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	hartrees
Energy at 0K	-1148.970293
Energy at 298.15K	-1148.974045
HF Energy	-1148.359605
Nuclear repulsion energy	435.008381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3222	3110	0.00
2	A_g	1577	1522	0.00
3	A_g	1213	1171	0.00
4	A_g	1065	1028	0.00
5	A_g	720	695	0.00
6	A_g	309	298	0.00
7	A_u	851	821	0.00
8	A_u	401	387	0.00
9	B_1g	762	736	0.00
10	B_1u	3199	3088	1.44
11	B_1u	1482	1431	72.44
12	B_1u	1087	1049	62.24
13	B_1u	1021	986	74.13
14	B_1u	498	481	20.78
15	B_2g	838	809	0.00
16	B_2g	626	604	0.00
17	B_2g	268	259	0.00
18	B_2u	3219	3108	8.36
19	B_2u	1393	1345	2.94
20	B_2u	1347	1300	0.02
21	B_2u	1114	1076	6.29
22	B_2u	204	197	1.55
23	B_3g	3198	3087	0.00
24	B_3g	1582	1527	0.00
25	B_3g	1331	1284	0.00
26	B_3g	635	613	0.00
27	B_3g	333	322	0.00
28	B_3u	738	712	89.74
29	B_3u	461	445	24.70
30	B_3u	92	89	0.53

Atom	y (Å)	z (Å)
C1	0.000	1.404
C2	0.000	-1.404
C3	1.240	0.712
C4	-1.240	0.712
C5	-1.240	-0.712
C6	1.240	-0.712
Cl7	0.000	3.245
Cl8	0.000	-3.245
H9	2.183	1.263
H10	-2.183	1.263
H11	-2.183	-1.263
H12	2.183	-1.263

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.8079	1.4200	1.4200	2.4528	2.4528	1.8415	4.6494	2.1880	2.1880	3.4466	3.4466
C2	2.8079		2.4528	2.4528	1.4200	1.4200	4.6494	1.8415	3.4466	3.4466	2.1880	2.1880
C3	1.4200	2.4528		2.4802	2.8602	1.4245	2.8204	4.1474	1.0923	3.4676	3.9524	2.1888
C4	1.4200	2.4528	2.4802		1.4245	2.8602	2.8204	4.1474	3.4676	1.0923	2.1888	3.9524
C5	2.4528	1.4200	2.8602	1.4245		2.4802	4.1474	2.8204	3.9524	2.1888	1.0923	3.4676
C6	2.4528	1.4200	1.4245	2.8602	2.4802		4.1474	2.8204	2.1888	3.9524	3.4676	1.0923
Cl7	1.8415	4.6494	2.8204	2.8204	4.1474	4.1474		6.4908	2.9493	2.9493	5.0092	5.0092
Cl8	4.6494	1.8415	4.1474	4.1474	2.8204	2.8204	6.4908		5.0092	5.0092	2.9493	2.9493
H9	2.1880	3.4466	1.0923	3.4676	3.9524	2.1888	2.9493	5.0092		4.3669	5.0447	2.5257
H10	2.1880	3.4466	3.4676	1.0923	2.1888	3.9524	2.9493	5.0092	4.3669		2.5257	5.0447
H11	3.4466	2.1880	3.9524	2.1888	1.0923	3.4676	5.0092	2.9493	5.0447	2.5257		4.3669
H12	3.4466	2.1880	2.1888	3.9524	3.4676	1.0923	5.0092	2.9493	2.5257	5.0447	4.3669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.152	C1	C3	H9	120.579
C1	C4	C5	119.152	C1	C4	H10	120.579
C2	C5	C4	119.152	C2	C5	H11	120.579
C2	C6	C3	119.152	C2	C6	H12	120.579
C3	C1	C4	121.697	C3	C1	Cl7	119.152
C3	C6	H12	120.269	C4	C1	Cl7	119.152
C4	C5	H11	120.269	C5	C2	C6	121.697
C5	C2	Cl8	119.152	C5	C4	H10	120.269
C6	C2	Cl8	119.152	C6	C3	H9	120.269

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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