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	hartrees
Energy at 0K	-1150.871954
Energy at 298.15K	-1150.876127
HF Energy	-1150.516095
Nuclear repulsion energy	468.237518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3086	5.29
2	A₁	3239	3072	7.82
3	A₁	1638	1553	3.03
4	A₁	1516	1438	60.52
5	A₁	1359	1289	0.91
6	A₁	1207	1145	0.40
7	A₁	1167	1107	43.88
8	A₁	1072	1017	7.79
9	A₁	677	642	15.67
10	A₁	485	460	7.30
11	A₁	204	194	0.01
12	A₂	957	908	0.00
13	A₂	860	816	0.00
14	A₂	661	627	0.00
15	A₂	516	490	0.00
16	A₂	138	131	0.00
17	B₁	936	887	1.72
18	B₁	767	727	58.66
19	B₁	447	424	3.45
20	B₁	236	224	0.63
21	B₂	3250	3082	4.19
22	B₂	3227	3060	1.38
23	B₂	1647	1562	6.83
24	B₂	1486	1409	18.57
25	B₂	1298	1231	3.44
26	B₂	1169	1109	2.32
27	B₂	1051	997	38.58
28	B₂	757	718	18.41
29	B₂	434	412	0.63
30	B₂	342	324	0.20

Atom	y (Å)	z (Å)
C1	0.700	-0.029
C2	-0.700	-0.029
C3	1.393	1.183
C4	-1.393	1.183
C5	0.697	2.389
C6	-0.697	2.389
Cl7	1.608	-1.514
Cl8	-1.608	-1.514
H9	2.477	1.166
H10	-2.477	1.166
H11	1.247	3.324
H12	-1.247	3.324

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3999	1.3963	2.4188	2.4178	2.7926	1.7408	2.7446	2.1414	3.3941	3.3971	3.8771
C2	1.3999		2.4188	1.3963	2.7926	2.4178	2.7446	1.7408	3.3941	2.1414	3.8771	3.3971
C3	1.3963	2.4188		2.7867	1.3922	2.4136	2.7056	4.0353	1.0837	3.8702	2.1457	3.3992
C4	2.4188	1.3963	2.7867		2.4136	1.3922	4.0353	2.7056	3.8702	1.0837	3.3992	2.1457
C5	2.4178	2.7926	1.3922	2.4136		1.3949	4.0078	4.5331	2.1591	3.4017	1.0845	2.1576
C6	2.7926	2.4178	2.4136	1.3922	1.3949		4.5331	4.0078	3.4017	2.1591	2.1576	1.0845
Cl7	1.7408	2.7446	2.7056	4.0353	4.0078	4.5331		3.2164	2.8174	4.8857	4.8513	5.6176
Cl8	2.7446	1.7408	4.0353	2.7056	4.5331	4.0078	3.2164		4.8857	2.8174	5.6176	4.8513
H9	2.1414	3.3941	1.0837	3.8702	2.1591	3.4017	2.8174	4.8857		4.9537	2.4836	4.3039
H10	3.3941	2.1414	3.8702	1.0837	3.4017	2.1591	4.8857	2.8174	4.9537		4.3039	2.4836
H11	3.3971	3.8771	2.1457	3.3992	1.0845	2.1576	4.8513	5.6176	2.4836	4.3039		2.4942
H12	3.8771	3.3971	3.3992	2.1457	2.1576	1.0845	5.6176	4.8513	4.3039	2.4836	2.4942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.775	C1	C2	Cl8	121.448
C1	C3	C5	120.237	C1	C3	H9	118.878
C2	C1	C3	119.775	C2	C1	Cl7	121.448
C2	C4	C6	120.237	C2	C4	H10	118.878
C3	C1	Cl7	118.777	C3	C5	C6	119.988
C3	C5	H11	119.560	C4	C2	Cl8	118.777
C4	C6	C5	119.988	C4	C6	H12	119.560
C5	C3	H9	120.885	C5	C6	H12	120.452
C6	C4	H10	120.885	C6	C5	H11	120.452

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

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

States and conformations

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