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	hartrees
Energy at 0K	-1149.663914
Energy at 298.15K	-1149.667890
HF Energy	-1148.499779
Nuclear repulsion energy	447.459249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3218	3124
2	A_g	1652	1603
3	A_g	1217	1182
4	A_g	1128	1095
5	A_g	764	742
6	A_g	331	322
7	A_u	898	871
8	A_u	405	393
9	B_1g	812	788
10	B_1u	3204	3110
11	B_1u	1532	1487
12	B_1u	1131	1098
13	B_1u	1026	995
14	B_1u	556	540
15	B_2g	865	840
16	B_2g	543	527
17	B_2g	293	284
18	B_2u	3217	3123
19	B_2u	1439	1397
20	B_2u	1316	1277
21	B_2u	1140	1107
22	B_2u	223	216
23	B_3g	3204	3110
24	B_3g	1635	1587
25	B_3g	1325	1286
26	B_3g	639	620
27	B_3g	356	345
28	B_3u	792	769
29	B_3u	475	461
30	B_3u	103	100

Atom	y (Å)	z (Å)
C1	0.000	1.388
C2	0.000	-1.388
C3	1.216	0.699
C4	-1.216	0.699
C5	-1.216	-0.699
C6	1.216	-0.699
Cl7	0.000	3.134
Cl8	0.000	-3.134
H9	2.155	1.250
H10	-2.155	1.250
H11	-2.155	-1.250
H12	2.155	-1.250

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7764	1.3976	1.3976	2.4155	2.4155	1.7463	4.5227	2.1597	2.1597	3.4064	3.4064
C2	2.7764		2.4155	2.4155	1.3976	1.3976	4.5227	1.7463	3.4064	3.4064	2.1597	2.1597
C3	1.3976	2.4155		2.4318	2.8050	1.3980	2.7221	4.0217	1.0889	3.4158	3.8939	2.1633
C4	1.3976	2.4155	2.4318		1.3980	2.8050	2.7221	4.0217	3.4158	1.0889	2.1633	3.8939
C5	2.4155	1.3976	2.8050	1.3980		2.4318	4.0217	2.7221	3.8939	2.1633	1.0889	3.4158
C6	2.4155	1.3976	1.3980	2.8050	2.4318		4.0217	2.7221	2.1633	3.8939	3.4158	1.0889
Cl7	1.7463	4.5227	2.7221	2.7221	4.0217	4.0217		6.2690	2.8631	2.8631	4.8853	4.8853
Cl8	4.5227	1.7463	4.0217	4.0217	2.7221	2.7221	6.2690		4.8853	4.8853	2.8631	2.8631
H9	2.1597	3.4064	1.0889	3.4158	3.8939	2.1633	2.8631	4.8853		4.3105	4.9827	2.4995
H10	2.1597	3.4064	3.4158	1.0889	2.1633	3.8939	2.8631	4.8853	4.3105		2.4995	4.9827
H11	3.4064	2.1597	3.8939	2.1633	1.0889	3.4158	4.8853	2.8631	4.9827	2.4995		4.3105
H12	3.4064	2.1597	2.1633	3.8939	3.4158	1.0889	4.8853	2.8631	2.4995	4.9827	4.3105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.544	C1	C3	H9	120.073
C1	C4	C5	119.544	C1	C4	H10	120.073
C2	C5	C4	119.544	C2	C5	H11	120.073
C2	C6	C3	119.544	C2	C6	H12	120.073
C3	C1	C4	120.911	C3	C1	Cl7	119.544
C3	C6	H12	120.382	C4	C1	Cl7	119.544
C4	C5	H11	120.382	C5	C2	C6	120.911
C5	C2	Cl8	119.544	C5	C4	H10	120.382
C6	C2	Cl8	119.544	C6	C3	H9	120.382

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

using model chemistry: CCSD(T)=FULL/6-31G*

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

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

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