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	hartrees
Energy at 0K	-258.860324
Energy at 298.15K	-258.864900
HF Energy	-258.860324
Nuclear repulsion energy	287.109814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3443	3099	2.11
2	A₁	3441	3097	7.32
3	A₁	3411	3069	5.77
4	A₁	1769	1592	28.51
5	A₁	1565	1408	14.17
6	A₁	1224	1101	9.11
7	A₁	1171	1054	30.53
8	A₁	1093	984	5.69
9	A₁	722	650	2.39
10	A₁	409	368	5.47
11	A₁	201	181	1.41
12	A₂	1057	951	0.00
13	A₂	593	533	0.00
14	A₂	225	203	0.00
15	B₁	1139	1025	0.40
16	B₁	1032	929	18.54
17	B₁	910	819	69.95
18	B₁	766	689	40.76
19	B₁	493	443	8.40
20	B₁	181	163	0.01
21	B₂	3433	3089	2.11
22	B₂	1770	1593	75.75
23	B₂	1624	1462	65.83
24	B₂	1446	1301	2.29
25	B₂	1339	1205	0.21
26	B₂	1280	1152	0.00
27	B₂	1193	1074	17.35
28	B₂	809	728	92.47
29	B₂	454	408	8.18
30	B₂	380	342	0.39

Atom	y (Å)	z (Å)
C1	0.000	2.088
C2	1.212	1.397
C3	-1.212	1.397
C4	1.188	0.010
C5	-1.188	0.010
C6	0.000	-0.709
Cl7	2.742	-0.894
Cl8	-2.742	-0.894
H9	0.000	3.159
H10	2.143	1.924
H11	-2.143	1.924
H12	0.000	-1.778

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3951	1.3951	2.3937	2.3937	2.7970	4.0510	4.0510	1.0710	2.1495	2.1495	3.8663
C2	1.3951		2.4242	1.3878	2.7720	2.4302	2.7551	4.5700	2.1384	1.0700	3.3965	3.3991
C3	1.3951	2.4242		2.7720	1.3878	2.4302	4.5700	2.7551	2.1384	3.3965	1.0700	3.3991
C4	2.3937	1.3878	2.7720		2.3752	1.3882	1.7980	4.0321	3.3658	2.1398	3.8419	2.1465
C5	2.3937	2.7720	1.3878	2.3752		1.3882	4.0321	1.7980	3.3658	3.8419	2.1398	2.1465
C6	2.7970	2.4302	2.4302	1.3882	1.3882		2.7482	2.7482	3.8681	3.3953	3.3953	1.0693
Cl7	4.0510	2.7551	4.5700	1.7980	4.0321	2.7482		5.4839	4.8934	2.8812	5.6399	2.8810
Cl8	4.0510	4.5700	2.7551	4.0321	1.7980	2.7482	5.4839		4.8934	5.6399	2.8812	2.8810
H9	1.0710	2.1384	2.1384	3.3658	3.3658	3.8681	4.8934	4.8934		2.4735	2.4735	4.9373
H10	2.1495	1.0700	3.3965	2.1398	3.8419	3.3953	2.8812	5.6399	2.4735		4.2866	4.2782
H11	2.1495	3.3965	1.0700	3.8419	2.1398	3.3953	5.6399	2.8812	2.4735	4.2866		4.2782
H12	3.8663	3.3991	3.3991	2.1465	2.1465	1.0693	2.8810	2.8810	4.9373	4.2782	4.2782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.665	C1	C2	H10	120.817
C1	C3	C5	118.665	C1	C3	H11	120.817
C2	C1	C3	120.648	C2	C1	H9	119.676
C2	C4	C6	122.194	C2	C4	Cl7	119.165
C3	C1	H9	119.676	C3	C5	C6	122.194
C3	C5	Cl8	119.165	C4	C2	H10	120.518
C4	C6	C5	117.633	C4	C6	H12	121.184
C5	C3	H11	120.518	C5	C6	H12	121.184
C6	C4	Cl7	118.640	C6	C5	Cl8	118.640

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)

using model chemistry: HF/LANL2DZ

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	-0.175
2	C	-0.180
3	C	-0.180
4	C	-0.092
5	C	-0.092
6	C	-0.146
7	Cl	-0.072
8	Cl	-0.072
9	H	0.231
10	H	0.252
11	H	0.252
12	H	0.274

<r²>	271.384
(<r²>)^1/2	16.474

All results from a given calculation for C6H4Cl2 (1,3-dichlorobenzene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)