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	hartrees
Energy at 0K	-1135.897468
Energy at 298.15K	-1135.901776
HF Energy	-1135.897468
Nuclear repulsion energy	446.500783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3751	3062	0.00
2	A_g	1912	1561	0.00
3	A_g	1354	1105	0.00
4	A_g	1332	1088	0.00
5	A_g	876	715	0.00
6	A_g	369	301	0.00
7	A_u	1178	962	0.00
8	A_u	476	389	0.00
9	B_1g	1007	822	0.00
10	B_1u	3728	3044	18.36
11	B_1u	1767	1443	111.06
12	B_1u	1313	1072	113.12
13	B_1u	1165	951	27.95
14	B_1u	635	518	18.11
15	B_2g	1151	940	0.00
16	B_2g	830	678	0.00
17	B_2g	340	277	0.00
18	B_2u	3748	3060	61.51
19	B_2u	1643	1342	10.14
20	B_2u	1287	1051	0.33
21	B_2u	1146	936	2.27
22	B_2u	232	189	5.39
23	B_3g	3736	3051	0.00
24	B_3g	1883	1537	0.00
25	B_3g	1502	1227	0.00
26	B_3g	719	587	0.00
27	B_3g	374	305	0.00
28	B_3u	985	804	33.91
29	B_3u	563	460	1.06
30	B_3u	118	96	3.57

Atom	y (Å)	z (Å)
C1	0.000	1.373
C2	0.000	-1.373
C3	1.212	0.693
C4	-1.212	0.693
C5	-1.212	-0.693
C6	1.212	-0.693
Cl7	0.000	3.153
Cl8	0.000	-3.153
H9	2.145	1.242
H10	-2.145	1.242
H11	-2.145	-1.242
H12	2.145	-1.242

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7458	1.3896	1.3896	2.3955	2.3955	1.7804	4.5262	2.1493	2.1493	3.3826	3.3826
C2	2.7458		2.3955	2.3955	1.3896	1.3896	4.5262	1.7804	3.3826	3.3826	2.1493	2.1493
C3	1.3896	2.3955		2.4242	2.7927	1.3866	2.7424	4.0330	1.0828	3.4020	3.8754	2.1489
C4	1.3896	2.3955	2.4242		1.3866	2.7927	2.7424	4.0330	3.4020	1.0828	2.1489	3.8754
C5	2.3955	1.3896	2.7927	1.3866		2.4242	4.0330	2.7424	3.8754	2.1489	1.0828	3.4020
C6	2.3955	1.3896	1.3866	2.7927	2.4242		4.0330	2.7424	2.1489	3.8754	3.4020	1.0828
Cl7	1.7804	4.5262	2.7424	2.7424	4.0330	4.0330		6.3066	2.8729	2.8729	4.8913	4.8913
Cl8	4.5262	1.7804	4.0330	4.0330	2.7424	2.7424	6.3066		4.8913	4.8913	2.8729	2.8729
H9	2.1493	3.3826	1.0828	3.4020	3.8754	2.1489	2.8729	4.8913		4.2906	4.9582	2.4849
H10	2.1493	3.3826	3.4020	1.0828	2.1489	3.8754	2.8729	4.8913	4.2906		2.4849	4.9582
H11	3.3826	2.1493	3.8754	2.1489	1.0828	3.4020	4.8913	2.8729	4.9582	2.4849		4.2906
H12	3.3826	2.1493	2.1489	3.8754	3.4020	1.0828	4.8913	2.8729	2.4849	4.9582	4.2906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.279	C1	C3	H9	120.246
C1	C4	C5	119.279	C1	C4	H10	120.246
C2	C5	C4	119.279	C2	C5	H11	120.246
C2	C6	C3	119.279	C2	C6	H12	120.246
C3	C1	C4	121.441	C3	C1	Cl7	119.279
C3	C6	H12	120.475	C4	C1	Cl7	119.279
C4	C5	H11	120.475	C5	C2	C6	121.441
C5	C2	Cl8	119.279	C5	C4	H10	120.475
C6	C2	Cl8	119.279	C6	C3	H9	120.475

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

using model chemistry: HF/STO-3G

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	0.050
2	C	0.050
3	C	-0.048
4	C	-0.048
5	C	-0.048
6	C	-0.048
7	Cl	-0.143
8	Cl	-0.143
9	H	0.094
10	H	0.094
11	H	0.094
12	H	0.094

<r²>	469.123
(<r²>)^1/2	21.659

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

using model chemistry: HF/STO-3G

States and conformations

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