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	hartrees
Energy at 0K	-1149.802197
Energy at 298.15K
HF Energy	-1148.612514
Nuclear repulsion energy	447.121404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3230	3108
2	A_g	1622	1561
3	A_g	1200	1155
4	A_g	1110	1068
5	A_g	754	726
6	A_g	327	315
7	A_u	662	637
8	A_u	94i	90i
9	B_1g	722	695
10	B_1u	3213	3093
11	B_1u	1514	1457
12	B_1u	1112	1071
13	B_1u	1006	968
14	B_1u	546	526
15	B_2g	749	721
16	B_2g	224	216
17	B_2g	1460i	1405i
18	B_2u	3228	3107
19	B_2u	1419	1366
20	B_2u	1284	1236
21	B_2u	1123	1080
22	B_2u	217	209
23	B_3g	3214	3094
24	B_3g	1612	1551
25	B_3g	1317	1268
26	B_3g	632	609
27	B_3g	346	333
28	B_3u	663	638
29	B_3u	240	231
30	B_3u	153	147

Atom	y (Å)	z (Å)
C1	0.000	1.385
C2	0.000	-1.385
C3	1.214	0.698
C4	-1.214	0.698
C5	-1.214	-0.698
C6	1.214	-0.698
Cl7	0.000	3.142
Cl8	0.000	-3.142
H9	2.149	1.246
H10	-2.149	1.246
H11	-2.149	-1.246
H12	2.149	-1.246

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7703	1.3949	1.3949	2.4115	2.4115	1.7564	4.5268	2.1533	2.1533	3.3974	3.3974
C2	2.7703		2.4115	2.4115	1.3949	1.3949	4.5268	1.7564	3.3974	3.3974	2.1533	2.1533
C3	1.3949	2.4115		2.4283	2.8013	1.3968	2.7282	4.0274	1.0835	3.4073	3.8848	2.1577
C4	1.3949	2.4115	2.4283		1.3968	2.8013	2.7282	4.0274	3.4073	1.0835	2.1577	3.8848
C5	2.4115	1.3949	2.8013	1.3968		2.4283	4.0274	2.7282	3.8848	2.1577	1.0835	3.4073
C6	2.4115	1.3949	1.3968	2.8013	2.4283		4.0274	2.7282	2.1577	3.8848	3.4073	1.0835
Cl7	1.7564	4.5268	2.7282	2.7282	4.0274	4.0274		6.2832	2.8652	2.8652	4.8858	4.8858
Cl8	4.5268	1.7564	4.0274	4.0274	2.7282	2.7282	6.2832		4.8858	4.8858	2.8652	2.8652
H9	2.1533	3.3974	1.0835	3.4073	3.8848	2.1577	2.8652	4.8858		4.2976	4.9682	2.4927
H10	2.1533	3.3974	3.4073	1.0835	2.1577	3.8848	2.8652	4.8858	4.2976		2.4927	4.9682
H11	3.3974	2.1533	3.8848	2.1577	1.0835	3.4073	4.8858	2.8652	4.9682	2.4927		4.2976
H12	3.3974	2.1533	2.1577	3.8848	3.4073	1.0835	4.8858	2.8652	2.4927	4.9682	4.2976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.494	C1	C3	H9	120.127
C1	C4	C5	119.494	C1	C4	H10	120.127
C2	C5	C4	119.494	C2	C5	H11	120.127
C2	C6	C3	119.494	C2	C6	H12	120.127
C3	C1	C4	121.012	C3	C1	Cl7	119.494
C3	C6	H12	120.379	C4	C1	Cl7	119.494
C4	C5	H11	120.379	C5	C2	C6	121.012
C5	C2	Cl8	119.494	C5	C4	H10	120.379
C6	C2	Cl8	119.494	C6	C3	H9	120.379

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

using model chemistry: CCSD(T)/TZVP

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)/TZVP

States and conformations

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