	118.998
C2	C1	C3	119.778	C2	C1	Cl7	121.773
C2	C4	C6	120.288	C2	C4	H10	118.998
C3	C1	Cl7	118.449	C3	C5	C6	119.934
C3	C5	H11	119.636	C4	C2	Cl8	118.449
C4	C6	C5	119.934	C4	C6	H12	119.636
C5	C3	H9	120.714	C5	C6	H12	120.429
C6	C4	H10	120.714	C6	C5	H11	120.429

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

using model chemistry: HF/6-31G*

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	-0.125
2	C	-0.125
3	C	-0.174
4	C	-0.174
5	C	-0.194
6	C	-0.194
7	Cl	0.037
8	Cl	0.037
9	H	0.237
10	H	0.237
11	H	0.220
12	H	0.220

<r²>	359.037
(<r²>)^1/2	18.948

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

using model chemistry: HF/6-31G*

States and conformations

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