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	hartrees
Energy at 0K	-1148.596522
Energy at 298.15K	-1148.601185
HF Energy	-1148.596522
Nuclear repulsion energy	454.794835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3383	3073	0.31
2	A₁	3373	3064	4.21
3	A₁	3341	3035	6.21
4	A₁	1762	1601	28.00
5	A₁	1558	1415	18.31
6	A₁	1228	1116	27.66
7	A₁	1174	1067	14.30
8	A₁	1082	983	4.16
9	A₁	725	658	2.42
10	A₁	430	391	3.45
11	A₁	212	193	0.29
12	A₂	1022	929	0.00
13	A₂	598	543	0.00
14	A₂	225	204	0.00
15	B₁	1109	1007	0.09
16	B₁	998	906	12.82
17	B₁	879	798	45.00
18	B₁	751	682	27.56
19	B₁	487	442	6.45
20	B₁	184	167	0.11
21	B₂	3368	3059	1.53
22	B₂	1768	1606	83.72
23	B₂	1622	1474	73.71
24	B₂	1422	1292	2.23
25	B₂	1299	1180	0.04
26	B₂	1201	1091	18.17
27	B₂	1176	1068	13.72
28	B₂	849	771	94.12
29	B₂	465	423	4.07
30	B₂	399	362	0.87

Atom	y (Å)	z (Å)
C1	0.000	2.063
C2	1.203	1.380
C3	-1.203	1.380
C4	1.186	-0.001
C5	-1.186	-0.001
C6	0.000	-0.709
Cl7	2.691	-0.878
Cl8	-2.691	-0.878
H9	0.000	3.137
H10	2.138	1.907
H11	-2.138	1.907
H12	0.000	-1.781

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3836	1.3836	2.3803	2.3803	2.7719	3.9862	3.9862	1.0747	2.1433	2.1433	3.8436
C2	1.3836		2.4067	1.3810	2.7597	2.4109	2.7039	4.5017	2.1300	1.0729	3.3823	3.3821
C3	1.3836	2.4067		2.7597	1.3810	2.4109	4.5017	2.7039	2.1300	3.3823	1.0729	3.3821
C4	2.3803	1.3810	2.7597		2.3720	1.3813	1.7421	3.9753	3.3550	2.1324	3.8325	2.1388
C5	2.3803	2.7597	1.3810	2.3720		1.3813	3.9753	1.7421	3.3550	3.8325	2.1324	2.1388
C6	2.7719	2.4109	2.4109	1.3813	1.3813		2.6967	2.6967	3.8466	3.3786	3.3786	1.0717
Cl7	3.9862	2.7039	4.5017	1.7421	3.9753	2.6967		5.3828	4.8337	2.8395	5.5745	2.8389
Cl8	3.9862	4.5017	2.7039	3.9753	1.7421	2.6967	5.3828		4.8337	5.5745	2.8395	2.8389
H9	1.0747	2.1300	2.1300	3.3550	3.3550	3.8466	4.8337	4.8337		2.4663	2.4663	4.9183
H10	2.1433	1.0729	3.3823	2.1324	3.8325	3.3786	2.8395	5.5745	2.4663		4.2753	4.2628
H11	2.1433	3.3823	1.0729	3.8325	2.1324	3.3786	5.5745	2.8395	2.4663	4.2753		4.2628
H12	3.8436	3.3821	3.3821	2.1388	2.1388	1.0717	2.8389	2.8389	4.9183	4.2628	4.2628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.854	C1	C2	H10	120.985
C1	C3	C5	118.854	C1	C3	H11	120.985
C2	C1	C3	120.853	C2	C1	H9	119.573
C2	C4	C6	121.561	C2	C4	Cl7	119.495
C3	C1	H9	119.573	C3	C5	C6	121.561
C3	C5	Cl8	119.495	C4	C2	H10	120.162
C4	C6	C5	118.317	C4	C6	H12	120.841
C5	C3	H11	120.162	C5	C6	H12	120.841
C6	C4	Cl7	118.944	C6	C5	Cl8	118.944

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

using model chemistry: HF/6-311G**

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	-0.072
2	C	-0.000
3	C	-0.000
4	C	-0.196
5	C	-0.196
6	C	0.105
7	Cl	-0.085
8	Cl	-0.085
9	H	0.118
10	H	0.130
11	H	0.130
12	H	0.150

<r²>	425.524
(<r²>)^1/2	20.628

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

using model chemistry: HF/6-311G**

States and conformations

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