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	hartrees
Energy at 0K	-1150.875345
Energy at 298.15K	-1150.879489
HF Energy	-1150.520178
Nuclear repulsion energy	451.708078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3096	0.49
2	A₁	3258	3090	2.71
3	A₁	3231	3064	5.33
4	A₁	1642	1557	24.91
5	A₁	1465	1390	12.79
6	A₁	1156	1096	17.60
7	A₁	1113	1055	17.34
8	A₁	1017	964	5.03
9	A₁	680	645	2.04
10	A₁	404	383	3.22
11	A₁	199	189	0.48
12	A₂	892	846	0.00
13	A₂	536	508	0.00
14	A₂	206	195	0.00
15	B₁	954	905	0.01
16	B₁	863	818	10.48
17	B₁	780	740	53.58
18	B₁	650	616	3.03
19	B₁	442	420	2.88
20	B₁	169	161	0.01
21	B₂	3253	3086	1.07
22	B₂	1644	1559	71.24
23	B₂	1519	1441	67.14
24	B₂	1373	1302	0.24
25	B₂	1317	1249	2.67
26	B₂	1211	1149	0.34
27	B₂	1122	1064	25.28
28	B₂	800	759	83.90
29	B₂	435	413	4.16
30	B₂	372	353	0.32

Atom	y (Å)	z (Å)
C1	0.000	2.078
C2	1.213	1.391
C3	-1.213	1.391
C4	1.196	-0.003
C5	-1.196	-0.003
C6	0.000	-0.718
Cl7	2.707	-0.883
Cl8	-2.707	-0.883
H9	0.000	3.163
H10	2.157	1.922
H11	-2.157	1.922
H12	0.000	-1.800

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3944	1.3944	2.3998	2.3998	2.7957	4.0115	4.0115	1.0847	2.1627	2.1627	3.8782
C2	1.3944		2.4267	1.3936	2.7833	2.4329	2.7202	4.5317	2.1474	1.0832	3.4122	3.4141
C3	1.3944	2.4267		2.7833	1.3936	2.4329	4.5317	2.7202	2.1474	3.4122	1.0832	3.4141
C4	2.3998	1.3936	2.7833		2.3919	1.3935	1.7484	4.0006	3.3837	2.1517	3.8664	2.1592
C5	2.3998	2.7833	1.3936	2.3919		1.3935	4.0006	1.7484	3.3837	3.8664	2.1517	2.1592
C6	2.7957	2.4329	2.4329	1.3935	1.3935		2.7116	2.7116	3.8805	3.4095	3.4095	1.0825
Cl7	4.0115	2.7202	4.5317	1.7484	4.0006	2.7116		5.4132	4.8674	2.8586	5.6148	2.8579
Cl8	4.0115	4.5317	2.7202	4.0006	1.7484	2.7116	5.4132		4.8674	5.6148	2.8586	2.8579
H9	1.0847	2.1474	2.1474	3.3837	3.3837	3.8805	4.8674	4.8674		2.4882	2.4882	4.9629
H10	2.1627	1.0832	3.4122	2.1517	3.8664	3.4095	2.8586	5.6148	2.4882		4.3143	4.3026
H11	2.1627	3.4122	1.0832	3.8664	2.1517	3.4095	5.6148	2.8586	2.4882	4.3143		4.3026
H12	3.8782	3.4141	3.4141	2.1592	2.1592	1.0825	2.8579	2.8579	4.9629	4.3026	4.3026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.804	C1	C2	H10	121.089
C1	C3	C5	118.804	C1	C3	H11	121.089
C2	C1	C3	120.961	C2	C1	H9	119.519
C2	C4	C6	121.596	C2	C4	Cl7	119.513
C3	C1	H9	119.519	C3	C5	C6	121.596
C3	C5	Cl8	119.513	C4	C2	H10	120.107
C4	C6	C5	118.239	C4	C6	H12	120.880
C5	C3	H11	120.107	C5	C6	H12	120.880
C6	C4	Cl7	118.891	C6	C5	Cl8	118.891

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G*

States and conformations

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