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	hartrees
Energy at 0K	-1148.561324
Energy at 298.15K	-1148.565944
HF Energy	-1148.561324
Nuclear repulsion energy	450.126958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3392	3080	0.00
2	A_g	1781	1617	0.00
3	A_g	1275	1157	0.00
4	A_g	1195	1086	0.00
5	A_g	808	733	0.00
6	A_g	353	321	0.00
7	A_u	1087	987	0.00
8	A_u	457	415	0.00
9	B_1g	923	838	0.00
10	B_1u	3375	3064	1.55
11	B_1u	1634	1484	122.28
12	B_1u	1195	1085	107.57
13	B_1u	1098	997	52.12
14	B_1u	584	531	37.23
15	B_2g	1064	966	0.00
16	B_2g	769	698	0.00
17	B_2g	325	295	0.00
18	B_2u	3391	3079	2.38
19	B_2u	1531	1390	9.60
20	B_2u	1259	1144	2.59
21	B_2u	1177	1069	2.04
22	B_2u	236	214	1.31
23	B_3g	3376	3066	0.00
24	B_3g	1765	1603	0.00
25	B_3g	1410	1281	0.00
26	B_3g	687	624	0.00
27	B_3g	381	346	0.00
28	B_3u	927	842	55.82
29	B_3u	543	493	19.92
30	B_3u	112	102	0.75

Atom	y (Å)	z (Å)
C1	0.000	1.376
C2	0.000	-1.376
C3	1.205	0.693
C4	-1.205	0.693
C5	-1.205	-0.693
C6	1.205	-0.693
Cl7	0.000	3.121
Cl8	0.000	-3.121
H9	2.137	1.238
H10	-2.137	1.238
H11	-2.137	-1.238
H12	2.137	-1.238

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7512	1.3848	1.3848	2.3943	2.3943	1.7452	4.4964	2.1416	2.1416	3.3763	3.3763
C2	2.7512		2.3943	2.3943	1.3848	1.3848	4.4964	1.7452	3.3763	3.3763	2.1416	2.1416
C3	1.3848	2.3943		2.4102	2.7806	1.3867	2.7101	4.0000	1.0797	3.3864	3.8603	2.1447
C4	1.3848	2.3943	2.4102		1.3867	2.7806	2.7101	4.0000	3.3864	1.0797	2.1447	3.8603
C5	2.3943	1.3848	2.7806	1.3867		2.4102	4.0000	2.7101	3.8603	2.1447	1.0797	3.3864
C6	2.3943	1.3848	1.3867	2.7806	2.4102		4.0000	2.7101	2.1447	3.8603	3.3864	1.0797
Cl7	1.7452	4.4964	2.7101	2.7101	4.0000	4.0000		6.2416	2.8481	2.8481	4.8547	4.8547
Cl8	4.4964	1.7452	4.0000	4.0000	2.7101	2.7101	6.2416		4.8547	4.8547	2.8481	2.8481
H9	2.1416	3.3763	1.0797	3.3864	3.8603	2.1447	2.8481	4.8547		4.2744	4.9399	2.4763
H10	2.1416	3.3763	3.3864	1.0797	2.1447	3.8603	2.8481	4.8547	4.2744		2.4763	4.9399
H11	3.3763	2.1416	3.8603	2.1447	1.0797	3.3864	4.8547	2.8481	4.9399	2.4763		4.2744
H12	3.3763	2.1416	2.1447	3.8603	3.3864	1.0797	4.8547	2.8481	2.4763	4.9399	4.2744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.515	C1	C3	H9	120.181
C1	C4	C5	119.515	C1	C4	H10	120.181
C2	C5	C4	119.515	C2	C5	H11	120.181
C2	C6	C3	119.515	C2	C6	H12	120.181
C3	C1	C4	120.970	C3	C1	Cl7	119.515
C3	C6	H12	120.304	C4	C1	Cl7	119.515
C4	C5	H11	120.304	C5	C2	C6	120.970
C5	C2	Cl8	119.515	C5	C4	H10	120.304
C6	C2	Cl8	119.515	C6	C3	H9	120.304

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

using model chemistry: HF/cc-pVDZ

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	-0.196
2	C	-0.196
3	C	0.098
4	C	0.098
5	C	0.098
6	C	0.098
7	Cl	-0.094
8	Cl	-0.094
9	H	0.047
10	H	0.047
11	H	0.047
12	H	0.047

<r²>	462.809
(<r²>)^1/2	21.513

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

using model chemistry: HF/cc-pVDZ

States and conformations

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