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	hartrees
Energy at 0K	-64.613669
Energy at 298.15K	-64.618183
HF Energy	-64.613669
Nuclear repulsion energy	162.117978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3426	3076	0.00
2	A_g	1783	1601	0.00
3	A_g	1278	1147	0.00
4	A_g	1198	1075	0.00
5	A_g	802	721	0.00
6	A_g	348	312	0.00
7	A_u	1107	994	0.00
8	A_u	447	401	0.00
9	B_1g	953	856	0.00
10	B_1u	3405	3058	4.94
11	B_1u	1635	1468	122.16
12	B_1u	1200	1078	107.20
13	B_1u	1080	970	76.91
14	B_1u	586	526	34.87
15	B_2g	1079	969	0.00
16	B_2g	728	653	0.00
17	B_2g	322	290	0.00
18	B_2u	3425	3076	11.86
19	B_2u	1531	1375	6.35
20	B_2u	1284	1153	2.47
21	B_2u	1183	1063	1.75
22	B_2u	232	209	1.28
23	B_3g	3407	3060	0.00
24	B_3g	1772	1591	0.00
25	B_3g	1414	1269	0.00
26	B_3g	668	600	0.00
27	B_3g	373	335	0.00
28	B_3u	953	856	69.63
29	B_3u	530	476	27.62
30	B_3u	112	101	0.61

Atom	y (Å)	z (Å)
C1	0.000	1.390
C2	0.000	-1.390
C3	1.222	0.702
C4	-1.222	0.702
C5	-1.222	-0.702
C6	1.222	-0.702
Cl7	0.000	3.140
Cl8	0.000	-3.140
H9	2.152	1.246
H10	-2.152	1.246
H11	-2.152	-1.246
H12	2.152	-1.246

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7792	1.4026	1.4026	2.4225	2.4225	1.7508	4.5300	2.1571	2.1571	3.4030	3.4030
C2	2.7792		2.4225	2.4225	1.4026	1.4026	4.5300	1.7508	3.4030	3.4030	2.1571	2.1571
C3	1.4026	2.4225		2.4448	2.8192	1.4038	2.7278	4.0321	1.0775	3.4184	3.8967	2.1587
C4	1.4026	2.4225	2.4448		1.4038	2.8192	2.7278	4.0321	3.4184	1.0775	2.1587	3.8967
C5	2.4225	1.4026	2.8192	1.4038		2.4448	4.0321	2.7278	3.8967	2.1587	1.0775	3.4184
C6	2.4225	1.4026	1.4038	2.8192	2.4448		4.0321	2.7278	2.1587	3.8967	3.4184	1.0775
Cl7	1.7508	4.5300	2.7278	2.7278	4.0321	4.0321		6.2808	2.8672	2.8672	4.8862	4.8862
Cl8	4.5300	1.7508	4.0321	4.0321	2.7278	2.7278	6.2808		4.8862	4.8862	2.8672	2.8672
H9	2.1571	3.4030	1.0775	3.4184	3.8967	2.1587	2.8672	4.8862		4.3047	4.9742	2.4924
H10	2.1571	3.4030	3.4184	1.0775	2.1587	3.8967	2.8672	4.8862	4.3047		2.4924	4.9742
H11	3.4030	2.1571	3.8967	2.1587	1.0775	3.4184	4.8862	2.8672	4.9742	2.4924		4.3047
H12	3.4030	2.1571	2.1587	3.8967	3.4184	1.0775	4.8862	2.8672	2.4924	4.9742	4.3047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.362	C1	C3	H9	120.299
C1	C4	C5	119.362	C1	C4	H10	120.299
C2	C5	C4	119.362	C2	C5	H11	120.299
C2	C6	C3	119.362	C2	C6	H12	120.299
C3	C1	C4	121.276	C3	C1	Cl7	119.362
C3	C6	H12	120.339	C4	C1	Cl7	119.362
C4	C5	H11	120.339	C5	C2	C6	121.276
C5	C2	Cl8	119.362	C5	C4	H10	120.339
C6	C2	Cl8	119.362	C6	C3	H9	120.339

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.237
2	C	-0.237
3	C	-0.149
4	C	-0.149
5	C	-0.149
6	C	-0.149
7	Cl	-0.091
8	Cl	-0.091
9	H	0.313
10	H	0.313
11	H	0.313
12	H	0.313

<r²>	247.461
(<r²>)^1/2	15.731

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

using model chemistry: HF/CEP-31G*

States and conformations

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