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	hartrees
Energy at 0K	-64.635435
Energy at 298.15K	-64.639990
HF Energy	-64.635435
Nuclear repulsion energy	163.065301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3396	3068	0.00
2	A_g	1754	1585	0.00
3	A_g	1278	1155	0.00
4	A_g	1181	1067	0.00
5	A_g	806	728	0.00
6	A_g	351	317	0.00
7	A_u	1098	992	0.00
8	A_u	454	410	0.00
9	B_1g	933	843	0.00
10	B_1u	3380	3053	3.96
11	B_1u	1630	1473	120.12
12	B_1u	1195	1080	131.79
13	B_1u	1094	988	52.67
14	B_1u	587	530	34.13
15	B_2g	1064	961	0.00
16	B_2g	738	667	0.00
17	B_2g	323	292	0.00
18	B_2u	3395	3067	9.81
19	B_2u	1520	1374	8.77
20	B_2u	1228	1109	4.52
21	B_2u	1148	1037	0.04
22	B_2u	233	211	1.32
23	B_3g	3381	3054	0.00
24	B_3g	1736	1569	0.00
25	B_3g	1419	1282	0.00
26	B_3g	679	613	0.00
27	B_3g	377	341	0.00
28	B_3u	930	840	75.77
29	B_3u	539	487	23.17
30	B_3u	112	101	0.58

Atom	y (Å)	z (Å)
C1	0.000	1.379
C2	0.000	-1.379
C3	1.210	0.696
C4	-1.210	0.696
C5	-1.210	-0.696
C6	1.210	-0.696
Cl7	0.000	3.129
Cl8	0.000	-3.129
H9	2.139	1.238
H10	-2.139	1.238
H11	-2.139	-1.238
H12	2.139	-1.238

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7586	1.3897	1.3897	2.4028	2.4028	1.7502	4.5087	2.1433	2.1433	3.3802	3.3802
C2	2.7586		2.4028	2.4028	1.3897	1.3897	4.5087	1.7502	3.3802	3.3802	2.1433	2.1433
C3	1.3897	2.4028		2.4208	2.7929	1.3928	2.7175	4.0128	1.0749	3.3926	3.8677	2.1459
C4	1.3897	2.4028	2.4208		1.3928	2.7929	2.7175	4.0128	3.3926	1.0749	2.1459	3.8677
C5	2.4028	1.3897	2.7929	1.3928		2.4208	4.0128	2.7175	3.8677	2.1459	1.0749	3.3926
C6	2.4028	1.3897	1.3928	2.7929	2.4208		4.0128	2.7175	2.1459	3.8677	3.3926	1.0749
Cl7	1.7502	4.5087	2.7175	2.7175	4.0128	4.0128		6.2589	2.8548	2.8548	4.8633	4.8633
Cl8	4.5087	1.7502	4.0128	4.0128	2.7175	2.7175	6.2589		4.8633	4.8633	2.8548	2.8548
H9	2.1433	3.3802	1.0749	3.3926	3.8677	2.1459	2.8548	4.8633		4.2773	4.9426	2.4767
H10	2.1433	3.3802	3.3926	1.0749	2.1459	3.8677	2.8548	4.8633	4.2773		2.4767	4.9426
H11	3.3802	2.1433	3.8677	2.1459	1.0749	3.3926	4.8633	2.8548	4.9426	2.4767		4.2773
H12	3.3802	2.1433	2.1459	3.8677	3.3926	1.0749	4.8633	2.8548	2.4767	4.9426	4.2773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.431	C1	C3	H9	120.291
C1	C4	C5	119.431	C1	C4	H10	120.291
C2	C5	C4	119.431	C2	C5	H11	120.291
C2	C6	C3	119.431	C2	C6	H12	120.291
C3	C1	C4	121.138	C3	C1	Cl7	119.431
C3	C6	H12	120.278	C4	C1	Cl7	119.431
C4	C5	H11	120.278	C5	C2	C6	121.138
C5	C2	Cl8	119.431	C5	C4	H10	120.278
C6	C2	Cl8	119.431	C6	C3	H9	120.278

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

using model chemistry: HF/CEP-121G*

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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Number	Element	Mulliken
1	C	0.131
2	C	0.131
3	C	-0.279
4	C	-0.279
5	C	-0.279
6	C	-0.279
7	Cl	-0.137
8	Cl	-0.137
9	H	0.282
10	H	0.282
11	H	0.282
12	H	0.282

<r²>	245.356
(<r²>)^1/2	15.664

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

using model chemistry: HF/CEP-121G*

States and conformations

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