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	hartrees
Energy at 0K	-1151.048339
Energy at 298.15K	-1151.052476
HF Energy	-1150.622561
Nuclear repulsion energy	448.475744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3234	3234	0.00
2	A_g	1626	1626	0.00
3	A_g	1202	1202	0.00
4	A_g	1115	1115	0.00
5	A_g	760	760	0.00
6	A_g	332	332	0.00
7	A_u	955	955	0.00
8	A_u	417	417	0.00
9	B_1g	823	823	0.00
10	B_1u	3219	3219	1.12
11	B_1u	1513	1513	107.65
12	B_1u	1114	1114	111.93
13	B_1u	1026	1026	60.18
14	B_1u	551	551	33.57
15	B_2g	920	920	0.00
16	B_2g	634	634	0.00
17	B_2g	292	292	0.00
18	B_2u	3232	3232	1.83
19	B_2u	1427	1427	6.61
20	B_2u	1335	1335	0.00
21	B_2u	1128	1128	4.08
22	B_2u	221	221	0.54
23	B_3g	3220	3220	0.00
24	B_3g	1621	1621	0.00
25	B_3g	1321	1321	0.00
26	B_3g	640	640	0.00
27	B_3g	357	357	0.00
28	B_3u	814	814	54.23
29	B_3u	485	485	24.40
30	B_3u	101	101	0.43

Atom	y (Å)	z (Å)
C1	0.000	1.383
C2	0.000	-1.383
C3	1.211	0.696
C4	-1.211	0.696
C5	-1.211	-0.696
C6	1.211	-0.696
Cl7	0.000	3.131
Cl8	0.000	-3.131
H9	2.145	1.243
H10	-2.145	1.243
H11	-2.145	-1.243
H12	2.145	-1.243

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7655	1.3923	1.3923	2.4064	2.4064	1.7478	4.5133	2.1495	2.1495	3.3906	3.3906
C2	2.7655		2.4064	2.4064	1.3923	1.3923	4.5133	1.7478	3.3906	3.3906	2.1495	2.1495
C3	1.3923	2.4064		2.4228	2.7947	1.3930	2.7188	4.0142	1.0819	3.4006	3.8765	2.1526
C4	1.3923	2.4064	2.4228		1.3930	2.7947	2.7188	4.0142	3.4006	1.0819	2.1526	3.8765
C5	2.4064	1.3923	2.7947	1.3930		2.4228	4.0142	2.7188	3.8765	2.1526	1.0819	3.4006
C6	2.4064	1.3923	1.3930	2.7947	2.4228		4.0142	2.7188	2.1526	3.8765	3.4006	1.0819
Cl7	1.7478	4.5133	2.7188	2.7188	4.0142	4.0142		6.2611	2.8571	2.8571	4.8714	4.8714
Cl8	4.5133	1.7478	4.0142	4.0142	2.7188	2.7188	6.2611		4.8714	4.8714	2.8571	2.8571
H9	2.1495	3.3906	1.0819	3.4006	3.8765	2.1526	2.8571	4.8714		4.2900	4.9584	2.4863
H10	2.1495	3.3906	3.4006	1.0819	2.1526	3.8765	2.8571	4.8714	4.2900		2.4863	4.9584
H11	3.3906	2.1495	3.8765	2.1526	1.0819	3.4006	4.8714	2.8571	4.9584	2.4863		4.2900
H12	3.3906	2.1495	2.1526	3.8765	3.4006	1.0819	4.8714	2.8571	2.4863	4.9584	4.2900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.533	C1	C3	H9	120.117
C1	C4	C5	119.533	C1	C4	H10	120.117
C2	C5	C4	119.533	C2	C5	H11	120.117
C2	C6	C3	119.533	C2	C6	H12	120.117
C3	C1	C4	120.934	C3	C1	Cl7	119.533
C3	C6	H12	120.350	C4	C1	Cl7	119.533
C4	C5	H11	120.350	C5	C2	C6	120.934
C5	C2	Cl8	119.533	C5	C4	H10	120.350
C6	C2	Cl8	119.533	C6	C3	H9	120.350

All results from a given calculation for C₆H₄Cl₂ (1,4-dichlorobenzene)

using model chemistry: B2PLYP=FULL/6-311G**

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 (1,4-dichlorobenzene)

using model chemistry: B2PLYP=FULL/6-311G**

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,4-dichlorobenzene)