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	hartrees
Energy at 0K	-1149.828957
Energy at 298.15K	-1149.833230
HF Energy	-1148.526343
Nuclear repulsion energy	469.667228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3088	3.45
2	A₁	3243	3073	4.07
3	A₁	1644	1558	3.68
4	A₁	1518	1438	59.88
5	A₁	1267	1200	0.84
6	A₁	1193	1130	11.72
7	A₁	1180	1118	23.54
8	A₁	1071	1014	4.81
9	A₁	675	640	13.63
10	A₁	489	464	4.69
11	A₁	204	193	0.00
12	A₂	986	934	0.00
13	A₂	891	844	0.00
14	A₂	698	662	0.00
15	A₂	523	496	0.00
16	A₂	140	133	0.00
17	B₁	963	912	1.48
18	B₁	785	744	51.93
19	B₁	451	428	3.15
20	B₁	239	226	0.50
21	B₂	3254	3083	1.44
22	B₂	3230	3060	0.87
23	B₂	1654	1567	5.42
24	B₂	1480	1402	18.72
25	B₂	1293	1225	3.15
26	B₂	1168	1106	2.61
27	B₂	1052	997	32.22
28	B₂	760	720	14.11
29	B₂	436	413	0.47
30	B₂	341	323	0.05

Atom	y (Å)	z (Å)
C1	0.698	-0.030
C2	-0.698	-0.030
C3	1.392	1.179
C4	-1.392	1.179
C5	0.697	2.383
C6	-0.697	2.383
Cl7	1.599	-1.510
Cl8	-1.599	-1.510
H9	2.474	1.160
H10	-2.474	1.160
H11	1.245	3.317
H12	-1.245	3.317

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3959	1.3944	2.4146	2.4134	2.7875	1.7324	2.7324	2.1384	3.3882	3.3919	3.8706
C2	1.3959		2.4146	1.3944	2.7875	2.4134	2.7324	1.7324	3.3882	2.1384	3.8706	3.3919
C3	1.3944	2.4146		2.7840	1.3903	2.4110	2.6967	4.0222	1.0824	3.8663	2.1431	3.3950
C4	2.4146	1.3944	2.7840		2.4110	1.3903	4.0222	2.6967	3.8663	1.0824	3.3950	2.1431
C5	2.4134	2.7875	1.3903	2.4110		1.3936	3.9960	4.5196	2.1575	3.3987	1.0831	2.1550
C6	2.7875	2.4134	2.4110	1.3903	1.3936		4.5196	3.9960	3.3987	2.1575	2.1550	1.0831
Cl7	1.7324	2.7324	2.6967	4.0222	3.9960	4.5196		3.1988	2.8096	4.8706	4.8398	5.6027
Cl8	2.7324	1.7324	4.0222	2.6967	4.5196	3.9960	3.1988		4.8706	2.8096	5.6027	4.8398
H9	2.1384	3.3882	1.0824	3.8663	2.1575	3.3987	2.8096	4.8706		4.9485	2.4825	4.2996
H10	3.3882	2.1384	3.8663	1.0824	3.3987	2.1575	4.8706	2.8096	4.9485		4.2996	2.4825
H11	3.3919	3.8706	2.1431	3.3950	1.0831	2.1550	4.8398	5.6027	2.4825	4.2996		2.4905
H12	3.8706	3.3919	3.3950	2.1431	2.1550	1.0831	5.6027	4.8398	4.2996	2.4825	2.4905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.851	C1	C2	Cl8	121.357
C1	C3	C5	120.148	C1	C3	H9	118.853
C2	C1	C3	119.851	C2	C1	Cl7	121.357
C2	C4	C6	120.148	C2	C4	H10	118.853
C3	C1	Cl7	118.792	C3	C5	C6	120.001
C3	C5	H11	119.579	C4	C2	Cl8	118.792
C4	C6	C5	120.001	C4	C6	H12	119.579
C5	C3	H9	120.998	C5	C6	H12	120.421
C6	C4	H10	120.998	C6	C5	H11	120.421

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

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

States and conformations

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