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	hartrees
Energy at 0K	-259.430118
Energy at 298.15K	-259.433947
HF Energy	-258.852661
Nuclear repulsion energy	280.543430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3223	3104	0.00
2	A_g	1582	1524	0.00
3	A_g	1214	1169	0.00
4	A_g	1069	1029	0.00
5	A_g	722	696	0.00
6	A_g	311	299	0.00
7	A_u	860	828	0.00
8	A_u	403	388	0.00
9	B_1g	778	749	0.00
10	B_1u	3198	3080	1.76
11	B_1u	1486	1432	74.12
12	B_1u	1091	1050	62.18
13	B_1u	1020	983	68.04
14	B_1u	503	484	21.46
15	B_2g	845	814	0.00
16	B_2g	639	615	0.00
17	B_2g	283	273	0.00
18	B_2u	3220	3102	9.42
19	B_2u	1396	1345	2.47
20	B_2u	1348	1298	0.01
21	B_2u	1117	1076	6.24
22	B_2u	205	197	1.81
23	B_3g	3198	3080	0.00
24	B_3g	1583	1525	0.00
25	B_3g	1329	1280	0.00
26	B_3g	634	611	0.00
27	B_3g	335	322	0.00
28	B_3u	770	741	83.96
29	B_3u	473	456	30.63
30	B_3u	95	92	0.66

Atom	y (Å)	z (Å)
C1	0.000	1.406
C2	0.000	-1.406
C3	1.239	0.712
C4	-1.239	0.712
C5	-1.239	-0.712
C6	1.239	-0.712
Cl7	0.000	3.237
Cl8	0.000	-3.237
H9	2.183	1.262
H10	-2.183	1.262
H11	-2.183	-1.262
H12	2.183	-1.262

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.8128	1.4201	1.4201	2.4542	2.4542	1.8309	4.6437	2.1875	2.1875	3.4478	3.4478
C2	2.8128		2.4542	2.4542	1.4201	1.4201	4.6437	1.8309	3.4478	3.4478	2.1875	2.1875
C3	1.4201	2.4542		2.4777	2.8580	1.4243	2.8127	4.1392	1.0926	3.4656	3.9505	2.1886
C4	1.4201	2.4542	2.4777		1.4243	2.8580	2.8127	4.1392	3.4656	1.0926	2.1886	3.9505
C5	2.4542	1.4201	2.8580	1.4243		2.4777	4.1392	2.8127	3.9505	2.1886	1.0926	3.4656
C6	2.4542	1.4201	1.4243	2.8580	2.4777		4.1392	2.8127	2.1886	3.9505	3.4656	1.0926
Cl7	1.8309	4.6437	2.8127	2.8127	4.1392	4.1392		6.4746	2.9435	2.9435	5.0012	5.0012
Cl8	4.6437	1.8309	4.1392	4.1392	2.8127	2.8127	6.4746		5.0012	5.0012	2.9435	2.9435
H9	2.1875	3.4478	1.0926	3.4656	3.9505	2.1886	2.9435	5.0012		4.3655	5.0431	2.5249
H10	2.1875	3.4478	3.4656	1.0926	2.1886	3.9505	2.9435	5.0012	4.3655		2.5249	5.0431
H11	3.4478	2.1875	3.9505	2.1886	1.0926	3.4656	5.0012	2.9435	5.0431	2.5249		4.3655
H12	3.4478	2.1875	2.1886	3.9505	3.4656	1.0926	5.0012	2.9435	2.5249	5.0431	4.3655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.265	C1	C3	H9	120.492
C1	C4	C5	119.265	C1	C4	H10	120.492
C2	C5	C4	119.265	C2	C5	H11	120.492
C2	C6	C3	119.265	C2	C6	H12	120.492
C3	C1	C4	121.470	C3	C1	Cl7	119.265
C3	C6	H12	120.243	C4	C1	Cl7	119.265
C4	C5	H11	120.243	C5	C2	C6	121.470
C5	C2	Cl8	119.265	C5	C4	H10	120.243
C6	C2	Cl8	119.265	C6	C3	H9	120.243

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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