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	hartrees
Energy at 0K	-1149.827205
Energy at 298.15K	-1149.831486
HF Energy	-1148.526402
Nuclear repulsion energy	469.791935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3262	3084	3.24
2	A₁	3246	3069	3.94
3	A₁	1647	1557	3.61
4	A₁	1520	1437	59.79
5	A₁	1271	1202	0.80
6	A₁	1194	1129	11.73
7	A₁	1182	1118	22.99
8	A₁	1072	1014	4.73
9	A₁	676	639	13.65
10	A₁	490	464	4.65
11	A₁	204	193	0.00
12	A₂	987	933	0.00
13	A₂	892	844	0.00
14	A₂	699	661	0.00
15	A₂	524	495	0.00
16	A₂	141	133	0.00
17	B₁	964	911	1.48
18	B₁	786	743	51.98
19	B₁	452	427	3.15
20	B₁	239	226	0.50
21	B₂	3257	3080	1.28
22	B₂	3233	3057	0.88
23	B₂	1656	1566	5.35
24	B₂	1482	1401	18.76
25	B₂	1294	1224	3.10
26	B₂	1169	1106	2.62
27	B₂	1054	997	32.14
28	B₂	761	720	13.90
29	B₂	436	412	0.46
30	B₂	342	323	0.04

Atom	y (Å)	z (Å)
C1	0.698	-0.031
C2	-0.698	-0.031
C3	1.392	1.179
C4	-1.392	1.179
C5	0.697	2.382
C6	-0.697	2.382
Cl7	1.599	-1.509
Cl8	-1.599	-1.509
H9	2.474	1.160
H10	-2.474	1.160
H11	1.245	3.316
H12	-1.245	3.316

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3956	1.3940	2.4140	2.4128	2.7868	1.7318	2.7318	2.1378	3.3874	3.3911	3.8697
C2	1.3956		2.4140	1.3940	2.7868	2.4128	2.7318	1.7318	3.3874	2.1378	3.8697	3.3911
C3	1.3940	2.4140		2.7832	1.3900	2.4104	2.6958	4.0210	1.0822	3.8653	2.1427	3.3943
C4	2.4140	1.3940	2.7832		2.4104	1.3900	4.0210	2.6958	3.8653	1.0822	3.3943	2.1427
C5	2.4128	2.7868	1.3900	2.4104		1.3933	3.9949	4.5183	2.1570	3.3979	1.0829	2.1545
C6	2.7868	2.4128	2.4104	1.3900	1.3933		4.5183	3.9949	3.3979	2.1570	2.1545	1.0829
Cl7	1.7318	2.7318	2.6958	4.0210	3.9949	4.5183		3.1982	2.8086	4.8694	4.8384	5.6013
Cl8	2.7318	1.7318	4.0210	2.6958	4.5183	3.9949	3.1982		4.8694	2.8086	5.6013	4.8384
H9	2.1378	3.3874	1.0822	3.8653	2.1570	3.3979	2.8086	4.8694		4.9473	2.4819	4.2987
H10	3.3874	2.1378	3.8653	1.0822	3.3979	2.1570	4.8694	2.8086	4.9473		4.2987	2.4819
H11	3.3911	3.8697	2.1427	3.3943	1.0829	2.1545	4.8384	5.6013	2.4819	4.2987		2.4900
H12	3.8697	3.3911	3.3943	2.1427	2.1545	1.0829	5.6013	4.8384	4.2987	2.4819	2.4900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.849	C1	C2	Cl8	121.363
C1	C3	C5	120.153	C1	C3	H9	118.852
C2	C1	C3	119.849	C2	C1	Cl7	121.363
C2	C4	C6	120.153	C2	C4	H10	118.852
C3	C1	Cl7	118.787	C3	C5	C6	119.998
C3	C5	H11	119.581	C4	C2	Cl8	118.787
C4	C6	C5	119.998	C4	C6	H12	119.581
C5	C3	H9	120.995	C5	C6	H12	120.421
C6	C4	H10	120.995	C6	C5	H11	120.421

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)

using model chemistry: CCSD/6-31G(2df,p)

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 (1,2-dichlorobenzene)

using model chemistry: CCSD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)