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	hartrees
Energy at 0K	-1149.570673
Energy at 298.15K	-1149.574752
HF Energy	-1148.500057
Nuclear repulsion energy	451.616080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3089	0.31
2	A₁	3239	3085	3.71
3	A₁	3212	3059	5.10
4	A₁	1668	1589	22.06
5	A₁	1479	1408	14.63
6	A₁	1177	1121	16.88
7	A₁	1124	1070	11.96
8	A₁	1020	971	4.81
9	A₁	684	652	1.59
10	A₁	409	389	2.45
11	A₁	200	191	0.50
12	A₂	877	835	0.00
13	A₂	527	502	0.00
14	A₂	205	195	0.00
15	B₁	920	876	0.32
16	B₁	844	803	4.40
17	B₁	768	731	68.64
18	B₁	562	535	0.16
19	B₁	434	413	3.08
20	B₁	170	162	0.03
21	B₂	3234	3080	1.54
22	B₂	1674	1595	64.79
23	B₂	1534	1461	60.85
24	B₂	1340	1277	1.70
25	B₂	1281	1220	0.45
26	B₂	1213	1156	0.36
27	B₂	1137	1083	19.21
28	B₂	815	776	68.83
29	B₂	439	418	2.59
30	B₂	374	356	0.23

Atom	y (Å)	z (Å)
C1	0.000	2.079
C2	1.214	1.391
C3	-1.214	1.391
C4	1.198	-0.004
C5	-1.198	-0.004
C6	0.000	-0.718
Cl7	2.705	-0.883
Cl8	-2.705	-0.883
H9	0.000	3.168
H10	2.161	1.925
H11	-2.161	1.925
H12	0.000	-1.805

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3961	1.3961	2.4031	2.4031	2.7977	4.0120	4.0120	1.0884	2.1669	2.1669	3.8841
C2	1.3961		2.4289	1.3948	2.7864	2.4338	2.7192	4.5317	2.1524	1.0871	3.4178	3.4185
C3	1.3961	2.4289		2.7864	1.3948	2.4338	4.5317	2.7192	2.1524	3.4178	1.0871	3.4185
C4	2.4031	1.3948	2.7864		2.3956	1.3947	1.7453	4.0010	3.3903	2.1560	3.8735	2.1628
C5	2.4031	2.7864	1.3948	2.3956		1.3947	4.0010	1.7453	3.3903	3.8735	2.1560	2.1628
C6	2.7977	2.4338	2.4338	1.3947	1.3947		2.7104	2.7104	3.8861	3.4143	3.4143	1.0864
Cl7	4.0120	2.7192	4.5317	1.7453	4.0010	2.7104		5.4108	4.8714	2.8603	5.6187	2.8580
Cl8	4.0120	4.5317	2.7192	4.0010	1.7453	2.7104	5.4108		4.8714	5.6187	2.8603	2.8580
H9	1.0884	2.1524	2.1524	3.3903	3.3903	3.8861	4.8714	4.8714		2.4933	2.4933	4.9725
H10	2.1669	1.0871	3.4178	2.1560	3.8735	3.4143	2.8603	5.6187	2.4933		4.3227	4.3105
H11	2.1669	3.4178	1.0871	3.8735	2.1560	3.4143	5.6187	2.8603	2.4933	4.3227		4.3105
H12	3.8841	3.4185	3.4185	2.1628	2.1628	1.0864	2.8580	2.8580	4.9725	4.3105	4.3105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.868	C1	C2	H10	121.027
C1	C3	C5	118.868	C1	C3	H11	121.027
C2	C1	C3	120.896	C2	C1	H9	119.552
C2	C4	C6	121.497	C2	C4	Cl7	119.570
C3	C1	H9	119.552	C3	C5	C6	121.497
C3	C5	Cl8	119.570	C4	C2	H10	120.105
C4	C6	C5	118.375	C4	C6	H12	120.813
C5	C3	H11	120.105	C5	C6	H12	120.813
C6	C4	Cl7	118.933	C6	C5	Cl8	118.933

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

using model chemistry: QCISD/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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All results from a given calculation for C6H4Cl2 (1,3-dichlorobenzene)

using model chemistry: QCISD/6-31G*

States and conformations

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