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	hartrees
Energy at 0K	-1138.366936
Energy at 298.15K	-1138.370384
HF Energy	-1138.366936
Nuclear repulsion energy	438.805565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3380	3128	11.70
2	A₁	3379	3126	23.42
3	A₁	3355	3104	1.07
4	A₁	1622	1500	26.92
5	A₁	1460	1351	12.73
6	A₁	1177	1089	21.87
7	A₁	1106	1024	1.66
8	A₁	1006	931	3.26
9	A₁	674	624	1.39
10	A₁	392	363	2.93
11	A₁	179	166	1.57
12	A₂	908	840	0.00
13	A₂	509	471	0.00
14	A₂	201	186	0.00
15	B₁	987	913	0.19
16	B₁	874	809	9.87
17	B₁	781	722	31.96
18	B₁	671	620	2.66
19	B₁	426	394	0.71
20	B₁	160	148	0.52
21	B₂	3373	3120	22.51
22	B₂	1625	1504	57.47
23	B₂	1519	1405	74.49
24	B₂	1321	1222	2.75
25	B₂	1290	1193	0.51
26	B₂	1204	1114	0.01
27	B₂	1110	1027	32.62
28	B₂	809	748	52.71
29	B₂	421	389	3.61
30	B₂	337	312	0.03

Atom	y (Å)	z (Å)
C1	0.000	2.131
C2	1.237	1.430
C3	-1.237	1.430
C4	1.219	0.004
C5	-1.219	0.004
C6	0.000	-0.734
Cl7	2.798	-0.910
Cl8	-2.798	-0.910
H9	0.000	3.238
H10	2.200	1.973
H11	-2.200	1.973
H12	0.000	-1.840

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4221	1.4221	2.4514	2.4514	2.8656	4.1326	4.1326	1.1068	2.2061	2.2061	3.9709
C2	1.4221		2.4748	1.4259	2.8404	2.4934	2.8130	4.6650	2.1907	1.1056	3.4805	3.4962
C3	1.4221	2.4748		2.8404	1.4259	2.4934	4.6650	2.8130	2.1907	3.4805	1.1056	3.4962
C4	2.4514	1.4259	2.8404		2.4385	1.4256	1.8246	4.1201	3.4558	2.1998	3.9460	2.2107
C5	2.4514	2.8404	1.4259	2.4385		1.4256	4.1201	1.8246	3.4558	3.9460	2.1998	2.2107
C6	2.8656	2.4934	2.4934	1.4256	1.4256		2.8036	2.8036	3.9724	3.4891	3.4891	1.1053
Cl7	4.1326	2.8130	4.6650	1.8246	4.1201	2.8036		5.5962	5.0036	2.9446	5.7705	2.9485
Cl8	4.1326	4.6650	2.8130	4.1201	1.8246	2.8036	5.5962		5.0036	5.7705	2.9446	2.9485
H9	1.1068	2.1907	2.1907	3.4558	3.4558	3.9724	5.0036	5.0036		2.5380	2.5380	5.0777
H10	2.2061	1.1056	3.4805	2.1998	3.9460	3.4891	2.9446	5.7705	2.5380		4.4009	4.4024
H11	2.2061	3.4805	1.1056	3.9460	2.1998	3.4891	5.7705	2.9446	2.5380	4.4009		4.4024
H12	3.9709	3.4962	3.4962	2.2107	2.2107	1.1053	2.9485	2.9485	5.0777	4.4024	4.4024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.799	C1	C2	H10	121.052
C1	C3	C5	118.799	C1	C3	H11	121.052
C2	C1	C3	120.941	C2	C1	H9	119.529
C2	C4	C6	121.946	C2	C4	Cl7	119.350
C3	C1	H9	119.529	C3	C5	C6	121.946
C3	C5	Cl8	119.350	C4	C2	H10	120.149
C4	C6	C5	117.568	C4	C6	H12	121.216
C5	C3	H11	120.149	C5	C6	H12	121.216
C6	C4	Cl7	118.704	C6	C5	Cl8	118.704

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

using model chemistry: BLYP/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	-0.064
2	C	-0.069
3	C	-0.069
4	C	0.031
5	C	0.031
6	C	-0.067
7	Cl	-0.101
8	Cl	-0.101
9	H	0.095
10	H	0.102
11	H	0.102
12	H	0.112

<r²>	452.324
(<r²>)^1/2	21.268

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

using model chemistry: BLYP/STO-3G

States and conformations

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