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	hartrees
Energy at 0K	-1151.466906
Energy at 298.15K	-1151.471033
HF Energy	-1151.466906
Nuclear repulsion energy	451.130645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3242	3108	0.16
2	A₁	3232	3098	3.59
3	A₁	3200	3068	6.67
4	A₁	1623	1556	25.69
5	A₁	1449	1389	11.64
6	A₁	1134	1087	17.40
7	A₁	1098	1052	21.70
8	A₁	1004	963	5.96
9	A₁	666	639	2.41
10	A₁	397	380	3.86
11	A₁	195	187	0.52
12	A₂	901	863	0.00
13	A₂	536	514	0.00
14	A₂	203	195	0.00
15	B₁	978	938	0.24
16	B₁	876	840	13.63
17	B₁	783	750	42.46
18	B₁	678	650	9.58
19	B₁	439	421	3.36
20	B₁	168	161	0.01
21	B₂	3227	3094	1.98
22	B₂	1624	1557	74.76
23	B₂	1499	1437	69.82
24	B₂	1356	1300	0.33
25	B₂	1301	1247	3.22
26	B₂	1193	1143	0.31
27	B₂	1102	1056	28.40
28	B₂	782	750	97.23
29	B₂	426	409	5.30
30	B₂	362	347	0.35

Atom	y (Å)	z (Å)
C1	0.000	2.080
C2	1.215	1.394
C3	-1.215	1.394
C4	1.196	-0.002
C5	-1.196	-0.002
C6	0.000	-0.721
Cl7	2.709	-0.884
Cl8	-2.709	-0.884
H9	0.000	3.166
H10	2.160	1.925
H11	-2.160	1.925
H12	0.000	-1.804

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3961	1.3961	2.4015	2.4015	2.8013	4.0160	4.0160	1.0854	2.1654	2.1654	3.8838
C2	1.3961		2.4310	1.3957	2.7864	2.4390	2.7239	4.5378	2.1489	1.0835	3.4169	3.4203
C3	1.3961	2.4310		2.7864	1.3957	2.4390	4.5378	2.7239	2.1489	3.4169	1.0835	3.4203
C4	2.4015	1.3957	2.7864		2.3924	1.3956	1.7514	4.0039	3.3861	2.1544	3.8699	2.1624
C5	2.4015	2.7864	1.3957	2.3924		1.3956	4.0039	1.7514	3.3861	3.8699	2.1544	2.1624
C6	2.8013	2.4390	2.4390	1.3956	1.3956		2.7142	2.7142	3.8867	3.4154	3.4154	1.0825
Cl7	4.0160	2.7239	4.5378	1.7514	4.0039	2.7142		5.4185	4.8725	2.8622	5.6213	2.8610
Cl8	4.0160	4.5378	2.7239	4.0039	1.7514	2.7142	5.4185		4.8725	5.6213	2.8622	2.8610
H9	1.0854	2.1489	2.1489	3.3861	3.3861	3.8867	4.8725	4.8725		2.4909	2.4909	4.9692
H10	2.1654	1.0835	3.4169	2.1544	3.8699	3.4154	2.8622	5.6213	2.4909		4.3197	4.3087
H11	2.1654	3.4169	1.0835	3.8699	2.1544	3.4154	5.6213	2.8622	2.4909	4.3197		4.3087
H12	3.8838	3.4203	3.4203	2.1624	2.1624	1.0825	2.8610	2.8610	4.9692	4.3087	4.3087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.675	C1	C2	H10	121.175
C1	C3	C5	118.675	C1	C3	H11	121.175
C2	C1	C3	121.068	C2	C1	H9	119.466
C2	C4	C6	121.798	C2	C4	Cl7	119.452
C3	C1	H9	119.466	C3	C5	C6	121.798
C3	C5	Cl8	119.452	C4	C2	H10	120.151
C4	C6	C5	117.987	C4	C6	H12	121.006
C5	C3	H11	120.151	C5	C6	H12	121.006
C6	C4	Cl7	118.751	C6	C5	Cl8	118.751

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

using model chemistry: TPSSh/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	-0.118
2	C	-0.088
3	C	-0.088
4	C	-0.128
5	C	-0.128
6	C	-0.064
7	Cl	0.006
8	Cl	0.006
9	H	0.140
10	H	0.148
11	H	0.148
12	H	0.164

<r²>	430.114
(<r²>)^1/2	20.739

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

using model chemistry: TPSSh/6-31G**

States and conformations

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